- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0
        0 quality=0.2 violation=1.5
 
    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 = 0.943, support = 3.35, residual support = 46.9:
      O   HA    MET   11 - HN    MET   11   2.74 +/- 0.20  83.999% * 92.0179% (0.95  10.0   3.37  47.37) =  98.715%  kept
          HA    ALA   12 - HN    MET   11   5.21 +/- 0.38  13.563% *  7.4109% (0.73   1.0   2.10  12.06) =   1.284%  kept
          HA    GLU-  14 - HN    MET   11  11.13 +/- 0.68   1.334% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    MET   11  20.34 +/- 4.77   0.386% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  27.58 +/- 3.83   0.116% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  31.05 +/- 5.71   0.115% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  29.46 +/- 4.99   0.099% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  35.82 +/- 5.51   0.053% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  28.70 +/- 5.41   0.122% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  34.20 +/- 6.04   0.065% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  31.53 +/- 5.45   0.085% *  0.0243% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  37.14 +/- 7.19   0.061% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.552, support = 2.84, residual support = 12.2:
      O   HA    ALA   12 - HN    ALA   12   2.81 +/- 0.06  38.084% * 68.6590% (0.71  10.0   2.38  12.35) =  58.619%  kept
      O   HA    MET   11 - HN    ALA   12   2.42 +/- 0.16  59.431% * 31.0568% (0.32  10.0   3.49  12.06) =  41.378%  kept
          HA    GLU-  14 - HN    ALA   12   7.74 +/- 0.96   2.216% *  0.0691% (0.72   1.0   0.02   0.02) =   0.003%
          HA    LEU  104 - HN    ALA   12  29.33 +/- 5.03   0.053% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  32.89 +/- 4.85   0.029% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.48 +/- 2.94   0.060% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  29.51 +/- 4.56   0.046% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  27.42 +/- 4.41   0.057% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  34.39 +/- 4.22   0.025% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.137, support = 1.71, residual support = 5.18:
      O   HA    ALA   12 - HN    SER   13   2.64 +/- 0.43  84.753% * 87.2412% (0.14  10.0   1.71   5.15) =  97.829%  kept
          HA    GLU-  14 - HN    SER   13   4.96 +/- 0.54  14.744% * 11.1139% (0.20   1.0   1.49   6.61) =   2.168%  kept
          HA    TRP   87 - HN    SER   13  29.70 +/- 4.01   0.108% *  0.7373% (0.98   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    SER   13  25.57 +/- 2.58   0.174% *  0.3958% (0.53   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    SER   13  27.43 +/- 5.11   0.146% *  0.3958% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  31.40 +/- 4.19   0.076% *  0.1161% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.15:
      O   QB    SER   13 - HN    SER   13   2.89 +/- 0.34  92.760% * 99.5044% (0.87  10.0   2.06   6.15) =  99.991%  kept
          HB3   SER   37 - HN    SER   13  13.19 +/- 4.45   5.162% *  0.1124% (0.98   1.0   0.02   0.02) =   0.006%
          HB    THR   39 - HN    SER   13  14.68 +/- 4.90   1.777% *  0.1029% (0.90   1.0   0.02   0.02) =   0.002%
          HB    THR  118 - HN    SER   13  29.11 +/- 3.32   0.108% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  30.85 +/- 3.09   0.088% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  31.07 +/- 4.63   0.104% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.46, residual support = 50.0:
      O   HA    GLN   17 - HN    VAL   18   2.57 +/- 0.13  91.343% * 99.5491% (0.81  10.0   5.46  50.03) =  99.996%  kept
          HA    GLU-  15 - HN    VAL   18   7.21 +/- 0.35   4.333% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    VAL   18  12.71 +/- 2.54   0.917% *  0.1100% (0.89   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  15.37 +/- 2.09   0.526% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  16.91 +/- 4.46   0.504% *  0.0911% (0.74   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    VAL   18  12.66 +/- 1.65   1.099% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  15.18 +/- 3.71   0.876% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.63 +/- 4.00   0.250% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  23.30 +/- 4.04   0.152% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.363, support = 5.55, residual support = 75.3:
      O   HA    VAL   18 - HN    VAL   18   2.86 +/- 0.04  85.982% * 86.2250% (0.36  10.0   5.58  76.22) =  98.801%  kept
          HA1   GLY   16 - HN    VAL   18   6.67 +/- 0.19   6.880% * 12.8970% (0.43   1.0   2.50   0.02) =   1.183%  kept
          HA    VAL   70 - HN    VAL   18   9.01 +/- 2.17   3.764% *  0.1993% (0.84   1.0   0.02   0.02) =   0.010%
          HB2   SER   37 - HN    VAL   18  13.12 +/- 2.31   1.207% *  0.1840% (0.77   1.0   0.02   0.02) =   0.003%
          HA    LYS+  33 - HN    VAL   18  15.04 +/- 2.25   0.764% *  0.1301% (0.55   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   18  15.75 +/- 2.19   0.854% *  0.0945% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   18  19.37 +/- 3.42   0.375% *  0.1993% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  24.00 +/- 4.28   0.174% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 2.1, residual support = 6.54:
      O   HA    SER   13 - HN    GLU-  14   2.49 +/- 0.28  82.586% * 89.6746% (0.67  10.0   2.09   6.61) =  98.569%  kept
          HA    GLU-  15 - HN    GLU-  14   5.06 +/- 0.40  10.820% *  9.8972% (0.67   1.0   2.21   1.75) =   1.425%  kept
          HA    SER   37 - HN    GLU-  14  12.55 +/- 3.68   2.341% *  0.0675% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    GLU-  14   9.74 +/- 1.14   2.214% *  0.0675% (0.51   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    GLU-  14  15.37 +/- 3.30   1.274% *  0.0776% (0.58   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  14  23.78 +/- 3.24   0.120% *  0.0879% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.40 +/- 2.82   0.133% *  0.0744% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.74 +/- 2.01   0.322% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  25.81 +/- 6.29   0.117% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  27.96 +/- 3.03   0.073% *  0.0143% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.52, residual support = 16.9:
          HN    GLN   17 - HN    GLY   16   2.45 +/- 0.11  95.892% * 86.5133% (0.13   3.53  16.90) =  99.936%  kept
          HN    THR   39 - HN    GLY   16   9.76 +/- 2.64   2.880% *  0.5593% (0.15   0.02   0.12) =   0.019%
          HN    TRP   27 - HN    GLY   16  14.76 +/- 2.13   0.626% *  2.4900% (0.67   0.02   0.02) =   0.019%
          HN    ALA   61 - HN    GLY   16  16.85 +/- 2.63   0.356% *  3.5929% (0.97   0.02   0.02) =   0.015%
          HE3   TRP   87 - HN    GLY   16  21.78 +/- 3.00   0.167% *  3.3462% (0.90   0.02   0.02) =   0.007%
          HN    ALA   91 - HN    GLY   16  27.04 +/- 3.14   0.078% *  3.4983% (0.94   0.02   0.02) =   0.003%
    Distance limit 4.45 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 = 3.53, residual support = 16.9:
        T HN    GLY   16 - HN    GLN   17   2.45 +/- 0.11  99.767% * 99.8536% (1.00 10.00   3.53  16.90) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  23.99 +/- 3.17   0.129% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  25.50 +/- 3.81   0.104% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.499, support = 2.09, residual support = 6.22:
      O   HA    GLU-  15 - HN    GLY   16   2.64 +/- 0.28  78.857% * 76.2328% (0.47  10.0   2.05   5.67) =  95.078%  kept
          HA    GLN   17 - HN    GLY   16   4.93 +/- 0.09  13.421% * 23.1343% (0.97   1.0   2.98  16.90) =   4.911%  kept
          HA    SER   37 - HN    GLY   16  10.67 +/- 2.61   1.825% *  0.1552% (0.97   1.0   0.02   0.02) =   0.004%
          HA    SER   13 - HN    GLY   16   8.96 +/- 0.73   3.059% *  0.0762% (0.47   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    GLY   16  10.86 +/- 2.43   1.659% *  0.0483% (0.30   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    GLY   16  14.15 +/- 2.36   0.575% *  0.1076% (0.67   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  21.73 +/- 3.33   0.172% *  0.1511% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  19.29 +/- 2.58   0.244% *  0.0702% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  26.15 +/- 4.30   0.187% *  0.0242% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.782, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.65 +/- 0.24  38.172% * 12.6997% (0.90   0.02   0.02) =  46.983%  kept
          HA    LYS+  33 - HN    GLY   16  11.26 +/- 3.27  17.125% * 10.5138% (0.75   0.02   0.02) =  17.449%  kept
          HA    VAL   70 - HN    GLY   16   8.75 +/- 2.69  25.272% *  6.1679% (0.44   0.02   0.02) =  15.107%  kept
          HA    GLU-  29 - HN    GLY   16  14.05 +/- 3.40   9.284% * 12.3380% (0.87   0.02   0.02) =  11.101%  kept
          HA    GLN   32 - HN    GLY   16  13.86 +/- 2.95   6.173% *  9.4500% (0.67   0.02   0.02) =   5.654%  kept
          HA    SER   48 - HN    GLY   16  24.71 +/- 3.83   0.961% * 12.6997% (0.90   0.02   0.02) =   1.183%  kept
          HB2   SER   82 - HN    GLY   16  27.48 +/- 4.36   0.697% * 13.2768% (0.94   0.02   0.02) =   0.896%  kept
          HA    GLN  116 - HN    GLY   16  22.85 +/- 3.37   1.093% *  6.1679% (0.44   0.02   0.02) =   0.653%  kept
          HA    ALA   88 - HN    GLY   16  27.56 +/- 2.33   0.562% *  9.9899% (0.71   0.02   0.02) =   0.544%  kept
          HD2   PRO   52 - HN    GLY   16  26.95 +/- 2.93   0.662% *  6.6964% (0.47   0.02   0.02) =   0.430%  kept
    Distance limit 3.55 A violated in 18 structures by 2.39 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.974, support = 5.15, residual support = 81.8:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.02  51.941% * 95.6072% (0.99  10.0   5.27  84.59) =  96.682%  kept
          HA    GLU-  15 - HN    GLN   17   3.13 +/- 0.27  42.507% *  4.0030% (0.49   1.0   1.71   0.02) =   3.313%  kept
          HA    SER   37 - HN    GLN   17  12.32 +/- 2.44   0.953% *  0.0956% (0.99   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    GLN   17   9.41 +/- 0.94   1.812% *  0.0470% (0.49   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    GLN   17  11.51 +/- 2.40   1.607% *  0.0298% (0.31   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    GLN   17  13.78 +/- 2.44   0.581% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLN   17  20.24 +/- 3.68   0.190% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  18.04 +/- 2.84   0.279% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  24.79 +/- 4.03   0.130% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 84.6:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  99.631% * 99.1229% (0.70  10.0 10.00   1.00  84.59) =  99.999%  kept
        T HE21  GLN   17 - HE22  GLN   32  20.43 +/- 3.70   0.126% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN   17  23.32 +/- 6.24   0.061% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.79 +/- 4.82   0.059% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  28.65 +/- 4.05   0.027% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  30.60 +/- 4.43   0.023% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.87 +/- 3.76   0.048% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  29.34 +/- 3.60   0.024% *  0.0078% (0.05   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 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.6:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.706% * 99.4952% (0.63  10.0   1.00  84.59) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  20.02 +/- 4.39   0.099% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  20.43 +/- 3.70   0.126% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  24.38 +/- 3.50   0.045% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  29.88 +/- 4.61   0.023% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 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 = 0.281, support = 3.34, residual support = 21.5:
      O   HA1   GLY   16 - HN    GLN   17   3.27 +/- 0.08  66.466% * 63.2182% (0.22  10.0   3.26  16.90) =  86.088%  kept
          HA    VAL   18 - HN    GLN   17   4.98 +/- 0.18  19.085% * 35.4096% (0.65   1.0   3.86  50.03) =  13.846%  kept
          HA    VAL   70 - HN    GLN   17   8.71 +/- 2.35   5.304% *  0.2833% (1.00   1.0   0.02   0.02) =   0.031%
          HA    LYS+  33 - HN    GLN   17  12.48 +/- 2.82   2.336% *  0.2372% (0.84   1.0   0.02   0.02) =   0.011%
          HB2   SER   37 - HN    GLN   17  10.42 +/- 2.74   3.644% *  0.1494% (0.53   1.0   0.02   0.02) =   0.011%
          HA    GLU-  29 - HN    GLN   17  14.46 +/- 3.08   2.482% *  0.1951% (0.69   1.0   0.02   0.02) =   0.010%
          HA    GLN  116 - HN    GLN   17  21.91 +/- 3.28   0.271% *  0.2833% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   17  26.37 +/- 4.20   0.156% *  0.1608% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   17  23.05 +/- 4.21   0.256% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 2.38, residual support = 5.4:
          HA    LEU   73 - HN    ILE   19   3.96 +/- 4.36 100.000% *100.0000% (0.87   2.38   5.40) = 100.000%  kept
    Distance limit 3.74 A violated in 3 structures by 1.33 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.648, support = 4.82, residual support = 22.7:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.06  93.094% * 91.2010% (0.65  10.0   4.83  22.74) =  99.815%  kept
          HA    VAL   70 - HN    ILE   19   9.05 +/- 1.53   1.872% *  8.2270% (1.00   1.0   1.17   0.14) =   0.181%  kept
          HB2   SER   37 - HN    ILE   19  11.68 +/- 2.46   1.181% *  0.0742% (0.53   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  12.32 +/- 1.82   0.672% *  0.1178% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   19  12.15 +/- 1.22   0.671% *  0.0968% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.27 +/- 0.65   1.940% *  0.0314% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  19.47 +/- 3.02   0.210% *  0.1407% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  21.62 +/- 4.67   0.143% *  0.0798% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  19.06 +/- 4.16   0.217% *  0.0314% (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 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.66, residual support = 168.6:
      O   HA    ILE   19 - HN    ILE   19   2.90 +/- 0.04  95.738% * 99.7071% (0.87  10.0   6.66 168.63) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  10.72 +/- 1.28   2.213% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    ILE   19  13.69 +/- 1.37   1.150% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  19.43 +/- 1.90   0.357% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  23.33 +/- 3.09   0.284% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  22.20 +/- 4.01   0.257% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 5.04, residual support = 25.5:
      O   HA    ILE   19 - HN    ALA   20   2.29 +/- 0.12  95.578% * 99.7374% (0.97  10.0   5.04  25.52) =  99.998%  kept
          HA    THR   26 - HN    ALA   20   9.51 +/- 2.04   3.082% *  0.0388% (0.38   1.0   0.02   0.13) =   0.001%
          HA    GLU-  25 - HN    ALA   20  12.58 +/- 1.75   0.789% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ALA   20  20.24 +/- 2.76   0.183% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  21.44 +/- 3.88   0.152% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.14 +/- 4.36   0.217% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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   2.89 +/- 0.03  96.072% * 99.9455% (0.97  10.0   3.14  15.22) =  99.998%  kept
          HA    LEU   71 - HN    ALA   20   9.41 +/- 1.74   3.928% *  0.0545% (0.53   1.0   0.02   0.02) =   0.002%
    Distance limit 4.39 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 = 4.16, residual support = 9.97:
        T HN    LYS+  74 - HN    CYS   21   4.14 +/- 2.79  63.161% * 99.2410% (0.76 10.00   4.17   9.98) =  99.914%  kept
        T HN    LYS+  74 - HN    ILE  119  18.03 +/- 3.22  13.033% *  0.3136% (0.24 10.00   0.02   0.02) =   0.065%
          HN    THR   46 - HN    CYS   21  13.24 +/- 3.90   5.302% *  0.1299% (1.00  1.00   0.02   0.02) =   0.011%
          HN    THR   46 - HN    ILE  119  15.76 +/- 1.65   3.557% *  0.0410% (0.32  1.00   0.02   0.02) =   0.002%
          HN    MET   92 - HN    CYS   21  20.45 +/- 3.20   1.029% *  0.1228% (0.95  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    CYS   21  19.92 +/- 4.97   1.645% *  0.0534% (0.41  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HN    CYS   21  23.97 +/- 3.65   2.447% *  0.0324% (0.25  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HN    ILE  119  10.87 +/- 0.78   7.373% *  0.0102% (0.08  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE  119  16.89 +/- 2.77   1.914% *  0.0388% (0.30  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    ILE  119  34.04 +/- 3.60   0.540% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 2 structures by 0.81 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 16.3:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.04  96.636% * 99.8901% (0.95  10.0   3.43  16.31) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  10.61 +/- 1.20   1.136% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.52 +/- 3.85   0.672% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.26 +/- 4.16   0.638% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.93 +/- 3.78   0.746% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  19.83 +/- 3.28   0.172% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 3.83, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.76 +/- 0.06  98.371% * 99.8043% (0.83  10.0   3.83  41.00) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  13.28 +/- 0.89   0.944% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  19.11 +/- 2.69   0.442% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  22.46 +/- 2.59   0.242% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.522, support = 1.5, residual support = 6.39:
          HA    PHE   59 - HN    ASP-  62   3.83 +/- 0.33  83.362% * 92.4913% (0.52   1.50   6.41) =  99.723%  kept
          HA    ILE   56 - HN    ASP-  62   8.29 +/- 0.73   9.552% *  1.2332% (0.52   0.02   0.02) =   0.152%  kept
          HA    ASP- 113 - HN    ASP-  62  13.86 +/- 1.65   2.116% *  2.0287% (0.86   0.02   0.02) =   0.056%
          HA    LEU  123 - HN    ASP-  62  13.24 +/- 1.46   2.279% *  0.9897% (0.42   0.02   0.02) =   0.029%
          HA    LYS+  99 - HN    ASP-  62  17.84 +/- 3.18   1.281% *  1.6281% (0.69   0.02   0.02) =   0.027%
          HA    ASN   35 - HN    ASP-  62  21.65 +/- 2.33   0.524% *  1.3153% (0.56   0.02   0.02) =   0.009%
          HA    TRP   87 - HN    ASP-  62  19.12 +/- 2.50   0.887% *  0.3137% (0.13   0.02   0.02) =   0.004%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.34, residual support = 21.7:
          HN    THR   23 - HN    HIS   22   2.96 +/- 0.84  87.666% * 97.2816% (0.69   3.34  21.73) =  99.903%  kept
          HE3   TRP   27 - HN    HIS   22   7.86 +/- 1.54   6.604% *  0.8461% (1.00   0.02   0.02) =   0.065%
          QE    PHE   95 - HN    HIS   22  15.97 +/- 3.02   3.033% *  0.6158% (0.73   0.02   0.02) =   0.022%
          QD    PHE   55 - HN    HIS   22  22.26 +/- 3.61   0.461% *  0.8461% (1.00   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    HIS   22  16.02 +/- 5.10   1.473% *  0.1485% (0.18   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    HIS   22  16.37 +/- 1.98   0.763% *  0.2617% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.90 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 = 1.08, residual support = 5.71:
          HA    ALA   20 - HN    HIS   22   4.90 +/- 0.15  79.212% * 98.9138% (0.95   1.09   5.72) =  99.838%  kept
          HA    LYS+ 102 - HN    HIS   22  21.21 +/- 5.11  16.638% *  0.6572% (0.34   0.02   0.02) =   0.139%  kept
          HA    LEU   71 - HN    HIS   22  13.39 +/- 1.08   4.150% *  0.4290% (0.22   0.02   0.02) =   0.023%
    Distance limit 3.95 A violated in 0 structures by 0.89 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.69, residual support = 12.9:
        T HN    THR   26 - HN    THR   23   4.54 +/- 0.12  79.933% * 98.3208% (0.69 10.00   3.70  12.93) =  99.677%  kept
          HN    LEU   80 - HN    THR   23  12.49 +/- 5.77  16.200% *  1.5624% (0.34  1.00   0.64   0.39) =   0.321%  kept
          HN    ALA   34 - HN    THR   23  13.75 +/- 0.89   3.018% *  0.0357% (0.25  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    THR   23  21.62 +/- 2.15   0.848% *  0.0810% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.34, residual support = 21.7:
        T HN    HIS   22 - HN    THR   23   2.96 +/- 0.84  89.672% * 99.9047% (0.99 10.00   3.34  21.73) =  99.989%  kept
          HN    ASP-  76 - HN    THR   23   9.51 +/- 3.60  10.328% *  0.0953% (0.95  1.00   0.02   0.02) =   0.011%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.86, residual support = 34.2:
        T HN    GLU-  25 - HN    VAL   24   2.80 +/- 0.15  88.999% * 95.6097% (0.98 10.00   7.89  34.31) =  99.514%  kept
          HN    ASN   28 - HN    VAL   24   6.01 +/- 0.32   9.641% *  4.2937% (0.41  1.00   2.14  13.88) =   0.484%  kept
          HN    ASP-  44 - HN    VAL   24  13.98 +/- 3.37   1.360% *  0.0967% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 3.67 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 = 7.89, residual support = 34.3:
        T HN    VAL   24 - HN    GLU-  25   2.80 +/- 0.15 100.000% *100.0000% (1.00 10.00   7.89  34.31) = 100.000%  kept
    Distance limit 3.42 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 = 5.45, residual support = 31.7:
        T HN    THR   26 - HN    GLU-  25   2.86 +/- 0.09  99.575% * 99.9840% (0.97 10.00   5.45  31.69) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.20 +/- 1.67   0.425% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.968, support = 5.4, residual support = 31.0:
        T HN    GLU-  25 - HN    THR   26   2.86 +/- 0.09  75.090% * 93.4868% (0.98 10.00   5.45  31.69) =  97.832%  kept
          HN    ASN   28 - HN    THR   26   4.21 +/- 0.21  24.225% *  6.4187% (0.41  1.00   3.27   0.41) =   2.167%  kept
          HN    ASP-  44 - HN    THR   26  15.03 +/- 3.06   0.685% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 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 = 4.46, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.47 +/- 0.09  96.484% * 98.4556% (0.99   4.46  22.69) =  99.993%  kept
          HE3   TRP   87 - HN    THR   26  17.57 +/- 4.64   1.162% *  0.1673% (0.38   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    THR   26  17.44 +/- 5.04   0.512% *  0.2704% (0.61   0.02   0.02) =   0.001%
          HN    THR   39 - HN    THR   26  16.99 +/- 1.28   0.318% *  0.2884% (0.65   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  19.70 +/- 2.86   0.246% *  0.3062% (0.69   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  23.20 +/- 3.59   0.142% *  0.3407% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.52 +/- 0.89   0.406% *  0.1112% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.78 +/- 5.22   0.730% *  0.0603% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.917, support = 3.63, residual support = 13.7:
          HN    THR   23 - HN    THR   26   4.54 +/- 0.12  63.268% * 66.7265% (0.97   3.70  12.93) =  90.002%  kept
          HE3   TRP   27 - HN    THR   26   7.49 +/- 0.35  14.384% * 29.3772% (0.49   3.23  22.69) =   9.009%  kept
          HD2   HIS   22 - HN    THR   26   7.97 +/- 1.42  16.669% *  2.7100% (0.45   0.32   0.02) =   0.963%  kept
          QE    PHE   95 - HN    THR   26  18.43 +/- 2.32   1.326% *  0.3532% (0.95   0.02   0.02) =   0.010%
          HN    LEU   67 - HN    THR   26  19.20 +/- 1.84   1.043% *  0.3447% (0.92   0.02   0.02) =   0.008%
          QD    PHE   55 - HN    THR   26  25.14 +/- 3.76   0.905% *  0.2114% (0.57   0.02   0.02) =   0.004%
          HD1   TRP   49 - HN    THR   26  23.62 +/- 2.82   0.523% *  0.2265% (0.61   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.28 +/- 1.58   1.882% *  0.0505% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.51 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 = 0.873, support = 4.45, residual support = 64.5:
          HE3   TRP   27 - HN    TRP   27   5.09 +/- 0.27  31.347% * 70.6126% (1.00   5.33 106.93) =  59.886%  kept
          HN    THR   23 - HN    TRP   27   4.28 +/- 0.36  51.676% * 28.6738% (0.69   3.15   1.22) =  40.089%  kept
          QE    PHE   95 - HN    TRP   27  16.66 +/- 2.25   1.487% *  0.1927% (0.73   0.02   0.02) =   0.008%
          QD    PHE   55 - HN    TRP   27  23.69 +/- 3.66   0.757% *  0.2648% (1.00   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    TRP   27  17.22 +/- 7.10   2.634% *  0.0465% (0.18   0.02   0.02) =   0.003%
          QE    PHE   95 - HN    ALA   91  10.19 +/- 1.29   4.480% *  0.0238% (0.09   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    TRP   27  17.48 +/- 1.93   0.966% *  0.0819% (0.31   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    ALA   91  15.13 +/- 2.88   1.724% *  0.0327% (0.12   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  18.78 +/- 3.44   0.778% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  12.48 +/- 2.12   2.850% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  20.43 +/- 3.38   0.599% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  20.33 +/- 2.51   0.705% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.07 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.46, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.47 +/- 0.09  99.140% * 99.8587% (0.97 10.00   4.46  22.69) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  23.20 +/- 3.59   0.146% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.55 +/- 1.59   0.543% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  21.67 +/- 2.24   0.171% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 32.3:
        T HN    GLN   90 - HN    ALA   91   2.28 +/- 0.53  93.333% * 91.0962% (0.12 10.00   6.75  32.30) =  99.974%  kept
        T HN    GLN   90 - HN    TRP   27  20.33 +/- 3.77   0.196% *  7.3725% (0.95 10.00   0.02   0.02) =   0.017%
          HN    ILE  103 - HN    TRP   27  18.79 +/- 4.75   0.459% *  0.7794% (1.00  1.00   0.02   0.02) =   0.004%
          HN    GLY  109 - HN    ALA   91   9.02 +/- 3.41   3.334% *  0.0507% (0.07  1.00   0.02   0.02) =   0.002%
          HN    SER   82 - HN    TRP   27  17.49 +/- 7.44   0.877% *  0.1735% (0.22  1.00   0.02   0.02) =   0.002%
          HN    GLY  109 - HN    TRP   27  24.15 +/- 3.64   0.116% *  0.4100% (0.53  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.49 +/- 1.70   1.451% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.73 +/- 2.63   0.232% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.98, support = 4.9, residual support = 46.9:
        T HN    ASN   28 - HN    TRP   27   2.84 +/- 0.07  71.609% * 94.7554% (0.99 10.00   4.94  47.75) =  98.145%  kept
          HN    GLU-  25 - HN    TRP   27   4.04 +/- 0.21  25.500% *  5.0266% (0.38  1.00   2.80   0.58) =   1.854%  kept
          HN    ASP-  44 - HN    TRP   27  12.96 +/- 2.94   1.033% *  0.0393% (0.41  1.00   0.02   0.02) =   0.001%
        T HN    ASN   28 - HN    ALA   91  21.97 +/- 3.66   0.189% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.77 +/- 2.03   0.329% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.59 +/- 1.29   0.998% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  22.60 +/- 4.12   0.195% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  23.26 +/- 2.28   0.148% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 2.34, residual support = 106.9:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  96.366% * 99.6433% (0.76  10.0   2.34 106.93) =  99.995%  kept
          HE21  GLN   30 - HE1   TRP   27   9.68 +/- 1.77   2.991% *  0.1292% (0.99   1.0   0.02   0.02) =   0.004%
          QD    PHE   59 - HE1   TRP   27  17.54 +/- 2.29   0.413% *  0.0996% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  23.14 +/- 4.34   0.231% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 1.8, residual support = 106.9:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.810% * 99.8792% (0.45  10.0   1.80 106.93) =  99.999%  kept
          HZ    PHE   72 - HE1   TRP   27  14.66 +/- 2.37   1.190% *  0.1208% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.02 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 = 0.938, support = 4.82, residual support = 29.1:
          HN    GLU-  29 - HN    ASN   28   2.80 +/- 0.12  68.996% * 55.6602% (0.98   4.88  32.31) =  76.460%  kept
          HN    GLN   30 - HN    ASN   28   3.82 +/- 0.13  27.369% * 43.1156% (0.80   4.63  18.64) =  23.494%  kept
          HN    GLU-  14 - HN    ASN   28  16.71 +/- 4.06   2.253% *  0.9596% (0.22   0.37   0.02) =   0.043%
          HN    ASP-  86 - HN    ASN   28  17.71 +/- 6.65   0.654% *  0.2017% (0.87   0.02   0.02) =   0.003%
          HN    VAL   18 - HN    ASN   28  14.91 +/- 1.57   0.553% *  0.0315% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  22.04 +/- 3.43   0.175% *  0.0315% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.94, residual support = 47.7:
          HN    TRP   27 - HN    ASN   28   2.84 +/- 0.07  93.947% * 98.6040% (0.99   4.94  47.75) =  99.989%  kept
          HD1   TRP   87 - HN    ASN   28  16.04 +/- 5.66   1.201% *  0.2444% (0.61   0.02   0.02) =   0.003%
          HE3   TRP   87 - HN    ASN   28  15.58 +/- 4.64   1.378% *  0.1512% (0.38   0.02   0.02) =   0.002%
          HN    THR   39 - HN    ASN   28  14.39 +/- 1.01   0.764% *  0.2607% (0.65   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  19.11 +/- 2.27   0.371% *  0.2768% (0.69   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    ASN   28  12.97 +/- 0.61   1.009% *  0.1005% (0.25   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  21.97 +/- 3.66   0.250% *  0.3079% (0.76   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.76 +/- 4.90   1.079% *  0.0545% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 0.421, support = 4.94, residual support = 46.9:
          HD1   TRP   27 - HN    ASN   28   3.09 +/- 0.50  89.347% * 78.8398% (0.41   5.06  47.75) =  97.211%  kept
          HE21  GLN   30 - HN    ASN   28   7.70 +/- 1.70  10.017% * 20.1497% (0.76   0.70  18.64) =   2.785%  kept
          HH2   TRP   49 - HN    ASN   28  25.62 +/- 3.17   0.211% *  0.6992% (0.92   0.02   0.02) =   0.002%
          QD    PHE   59 - HN    ASN   28  19.38 +/- 1.96   0.426% *  0.3114% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.59, residual support = 94.8:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.721% * 99.9543% (0.98  10.0   2.59  94.76) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  13.62 +/- 1.82   0.279% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 0.997, support = 1.36, residual support = 3.75:
          HA    GLU-  25 - HD21  ASN   28   4.78 +/- 0.26  83.058% * 96.8240% (1.00   1.37   3.76) =  99.777%  kept
          HA    ILE   19 - HD21  ASN   28  13.24 +/- 1.84   7.612% *  1.3423% (0.95   0.02   0.02) =   0.127%  kept
          HA    SER   82 - HD21  ASN   28  17.91 +/- 8.95   8.289% *  0.8034% (0.57   0.02   0.02) =   0.083%
          HA    CYS   53 - HD21  ASN   28  23.59 +/- 3.17   1.040% *  1.0304% (0.73   0.02   0.02) =   0.013%
    Distance limit 4.42 A violated in 0 structures by 0.36 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 5.62, residual support = 90.7:
      O   HA    ASN   28 - HN    ASN   28   2.73 +/- 0.05  75.986% * 85.5303% (0.84  10.0   5.68  94.76) =  95.706%  kept
          HA    THR   26 - HN    ASN   28   4.25 +/- 0.22  20.762% * 14.0286% (0.65   1.0   4.24   0.41) =   4.289%  kept
          HA1   GLY  101 - HN    ASN   28  16.69 +/- 5.54   1.630% *  0.1022% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ASN   28  11.57 +/- 0.57   1.016% *  0.0988% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  23.14 +/- 3.23   0.240% *  0.0888% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.76 +/- 3.82   0.148% *  0.0969% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  25.29 +/- 3.53   0.125% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.44 +/- 4.37   0.092% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.897, support = 5.07, residual support = 99.6:
      O   HA    TRP   27 - HN    TRP   27   2.74 +/- 0.01  53.192% * 90.4766% (0.97  10.0   5.29 106.93) =  92.174%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  44.047% *  9.2758% (0.10  10.0   2.45  12.79) =   7.825%  kept
          HA    VAL  107 - HN    TRP   27  22.36 +/- 3.27   0.148% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  22.91 +/- 3.32   0.106% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.95 +/- 3.23   0.103% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  11.97 +/- 1.90   0.769% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  15.11 +/- 3.37   0.470% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  12.66 +/- 2.90   0.949% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  20.71 +/- 3.29   0.148% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  27.27 +/- 3.03   0.068% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.46, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   2.95 +/- 0.16  93.964% * 99.0055% (0.99   4.46  22.69) =  99.993%  kept
          HA    ASP-  62 - HN    TRP   27  17.96 +/- 2.97   0.963% *  0.4324% (0.97   0.02   0.02) =   0.004%
          HA    SER  117 - HN    TRP   27  26.08 +/- 4.47   0.287% *  0.3254% (0.73   0.02   0.02) =   0.001%
          HA    SER   82 - HN    TRP   27  18.91 +/- 7.17   1.012% *  0.0785% (0.18   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ALA   91  18.08 +/- 3.42   1.006% *  0.0402% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  18.54 +/- 3.72   0.678% *  0.0534% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  11.86 +/- 1.72   1.856% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  23.16 +/- 3.30   0.235% *  0.0549% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.45 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  23.32 +/- 4.23 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.44 A violated in 20 structures by 18.87 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.334, support = 4.62, residual support = 33.4:
      O   HB    THR   26 - HN    THR   26   2.14 +/- 0.09  81.375% * 21.3631% (0.15  10.0   4.16  34.79) =  56.399%  kept
      O   HA    GLU-  25 - HN    THR   26   3.61 +/- 0.03  17.144% * 78.3875% (0.57  10.0   5.23  31.69) =  43.598%  kept
          HA    ILE   19 - HN    THR   26  10.53 +/- 1.40   0.925% *  0.0472% (0.34   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    THR   26  19.90 +/- 7.33   0.245% *  0.1381% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    THR   26  19.54 +/- 3.16   0.249% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  24.39 +/- 2.27   0.063% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.791, support = 3.07, residual support = 6.41:
          HA    THR   23 - HN    GLU-  25   3.77 +/- 0.31  45.806% * 59.6743% (0.98   2.80   6.41) =  58.438%  kept
          HB    THR   23 - HN    GLU-  25   3.71 +/- 0.63  49.186% * 39.4952% (0.53   3.45   6.41) =  41.530%  kept
          HA    LEU   80 - HN    GLU-  25  15.54 +/- 7.78   3.969% *  0.2986% (0.69   0.02   0.02) =   0.025%
          HA    ASP-  78 - HN    GLU-  25  17.74 +/- 4.59   0.701% *  0.4111% (0.95   0.02   0.02) =   0.006%
          HA    ASP- 105 - HN    GLU-  25  23.70 +/- 4.40   0.338% *  0.1208% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 127.5:
      O   HA    GLU-  25 - HN    GLU-  25   2.72 +/- 0.03  97.574% * 99.7793% (0.87  10.0   5.86 127.52) =  99.998%  kept
          HA    SER   82 - HN    GLU-  25  18.53 +/- 8.07   1.059% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLU-  25  12.62 +/- 1.50   1.213% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  25  24.50 +/- 2.71   0.154% *  0.0432% (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 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.715, support = 5.37, residual support = 25.8:
      O   HA    THR   23 - HN    VAL   24   2.28 +/- 0.13  74.098% * 90.8937% (0.73  10.0   5.38  25.78) =  97.750%  kept
          HB    THR   23 - HN    VAL   24   3.90 +/- 0.54  19.949% *  7.3624% (0.22   1.0   5.28  25.78) =   2.132%  kept
          HA    LEU   80 - HN    VAL   24  13.27 +/- 7.65   5.032% *  1.6011% (0.34   1.0   0.75   3.30) =   0.117%  kept
          HA    ASP-  78 - HN    VAL   24  15.28 +/- 4.64   0.519% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  15.06 +/- 3.47   0.401% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.773, support = 3.43, residual support = 19.1:
      O   HA    THR   23 - HN    THR   23   2.76 +/- 0.22  66.524% * 36.8638% (0.61  10.0   3.04  19.12) =  57.363%  kept
      O   HB    THR   23 - HN    THR   23   3.66 +/- 0.22  29.957% * 60.6432% (1.00  10.0   3.95  19.12) =  42.495%  kept
          HA    LEU   80 - HN    THR   23  13.64 +/- 6.49   2.483% *  2.4182% (0.95   1.0   0.84   0.39) =   0.140%  kept
          HA    ASP- 105 - HN    THR   23  22.03 +/- 4.04   0.340% *  0.0561% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    THR   23  14.77 +/- 4.07   0.696% *  0.0188% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.726, support = 2.22, residual support = 2.7:
          HA    ALA   20 - HN    THR   23   5.79 +/- 0.55  92.672% * 98.9735% (0.73   2.22   2.70) =  99.918%  kept
          HA    LEU   71 - HN    THR   23  14.04 +/- 1.09   7.328% *  1.0265% (0.84   0.02   0.02) =   0.082%
    Distance limit 3.99 A violated in 14 structures by 1.80 A, kept.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.16, residual support = 12.9:
          HB    THR   26 - HN    THR   23   3.93 +/- 0.23  92.270% * 98.2876% (0.99   2.16  12.93) =  99.946%  kept
          HA    ASP-  62 - HN    THR   23  16.99 +/- 3.04   3.141% *  0.8854% (0.97   0.02   0.02) =   0.031%
          HA    SER  117 - HN    THR   23  25.68 +/- 5.39   2.703% *  0.6662% (0.73   0.02   0.02) =   0.020%
          HA    SER   82 - HN    THR   23  17.80 +/- 5.92   1.886% *  0.1607% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.72 A violated in 0 structures by 0.24 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.59, residual support = 94.8:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  98.249% * 99.7763% (0.98  10.0   2.59  94.76) =  99.998%  kept
          HZ2   TRP   87 - HD22  ASN   28  12.72 +/- 6.26   1.334% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  16.04 +/- 3.51   0.171% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  18.86 +/- 2.72   0.184% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  24.48 +/- 3.38   0.063% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 4.88, residual support = 32.3:
        T HN    ASN   28 - HN    GLU-  29   2.80 +/- 0.12  91.252% * 99.0043% (0.76 10.00   4.88  32.31) =  99.925%  kept
          HN    GLU-  25 - HN    GLU-  29   6.42 +/- 0.26   7.709% *  0.8711% (0.73  1.00   0.19   0.02) =   0.074%
          HN    ASP-  44 - HN    GLU-  29  15.32 +/- 2.30   0.664% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  19.36 +/- 2.43   0.375% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 7.25, residual support = 51.5:
        T HN    LEU   31 - HN    GLN   30   2.56 +/- 0.07  96.603% * 98.4622% (0.73 10.00   7.25  51.52) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   30  26.50 +/- 3.27   0.131% *  1.3086% (0.97 10.00   0.02   0.02) =   0.002%
          HN    ASP-  62 - HN    GLN   30  18.85 +/- 2.26   0.301% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  20.45 +/- 4.50   0.279% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.65 +/- 4.03   1.471% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.94 +/- 2.90   0.116% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.35 +/- 3.17   0.443% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.97 +/- 3.87   0.404% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.03 +/- 2.67   0.126% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.04 +/- 2.72   0.126% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.87, residual support = 44.4:
        T HN    LEU   31 - HN    GLN   32   2.63 +/- 0.17  96.769% * 99.0995% (0.98 10.00   5.87  44.39) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  28.28 +/- 3.56   0.119% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   9.12 +/- 0.32   2.463% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.44 +/- 2.34   0.279% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.89 +/- 3.34   0.108% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  21.65 +/- 5.25   0.261% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 44.4:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.813% * 99.4510% (0.87  10.0   1.00  44.41) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  20.47 +/- 3.57   0.106% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  30.75 +/- 4.73   0.022% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.40 +/- 3.81   0.040% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  32.02 +/- 3.53   0.019% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 44.4:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  97.955% * 98.9152% (0.83  10.0 10.00   1.00  44.41) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  10.34 +/- 2.83   0.932% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  16.79 +/- 4.43   0.315% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  20.47 +/- 3.57   0.104% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  24.91 +/- 7.48   0.071% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  30.75 +/- 4.73   0.022% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  24.49 +/- 3.45   0.054% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  20.49 +/- 3.49   0.078% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  21.86 +/- 3.44   0.078% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.18 +/- 3.14   0.235% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.24 +/- 3.61   0.021% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  33.46 +/- 3.31   0.015% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.75 +/- 4.34   0.043% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  23.28 +/- 3.63   0.054% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  30.03 +/- 3.30   0.022% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.899, support = 5.75, residual support = 50.4:
          HN    GLU-  36 - HN    ASN   35   2.49 +/- 0.17  89.229% * 76.0082% (0.90   5.87  51.93) =  97.093%  kept
          HN    THR   39 - HN    ASN   35   5.62 +/- 0.64   8.684% * 23.3363% (0.97   1.68   0.02) =   2.901%  kept
          HN    LYS+ 102 - HN    ASN   35  14.25 +/- 5.54   1.097% *  0.2096% (0.73   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    ASN   35  12.67 +/- 0.55   0.700% *  0.1186% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  21.60 +/- 5.16   0.209% *  0.2829% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  26.55 +/- 2.18   0.080% *  0.0445% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 54.6:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.57) = 100.000%  kept
    Distance limit 2.58 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 = 54.6:
      O   HA    ASN   35 - HN    ASN   35   2.79 +/- 0.07  89.883% * 99.5029% (0.98  10.0   4.55  54.57) =  99.993%  kept
          HA    LYS+  99 - HN    ASN   35  11.66 +/- 4.64   3.125% *  0.0910% (0.90   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    ASN   35   8.71 +/- 1.19   3.398% *  0.0494% (0.49   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ASN   35  11.86 +/- 2.37   1.695% *  0.0313% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ASN   35  14.86 +/- 3.53   1.270% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  23.84 +/- 4.38   0.217% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.17 +/- 3.29   0.129% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  23.67 +/- 2.80   0.187% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.23 +/- 3.27   0.096% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 2.39, residual support = 159.0:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.312% * 99.6989% (0.90  10.0   2.39 159.02) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   8.12 +/- 1.50   1.500% *  0.1102% (0.99   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HE22  GLN   30  16.23 +/- 1.68   0.144% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.39 +/- 2.89   0.044% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 2.39, residual support = 159.0:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.490% * 99.8775% (0.92  10.0 10.00   2.39 159.02) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.61 +/- 2.48   0.458% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.79 +/- 2.59   0.052% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.512, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.70 +/- 2.45  18.118% *  6.4793% (0.25   0.02   0.02) =  34.662%  kept
          HA    GLN   90 - HN    GLN   30  22.99 +/- 3.91   2.552% * 25.0767% (0.97   0.02   0.02) =  18.895%  kept
          HA    PHE   55 - HN    GLN   30  27.65 +/- 4.08   2.155% * 21.7040% (0.84   0.02   0.02) =  13.807%  kept
          HA    ALA  110 - HN    GLN   30  28.47 +/- 3.17   1.191% * 25.9267% (1.00   0.02   0.02) =   9.117%  kept
          HA    VAL  107 - HN    GLN   30  22.57 +/- 2.76   2.751% *  8.8635% (0.34   0.02   0.02) =   7.200%  kept
          HA    VAL   42 - HN    LYS+  99   8.34 +/- 2.99  47.997% *  0.4257% (0.02   0.02   0.02) =   6.033%  kept
          HA    ALA   91 - HN    GLN   30  24.82 +/- 2.84   1.972% *  5.7850% (0.22   0.02   0.02) =   3.368%  kept
          HA    GLN   90 - HN    LYS+  99  20.64 +/- 2.96   5.665% *  1.6475% (0.06   0.02   0.02) =   2.756%  kept
          HA    VAL  107 - HN    LYS+  99  14.23 +/- 0.36   9.872% *  0.5823% (0.02   0.02   0.02) =   1.697%  kept
          HA    ALA  110 - HN    LYS+  99  22.15 +/- 1.24   2.611% *  1.7034% (0.07   0.02   0.02) =   1.313%  kept
          HA    PHE   55 - HN    LYS+  99  25.97 +/- 3.23   1.868% *  1.4259% (0.05   0.02   0.02) =   0.787%  kept
          HA    ALA   91 - HN    LYS+  99  22.12 +/- 2.36   3.249% *  0.3801% (0.01   0.02   0.02) =   0.365%  kept
    Distance limit 4.33 A violated in 19 structures by 3.30 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.793, support = 4.71, residual support = 38.8:
          HN    ALA   34 - HN    LYS+  33   2.40 +/- 0.13  58.821% * 79.3440% (0.90   4.62  43.02) =  85.116%  kept
          HN    GLN   32 - HN    LYS+  33   2.73 +/- 0.15  40.995% * 19.9061% (0.20   5.25  14.99) =  14.883%  kept
          HN    LEU   80 - HN    LYS+  33  21.58 +/- 5.42   0.141% *  0.3699% (0.97   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  33  27.85 +/- 2.80   0.044% *  0.3799% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 54.6:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.669% * 99.5403% (0.73  10.0   2.00  54.57) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.87 +/- 2.65   0.068% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.79 +/- 2.56   0.072% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.78 +/- 2.14   0.090% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  21.60 +/- 3.55   0.083% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  32.25 +/- 3.56   0.018% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 5.87, residual support = 51.9:
        T HN    ASN   35 - HN    GLU-  36   2.49 +/- 0.17  98.385% * 99.7986% (0.99 10.00   5.87  51.93) =  99.998%  kept
        T HN    LYS+  99 - HN    GLU-  36  14.79 +/- 4.74   0.821% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  15.94 +/- 4.06   0.793% *  0.0651% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 0.44, support = 4.02, residual support = 11.8:
          HN    GLU-  36 - HN    SER   37   2.56 +/- 0.16  67.932% * 32.0658% (0.25   4.46  18.89) =  51.960%  kept
          HN    THR   39 - HN    SER   37   3.49 +/- 0.41  30.562% * 65.8835% (0.65   3.54   4.23) =  48.030%  kept
          HN    TRP   27 - HN    SER   37  15.10 +/- 0.94   0.338% *  0.5710% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  21.12 +/- 2.63   0.159% *  0.3958% (0.69   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    SER   37  14.91 +/- 5.37   0.660% *  0.0780% (0.14   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  23.38 +/- 4.45   0.122% *  0.3495% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  20.98 +/- 4.34   0.171% *  0.2162% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  27.74 +/- 1.82   0.057% *  0.4403% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.91, support = 5.02, residual support = 21.8:
          HN    THR   39 - HN    LYS+  38   2.77 +/- 0.15  67.715% * 80.2729% (0.95   5.33  23.80) =  90.571%  kept
          HN    GLU-  36 - HN    LYS+  38   3.65 +/- 0.16  30.103% * 18.7878% (0.57   2.08   2.40) =   9.424%  kept
          HN    LYS+ 102 - HN    LYS+  38  13.87 +/- 5.59   1.138% *  0.1195% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.77 +/- 0.79   0.387% *  0.2433% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  23.18 +/- 4.44   0.152% *  0.2939% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  21.04 +/- 2.63   0.206% *  0.1086% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  20.55 +/- 4.48   0.226% *  0.0431% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.46 +/- 1.70   0.073% *  0.1309% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.65, residual support = 49.7:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.03  63.583% * 82.0400% (0.38  10.0   4.70  51.93) =  93.341%  kept
          HA    SER   37 - HN    GLU-  36   5.10 +/- 0.13  22.171% * 16.6775% (0.38   1.0   4.07  18.89) =   6.616%  kept
          HA    LEU   40 - HN    GLU-  36   9.70 +/- 1.29   4.126% *  0.2186% (1.00   1.0   0.02   0.02) =   0.016%
          HA    SER   13 - HN    GLU-  36  14.12 +/- 3.52   2.806% *  0.2068% (0.95   1.0   0.02   0.02) =   0.010%
          HA    GLU-  15 - HN    GLU-  36  11.64 +/- 2.36   2.729% *  0.2068% (0.95   1.0   0.02   0.02) =   0.010%
          HA    LYS+  99 - HN    GLU-  36  12.91 +/- 4.73   2.571% *  0.0545% (0.25   1.0   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    GLU-  36  15.07 +/- 2.17   1.091% *  0.0820% (0.38   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLU-  36  24.74 +/- 3.09   0.242% *  0.2110% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU-  36  24.37 +/- 5.09   0.340% *  0.1150% (0.53   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  25.43 +/- 1.49   0.183% *  0.0980% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.36 +/- 3.61   0.159% *  0.0899% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 6.05, residual support = 86.4:
      O   HA    GLU-  36 - HN    GLU-  36   2.80 +/- 0.04  99.091% * 99.7892% (0.69  10.0   6.05  86.35) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  19.88 +/- 3.47   0.521% *  0.0998% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HN    GLU-  36  28.01 +/- 4.51   0.124% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  25.11 +/- 5.95   0.265% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.47, residual support = 29.7:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.02  87.081% * 99.4774% (0.97  10.0   4.47  29.75) =  99.990%  kept
          HA    LEU   40 - HN    SER   37   8.22 +/- 1.14   5.486% *  0.0542% (0.53   1.0   0.02   0.70) =   0.003%
          HA    SER   13 - HN    SER   37  13.60 +/- 3.77   2.612% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    SER   37  10.81 +/- 2.46   2.493% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    SER   37  13.90 +/- 2.11   1.077% *  0.0995% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.67 +/- 1.12   0.901% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.77 +/- 1.44   0.147% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  23.77 +/- 2.99   0.202% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 18.9:
      O   HA    GLU-  36 - HN    SER   37   3.51 +/- 0.06  98.689% * 99.6452% (0.34  10.0   4.29  18.89) =  99.997%  kept
          HA    LYS+  66 - HN    SER   37  18.64 +/- 3.06   1.081% *  0.2819% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    SER   37  27.96 +/- 3.90   0.230% *  0.0728% (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 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.95, residual support = 20.5:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.09  81.473% * 95.0579% (0.73  10.0   4.97  20.63) =  99.532%  kept
          HA    LEU   40 - HN    LYS+  38   7.35 +/- 0.43   8.240% *  4.2905% (0.84   1.0   0.78   0.76) =   0.454%  kept
          HA    GLU-  15 - HN    LYS+  38  11.59 +/- 2.78   3.154% *  0.1263% (0.97   1.0   0.02   0.02) =   0.005%
          HA    SER   13 - HN    LYS+  38  14.56 +/- 4.12   3.067% *  0.1263% (0.97   1.0   0.02   0.02) =   0.005%
          HA    GLN   17 - HN    LYS+  38  14.39 +/- 2.09   1.381% *  0.0951% (0.73   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    LYS+  38  23.68 +/- 2.95   0.326% *  0.1238% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  13.25 +/- 0.66   1.434% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.77 +/- 1.48   0.227% *  0.1048% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  22.44 +/- 5.11   0.474% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.15 +/- 3.49   0.224% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 1.97, residual support = 2.4:
          HA    GLU-  36 - HN    LYS+  38   4.24 +/- 0.23  96.011% * 97.8382% (0.97   1.97   2.40) =  99.980%  kept
          HA    ALA  124 - HN    LYS+  38  23.00 +/- 6.15   1.235% *  0.5011% (0.49   0.02   0.02) =   0.007%
          HA    LYS+  66 - HN    LYS+  38  18.95 +/- 2.49   1.470% *  0.3511% (0.34   0.02   0.02) =   0.005%
          HA    LYS+  81 - HN    LYS+  38  27.99 +/- 3.74   0.402% *  0.9232% (0.90   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    LYS+  38  28.92 +/- 4.69   0.882% *  0.3863% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 36.8:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.04  96.776% * 99.4345% (1.00  10.0   3.73  36.81) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  13.95 +/- 3.90   1.207% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    THR   39  18.30 +/- 4.36   0.622% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.76 +/- 0.79   0.503% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.15 +/- 3.52   0.279% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  24.61 +/- 2.41   0.167% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  30.60 +/- 3.69   0.117% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  23.98 +/- 1.90   0.183% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  26.07 +/- 3.16   0.145% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 4.31, residual support = 24.5:
      O   HA    THR   39 - HN    LEU   40   2.28 +/- 0.09  97.653% * 99.4345% (1.00  10.0   4.31  24.46) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  12.05 +/- 3.81   0.977% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   40  14.03 +/- 0.94   0.457% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.25 +/- 3.38   0.239% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  19.94 +/- 4.00   0.261% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  23.14 +/- 1.84   0.100% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  27.73 +/- 3.91   0.087% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  21.86 +/- 1.73   0.127% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  24.19 +/- 2.88   0.097% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.997, support = 5.15, residual support = 103.5:
      O   HA    LEU   40 - HN    LEU   40   2.85 +/- 0.06  73.196% * 95.3564% (1.00  10.0   5.17 103.86) =  99.618%  kept
          HA    LYS+  99 - HN    LEU   40   7.81 +/- 5.29  10.467% *  1.6530% (0.25   1.0   1.39   9.41) =   0.247%  kept
          HA    SER   37 - HN    LEU   40   8.02 +/- 0.44   3.442% *  2.5144% (0.38   1.0   1.41   0.70) =   0.124%  kept
          HA    SER   13 - HN    LEU   40  15.46 +/- 3.92   2.939% *  0.0902% (0.95   1.0   0.02   0.02) =   0.004%
          HA    GLU-  15 - HN    LEU   40  11.07 +/- 3.14   2.677% *  0.0902% (0.95   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    LEU   40   8.31 +/- 1.01   3.741% *  0.0358% (0.38   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    LEU   40  11.50 +/- 2.42   1.617% *  0.0358% (0.38   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LEU   40  17.97 +/- 6.12   1.065% *  0.0502% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  19.11 +/- 2.87   0.380% *  0.0920% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.07 +/- 1.64   0.237% *  0.0428% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.16 +/- 3.28   0.239% *  0.0392% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.49, residual support = 76.0:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.02  98.357% * 99.4222% (0.22  10.0   4.49  76.02) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.22 +/- 0.46   0.869% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  21.59 +/- 1.34   0.255% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  17.80 +/- 2.25   0.519% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 5.11, residual support = 20.5:
      O   HA    LEU   40 - HN    VAL   41   2.26 +/- 0.06  73.213% * 97.4444% (1.00  10.0   5.13  20.66) =  99.378%  kept
          HA    LYS+  99 - HN    VAL   41   5.42 +/- 4.77  21.853% *  2.0325% (0.25   1.0   1.67   0.02) =   0.619%  kept
          HA    GLU-  15 - HN    VAL   41  12.84 +/- 2.77   0.966% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    VAL   41   9.31 +/- 1.12   1.178% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    VAL   41  12.48 +/- 2.48   1.011% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   41  10.72 +/- 0.74   0.744% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  17.72 +/- 3.18   0.259% *  0.0922% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  17.87 +/- 2.30   0.183% *  0.0940% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  17.86 +/- 5.13   0.296% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.44 +/- 0.75   0.163% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.53 +/- 2.97   0.134% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.29, residual support = 22.0:
        T HN    LEU   98 - HN    VAL   41   5.39 +/- 3.66 100.000% *100.0000% (0.97 10.00   5.29  22.02) = 100.000%  kept
    Distance limit 4.21 A violated in 3 structures by 1.44 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.14, residual support = 4.09:
          HA    PHE   72 - HN    VAL   42   4.51 +/- 2.70 100.000% *100.0000% (0.22   1.14   4.09) = 100.000%  kept
    Distance limit 4.25 A violated in 4 structures by 1.09 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.19, residual support = 28.3:
      O   HA    VAL   41 - HN    VAL   42   2.27 +/- 0.06  98.353% * 99.4222% (0.22  10.0   5.19  28.31) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.48 +/- 0.44   1.027% *  0.3413% (0.76   1.0   0.02   0.02) =   0.004%
          HA    ASP-  78 - HN    VAL   42  18.13 +/- 1.18   0.205% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  15.41 +/- 2.78   0.415% *  0.0689% (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 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 89.7:
      O   HA    VAL   42 - HN    VAL   42   2.91 +/- 0.02  94.260% * 99.6568% (0.87  10.0   5.44  89.71) =  99.997%  kept
          HA    GLN   17 - HN    VAL   42  11.40 +/- 2.84   2.141% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    VAL   42  20.75 +/- 3.19   0.636% *  0.0997% (0.87   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   42  13.23 +/- 1.16   1.237% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  17.68 +/- 1.94   0.505% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.70 +/- 0.75   0.933% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  20.84 +/- 2.10   0.289% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.98, residual support = 38.9:
      O   HA    VAL   42 - HN    VAL   43   2.26 +/- 0.07  97.444% * 99.7026% (1.00  10.0   4.98  38.87) =  99.999%  kept
          HA    THR   46 - HN    VAL   43  11.43 +/- 0.47   0.776% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  14.47 +/- 2.92   0.449% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.13 +/- 1.99   0.558% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.76 +/- 1.27   0.264% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  19.39 +/- 2.53   0.265% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  17.49 +/- 2.16   0.244% *  0.0249% (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 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.276, support = 2.22, residual support = 3.97:
          HA    LYS+  74 - HN    ASP-  44   5.93 +/- 3.38  61.354% * 79.4493% (0.28   2.35   4.30) =  92.427%  kept
          HA    VAL   41 - HN    ASP-  44   7.99 +/- 0.55  21.262% * 17.1566% (0.20   0.71   0.02) =   6.917%  kept
          HA    MET   92 - HN    ASP-  44  11.86 +/- 1.87  14.874% *  2.1127% (0.87   0.02   0.02) =   0.596%  kept
          HA    HIS  122 - HN    ASP-  44  16.29 +/- 2.95   2.510% *  1.2814% (0.53   0.02   0.02) =   0.061%
    Distance limit 3.76 A violated in 5 structures by 1.23 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 16.6:
      O   HA    VAL   43 - HN    ASP-  44   2.21 +/- 0.04  96.005% * 99.8182% (0.87  10.0   3.93  16.61) =  99.998%  kept
          HA    LEU   71 - HN    ASP-  44   9.87 +/- 2.44   2.515% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASP-  44  12.60 +/- 3.24   0.963% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    ASP-  44  13.88 +/- 1.90   0.517% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 3.74, residual support = 39.3:
      O   HA    ASP-  44 - HN    ASP-  44   2.88 +/- 0.06  92.805% * 98.9185% (0.49  10.0   3.74  39.26) =  99.992%  kept
          HB    THR   77 - HN    ASP-  44  10.58 +/- 1.88   2.577% *  0.0835% (0.41   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP-  44  15.31 +/- 1.72   0.691% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    ASP-  44  14.82 +/- 1.41   0.772% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.16 +/- 1.41   1.577% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  18.93 +/- 2.37   0.394% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  14.89 +/- 1.67   0.750% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  22.90 +/- 2.80   0.222% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  24.57 +/- 3.87   0.213% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 27.7:
        T HN    THR   94 - HN    PHE   45   3.20 +/- 0.58  95.499% * 99.8815% (0.84 10.00   3.30  27.70) =  99.994%  kept
          HN    GLU-  79 - HN    PHE   45  10.44 +/- 1.86   4.501% *  0.1185% (0.99  1.00   0.02   0.02) =   0.006%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.62, residual support = 79.9:
          QD    PHE   45 - HN    PHE   45   2.09 +/- 0.50  97.690% * 98.5402% (0.53   5.62  79.95) =  99.986%  kept
          HD2   HIS  122 - HN    PHE   45  13.37 +/- 2.36   1.498% *  0.6436% (0.97   0.02   0.02) =   0.010%
          HE22  GLN  116 - HN    PHE   45  15.65 +/- 2.62   0.611% *  0.6308% (0.95   0.02   0.02) =   0.004%
          HE22  GLN   17 - HN    PHE   45  19.71 +/- 3.66   0.201% *  0.1854% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.81 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   4.08 +/- 1.25 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.65 A violated in 1 structures by 0.31 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.95, residual support = 80.0:
      O   HA    PHE   45 - HN    PHE   45   2.89 +/- 0.05  96.224% * 99.9134% (0.99  10.0   3.95  79.95) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.65 +/- 0.51   1.497% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.68 +/- 1.82   1.633% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  16.88 +/- 2.42   0.647% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.999, support = 4.06, residual support = 17.8:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.02  91.455% * 97.4798% (1.00  10.0   4.06  17.78) =  99.920%  kept
          HB    THR   77 - HN    PHE   45   8.25 +/- 2.13   3.571% *  1.9388% (0.99   1.0   0.40  10.19) =   0.078%
          HA    SER   85 - HN    PHE   45  12.53 +/- 1.72   0.714% *  0.0966% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  12.43 +/- 2.07   0.992% *  0.0591% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    PHE   45  13.39 +/- 1.06   0.486% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    PHE   45  11.23 +/- 3.58   1.505% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.96 +/- 1.36   0.445% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.67 +/- 1.43   0.401% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.87 +/- 0.87   0.197% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  28.27 +/- 3.89   0.062% *  0.0973% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.53 +/- 2.52   0.107% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  26.58 +/- 2.77   0.065% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.222, support = 4.38, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.40 +/- 0.31  89.082% * 94.4050% (0.22   4.39  12.41) =  99.869%  kept
          HE22  GLN  116 - HN    THR   46  17.79 +/- 3.08   2.205% *  1.8655% (0.97   0.02   0.02) =   0.049%
          HD2   HIS  122 - HN    THR   46  16.51 +/- 1.91   1.978% *  1.8285% (0.95   0.02   0.02) =   0.043%
          HE22  GLN   17 - HN    THR   46  20.27 +/- 4.70   1.441% *  1.1724% (0.61   0.02   0.02) =   0.020%
          HE22  GLN   90 - HN    THR   46  13.72 +/- 2.10   4.755% *  0.2982% (0.15   0.02   0.02) =   0.017%
          HE22  GLN   32 - HN    THR   46  25.20 +/- 2.53   0.539% *  0.4303% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.71, residual support = 3.71:
          HA    ASP-  76 - HN    THR   46   5.90 +/- 4.32  79.021% * 98.7999% (0.53   2.71   3.72) =  99.679%  kept
          HA    LEU   67 - HN    THR   46  15.24 +/- 3.28  20.979% *  1.2001% (0.87   0.02   0.02) =   0.321%  kept
    Distance limit 4.10 A violated in 8 structures by 2.10 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 12.4:
      O   HA    PHE   45 - HN    THR   46   2.32 +/- 0.06  96.581% * 99.9017% (0.76  10.0   3.95  12.41) =  99.998%  kept
          HA    ASP-  78 - HN    THR   46   9.13 +/- 3.40   2.581% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    THR   46  14.49 +/- 0.65   0.406% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  15.94 +/- 3.81   0.432% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 34.2:
      O   HA    THR   46 - HN    THR   46   2.91 +/- 0.04  84.289% * 99.4016% (0.57  10.0   3.25  34.20) =  99.986%  kept
          HA    GLN   90 - HN    THR   46   9.72 +/- 2.35  12.273% *  0.0599% (0.34   1.0   0.02   0.02) =   0.009%
          HA    VAL   42 - HN    THR   46  11.92 +/- 0.76   1.315% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   46  14.97 +/- 1.43   0.688% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  18.05 +/- 4.15   0.470% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  15.85 +/- 2.52   0.823% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  24.83 +/- 1.35   0.143% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 3.47, residual support = 11.1:
          HN    THR   77 - HN    THR   46   5.12 +/- 4.26 100.000% *100.0000% (1.00   3.47  11.15) = 100.000%  kept
    Distance limit 4.76 A violated in 4 structures by 1.44 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.29, residual support = 10.7:
      O   HA    ALA   47 - HN    ALA   47   2.92 +/- 0.02  60.837% * 96.8065% (0.90  10.0   2.31  10.78) =  98.455%  kept
          HA    CYS   50 - HN    ALA   47   4.35 +/- 1.34  31.282% *  2.9393% (0.73   1.0   0.75   6.94) =   1.537%  kept
          HA    TRP   49 - HN    ALA   47   6.81 +/- 0.64   5.798% *  0.0568% (0.53   1.0   0.02  16.04) =   0.006%
          HA    VAL  108 - HN    ALA   47  13.16 +/- 2.27   0.963% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    ALA   47  14.87 +/- 3.06   0.671% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  17.51 +/- 3.18   0.449% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 11.4:
      O   HA    THR   46 - HN    ALA   47   2.47 +/- 0.16  95.009% * 99.4016% (0.57  10.0   3.07  11.36) =  99.996%  kept
          HA    GLN   90 - HN    ALA   47  11.08 +/- 2.78   2.361% *  0.0599% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    ALA   47  12.12 +/- 1.51   1.031% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  15.32 +/- 0.65   0.414% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  15.33 +/- 3.08   0.870% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  20.16 +/- 4.28   0.242% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  27.90 +/- 1.96   0.073% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.832, support = 4.12, residual support = 14.2:
        T HN    TRP   49 - HN    SER   48   2.65 +/- 0.13  79.914% * 93.5788% (0.84 10.00   4.16  14.44) =  98.420%  kept
          HN    CYS   50 - HN    SER   48   4.72 +/- 1.11  18.895% *  6.3530% (0.61  1.00   1.87   0.02) =   1.580%  kept
          HN    VAL   83 - HN    SER   48  13.86 +/- 3.08   0.988% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  21.11 +/- 2.68   0.202% *  0.0461% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.893, support = 2.21, residual support = 6.31:
      O   HA    ALA   47 - HN    SER   48   2.30 +/- 0.09  86.438% * 88.5180% (0.90  10.0   2.20   6.26) =  98.991%  kept
          HA    TRP   49 - HN    SER   48   5.19 +/- 0.10   7.618% *  8.1449% (0.53   1.0   3.14  14.44) =   0.803%  kept
          HA    CYS   50 - HN    SER   48   6.22 +/- 0.76   5.025% *  3.1565% (0.73   1.0   0.88   0.02) =   0.205%  kept
          HA    VAL  108 - HN    SER   48  15.44 +/- 2.48   0.378% *  0.0790% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  16.92 +/- 3.14   0.306% *  0.0678% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  18.52 +/- 3.71   0.235% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.9, residual support = 86.0:
          HD1   TRP   49 - HN    TRP   49   2.32 +/- 0.52  93.849% * 98.2897% (0.92   4.90  85.99) =  99.981%  kept
          QE    PHE   95 - HN    TRP   49  11.61 +/- 2.77   2.930% *  0.2810% (0.65   0.02   0.02) =   0.009%
          HN    LEU   67 - HN    TRP   49  18.84 +/- 4.68   1.467% *  0.4258% (0.98   0.02   0.02) =   0.007%
          HD2   HIS   22 - HN    TRP   49  20.08 +/- 4.25   0.299% *  0.3478% (0.80   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    TRP   49  12.50 +/- 0.85   0.926% *  0.1083% (0.25   0.02   0.02) =   0.001%
          HN    THR   23 - HN    TRP   49  19.67 +/- 2.82   0.218% *  0.2984% (0.69   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    TRP   49  20.31 +/- 2.48   0.226% *  0.0860% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  31.09 +/- 3.36   0.086% *  0.1630% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.16, residual support = 14.4:
        T HN    SER   48 - HN    TRP   49   2.65 +/- 0.13 100.000% *100.0000% (0.84 10.00   4.16  14.44) = 100.000%  kept
    Distance limit 3.78 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 = 0.943, support = 2.13, residual support = 6.58:
      O   HA    CYS   50 - HN    CYS   50   2.36 +/- 0.24  60.881% * 50.2541% (0.98  10.0   1.86   7.49) =  68.084%  kept
      O   HA    TRP   49 - HN    CYS   50   3.26 +/- 0.39  29.699% * 47.7966% (0.87  10.0   2.71   4.62) =  31.588%  kept
          HA    ALA   47 - HN    CYS   50   5.05 +/- 1.20   8.109% *  1.8148% (0.57   1.0   1.16   6.94) =   0.327%  kept
          HA1   GLY  109 - HN    CYS   50  16.60 +/- 4.23   0.373% *  0.0532% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  15.62 +/- 3.52   0.746% *  0.0247% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  20.27 +/- 2.69   0.112% *  0.0378% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.54 +/- 3.68   0.080% *  0.0188% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.859, support = 4.57, residual support = 79.7:
      O   HA    TRP   49 - HN    TRP   49   2.88 +/- 0.10  56.595% * 79.2993% (0.87  10.0   4.71  85.99) =  91.743%  kept
          HA    ALA   47 - HN    TRP   49   3.77 +/- 0.21  26.195% *  7.8164% (0.57   1.0   3.02  16.04) =   4.185%  kept
          HA    CYS   50 - HN    TRP   49   4.55 +/- 0.45  15.726% * 12.6611% (0.98   1.0   2.83   4.62) =   4.070%  kept
          HA1   GLY  109 - HN    TRP   49  17.10 +/- 3.60   0.439% *  0.0882% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    TRP   49  16.02 +/- 2.89   0.610% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    TRP   49  19.97 +/- 2.96   0.218% *  0.0628% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.41 +/- 4.17   0.218% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 2.31, residual support = 86.0:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  91.910% * 99.6863% (0.92  10.0   2.31  85.99) =  99.996%  kept
          HN    LEU   67 - HE1   TRP   49  19.58 +/- 5.04   2.846% *  0.0655% (0.61   1.0   0.02   0.02) =   0.002%
          QE    PHE   95 - HE1   TRP   49  10.97 +/- 3.21   4.639% *  0.0240% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE1   TRP   49  20.84 +/- 3.76   0.285% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  20.06 +/- 2.82   0.252% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.94 +/- 3.33   0.067% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.979, support = 1.37, residual support = 1.35:
      O   HA    CYS   50 - HN    GLY   51   2.87 +/- 0.35  67.429% * 94.9941% (0.98  10.0   1.38   1.36) =  98.829%  kept
          HA    TRP   49 - HN    GLY   51   5.29 +/- 0.94  16.293% *  4.5828% (0.87   1.0   0.75   0.02) =   1.152%  kept
          HA    VAL  108 - HN    GLY   51  15.75 +/- 3.97   8.959% *  0.0631% (0.45   1.0   0.02   0.02) =   0.009%
          HA    ALA   47 - HN    GLY   51   7.49 +/- 1.35   5.482% *  0.0797% (0.57   1.0   0.02   0.02) =   0.007%
          HA1   GLY  109 - HN    GLY   51  16.24 +/- 4.80   1.551% *  0.1358% (0.97   1.0   0.02   0.02) =   0.003%
          HA    CYS   21 - HN    GLY   51  21.89 +/- 2.26   0.193% *  0.0966% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  27.61 +/- 3.51   0.093% *  0.0480% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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   2.51 +/- 0.30  94.087% * 99.5416% (0.92  10.0   2.74  10.17) =  99.996%  kept
          HA    ALA   57 - HN    GLY   51  10.18 +/- 1.61   1.845% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    GLY   51  16.46 +/- 3.76   0.689% *  0.0824% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    GLY   51  12.36 +/- 3.11   1.107% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.17 +/- 1.77   1.158% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  27.89 +/- 3.85   0.155% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.72 +/- 3.44   0.411% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  19.37 +/- 3.34   0.322% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.16 +/- 3.07   0.155% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  34.96 +/- 6.59   0.071% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 6.18, residual support = 31.7:
        T HN    ARG+  54 - HN    CYS   53   2.68 +/- 0.11  98.012% * 99.1159% (0.98 10.00   6.18  31.73) =  99.987%  kept
        T HN    ASP-  62 - HN    CYS   53  12.05 +/- 2.04   1.719% *  0.7343% (0.73 10.00   0.02   0.02) =   0.013%
          HN    LEU   31 - HN    CYS   53  25.04 +/- 2.62   0.161% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.28 +/- 3.21   0.109% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.18, residual support = 31.7:
        T HN    CYS   53 - HN    ARG+  54   2.68 +/- 0.11  95.648% * 99.6035% (0.85 10.00   6.18  31.73) =  99.996%  kept
        T HN    CYS   53 - HN    ASP-  62  12.05 +/- 2.04   1.677% *  0.1864% (0.16 10.00   0.02   0.02) =   0.003%
          HN    LEU   80 - HN    ARG+  54  17.62 +/- 4.13   0.962% *  0.0763% (0.65  1.00   0.02   0.02) =   0.001%
          HN    LEU   80 - HN    ASP-  62  17.07 +/- 2.83   0.719% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.41 +/- 3.34   0.143% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  25.67 +/- 2.78   0.130% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.18 +/- 2.37   0.343% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  20.09 +/- 2.84   0.378% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.529, support = 0.02, residual support = 0.02:
          HN    TRP   87 - HN    ARG+  54  19.65 +/- 4.00  16.136% * 29.7440% (0.69   0.02   0.02) =  36.881%  kept
          HD21  ASN   69 - HN    ARG+  54  22.33 +/- 4.72  10.760% * 31.3037% (0.72   0.02   0.02) =  25.885%  kept
          HD21  ASN   69 - HN    ASP-  62  14.07 +/- 2.22  29.969% *  5.8573% (0.14   0.02   0.02) =  13.490%  kept
          HN    GLN   17 - HN    ARG+  54  24.01 +/- 3.37   5.760% * 23.1904% (0.54   0.02   0.02) =  10.265%  kept
          HN    GLN   17 - HN    ASP-  62  15.03 +/- 2.63  26.588% *  4.3392% (0.10   0.02   0.02) =   8.866%  kept
          HN    TRP   87 - HN    ASP-  62  19.02 +/- 2.25  10.786% *  5.5654% (0.13   0.02   0.02) =   4.613%  kept
    Distance limit 3.92 A violated in 20 structures by 7.44 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 22.8:
          HN    PHE   55 - HN    ILE   56   2.65 +/- 0.21  89.180% * 99.1200% (0.95   3.95  22.77) =  99.988%  kept
          HN    ALA   88 - HN    ILE   56  20.17 +/- 4.06   1.126% *  0.4599% (0.87   0.02   0.02) =   0.006%
          HN    ASP-  62 - HN    ILE   56   9.19 +/- 1.13   2.722% *  0.1636% (0.31   0.02   0.02) =   0.005%
          HN    ALA   88 - HZ2   TRP   87   8.62 +/- 0.34   2.714% *  0.0200% (0.04   0.02   4.93) =   0.001%
          HN    LEU   31 - HN    ILE   56  24.57 +/- 2.82   0.180% *  0.1990% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  14.06 +/- 6.67   2.665% *  0.0086% (0.02   0.02   1.75) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.25 +/- 5.05   0.921% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  17.67 +/- 2.56   0.492% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.01, residual support = 31.1:
          HN    ALA   57 - HN    ILE   56   3.29 +/- 0.67  71.900% * 91.3911% (0.87   5.06  31.40) =  98.922%  kept
          HE21  GLN  116 - HN    ILE   56  10.20 +/- 3.70   8.824% *  8.0104% (0.80   0.48   0.02) =   1.064%  kept
          HN    ALA  120 - HN    ILE   56  13.06 +/- 2.15   2.497% *  0.1712% (0.41   0.02   0.02) =   0.006%
          HN    ALA   57 - HZ2   TRP   87  20.30 +/- 5.39  14.477% *  0.0157% (0.04   0.02   0.02) =   0.003%
          HE21  GLN   90 - HN    ILE   56  19.49 +/- 3.49   0.597% *  0.3735% (0.90   0.02   0.02) =   0.003%
          HE21  GLN   90 - HZ2   TRP   87  15.24 +/- 1.12   0.955% *  0.0162% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  22.42 +/- 3.45   0.382% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.67 +/- 3.28   0.368% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.28 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.159, support = 4.99, residual support = 124.9:
      O   HA    ILE   56 - HN    ILE   56   2.80 +/- 0.17  78.561% * 87.8094% (0.15  10.0   5.02 125.67) =  99.425%  kept
          HA    PRO   58 - HN    ILE   56   7.65 +/- 0.50   4.244% *  8.9338% (0.95   1.0   0.33   0.02) =   0.546%  kept
          HA    THR   46 - HN    ILE   56   9.96 +/- 2.11   2.995% *  0.4557% (0.80   1.0   0.02   0.02) =   0.020%
          HA    LEU   40 - HN    ILE   56  21.92 +/- 3.31   0.204% *  0.4754% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  20.77 +/- 3.12   0.230% *  0.4133% (0.73   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  16.51 +/- 3.21   0.725% *  0.1267% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  25.00 +/- 2.42   0.119% *  0.5492% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  17.36 +/- 2.39   0.391% *  0.1126% (0.20   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  29.97 +/- 3.66   0.073% *  0.5492% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HZ2   TRP   87  19.95 +/- 4.49   1.638% *  0.0234% (0.04   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  28.64 +/- 3.76   0.083% *  0.4133% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.03 +/- 2.55   1.501% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  11.70 +/- 4.13   4.693% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  15.96 +/- 5.09   1.093% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.78 +/- 5.06   2.286% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  19.50 +/- 4.27   0.353% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  20.82 +/- 4.03   0.262% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  22.34 +/- 5.71   0.263% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  25.34 +/- 3.86   0.130% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  24.78 +/- 4.24   0.155% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.06, residual support = 31.4:
          HN    ILE   56 - HN    ALA   57   3.29 +/- 0.67  74.843% * 98.5347% (0.98   5.06  31.40) =  99.937%  kept
          HN    LEU   63 - HN    ALA   57   8.69 +/- 1.01   6.233% *  0.3668% (0.92   0.02   0.02) =   0.031%
          HZ2   TRP   87 - HN    ALA   57  20.30 +/- 5.39  14.959% *  0.0696% (0.18   0.02   0.02) =   0.014%
          HN    LYS+ 111 - HN    ALA   57  14.58 +/- 3.13   2.106% *  0.3564% (0.90   0.02   0.02) =   0.010%
          HN    ALA   84 - HN    ALA   57  20.05 +/- 4.50   1.300% *  0.3564% (0.90   0.02   0.02) =   0.006%
          HD21  ASN   28 - HN    ALA   57  23.96 +/- 3.89   0.380% *  0.1227% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   57  29.60 +/- 4.01   0.179% *  0.1934% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.26 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.32, residual support = 20.1:
        T HN    PHE   60 - HN    PHE   59   2.72 +/- 0.19  93.570% * 97.7864% (0.47 10.00   4.32  20.14) =  99.980%  kept
        T HN    THR  118 - HN    PHE   59   9.51 +/- 0.57   2.400% *  0.6051% (0.29 10.00   0.02  12.50) =   0.016%
        T HN    GLU-  15 - HN    PHE   59  22.61 +/- 2.39   0.191% *  1.5803% (0.76 10.00   0.02   0.02) =   0.003%
          HN    GLN  116 - HN    PHE   59   8.25 +/- 0.89   3.839% *  0.0282% (0.14  1.00   0.02   0.49) =   0.001%
    Distance limit 3.37 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 = 0.263, support = 4.73, residual support = 55.9:
      O   HA    PHE   59 - HN    PHE   59   2.79 +/- 0.06  68.730% * 86.5364% (0.24  10.0   4.96  58.01) =  94.424%  kept
          HA    ILE   56 - HN    PHE   59   4.12 +/- 0.83  28.279% * 12.3954% (0.69   1.0   0.99  20.24) =   5.565%  kept
          HA    ASP- 113 - HN    PHE   59  10.89 +/- 1.05   1.297% *  0.2514% (0.69   1.0   0.02   0.02) =   0.005%
          HA    LEU  123 - HN    PHE   59  12.65 +/- 1.59   0.941% *  0.2245% (0.62   1.0   0.02   0.02) =   0.003%
          HA    LYS+  99 - HN    PHE   59  20.07 +/- 2.91   0.266% *  0.2779% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  24.47 +/- 2.64   0.130% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  18.24 +/- 2.64   0.357% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.44, residual support = 24.1:
      O   HA    ALA   57 - HN    ALA   57   2.74 +/- 0.20  93.277% * 99.2309% (0.76  10.0   4.45  24.14) =  99.993%  kept
          HA1   GLY   51 - HN    ALA   57  10.95 +/- 1.13   1.755% *  0.1273% (0.98   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    ALA   57  19.04 +/- 5.72   1.205% *  0.1287% (0.99   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ALA   57  15.26 +/- 4.31   1.166% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   57  12.66 +/- 2.29   1.296% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ALA   57  21.73 +/- 4.23   0.758% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   57  23.24 +/- 3.11   0.234% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  21.37 +/- 2.73   0.237% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  32.45 +/- 4.95   0.072% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.977, support = 4.61, residual support = 31.3:
      O   HA    ILE   56 - HN    ALA   57   2.77 +/- 0.49  78.878% * 90.7666% (0.99  10.0   4.58  31.40) =  97.850%  kept
          HA    PRO   58 - HN    ALA   57   4.88 +/- 0.27  17.821% *  8.8172% (0.34   1.0   5.65  25.25) =   2.148%  kept
          HA    ASP- 113 - HN    ALA   57  12.00 +/- 1.73   1.529% *  0.0518% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   57  15.19 +/- 2.68   0.860% *  0.0914% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  22.63 +/- 2.77   0.244% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  20.80 +/- 2.94   0.268% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  26.85 +/- 3.34   0.109% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  23.37 +/- 2.41   0.191% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  28.41 +/- 3.54   0.100% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.606, support = 5.25, residual support = 41.3:
        T HN    PHE   60 - HN    ALA   61   2.81 +/- 0.22  96.297% * 97.7864% (0.61 10.00   5.25  41.31) =  99.983%  kept
        T HN    THR  118 - HN    ALA   61  11.63 +/- 1.10   1.571% *  0.6051% (0.38 10.00   0.02   0.02) =   0.010%
        T HN    GLU-  15 - HN    ALA   61  19.12 +/- 2.45   0.384% *  1.5803% (0.98 10.00   0.02   0.02) =   0.006%
          HN    GLN  116 - HN    ALA   61  11.13 +/- 1.28   1.748% *  0.0282% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 0.555, support = 4.25, residual support = 30.8:
          QD    PHE   60 - HN    ALA   61   3.45 +/- 0.76  55.052% * 49.3880% (0.57   4.77  41.31) =  74.093%  kept
          HN    PHE   59 - HN    ALA   61   4.56 +/- 0.34  28.049% * 24.0935% (0.41   3.20   0.73) =  18.416%  kept
          QE    PHE   59 - HN    ALA   61   6.82 +/- 1.00  10.465% * 26.0683% (0.80   1.78   0.73) =   7.434%  kept
          HN    LYS+  66 - HN    ALA   61   7.90 +/- 1.12   5.675% *  0.3588% (0.98   0.02   0.02) =   0.055%
          HN    LYS+  81 - HN    ALA   61  19.11 +/- 3.41   0.760% *  0.0913% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.15 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 = 0.952, support = 0.891, residual support = 0.877:
          HA    PRO   58 - HN    ALA   61   4.07 +/- 0.81  64.716% * 73.4402% (0.97   0.91   0.87) =  96.893%  kept
          HA    ILE   56 - HN    ALA   61   7.81 +/- 0.63  13.137% *  6.4417% (0.41   0.19   1.71) =   1.725%  kept
          HA    LEU   40 - HN    ALA   61  15.58 +/- 2.82   5.322% *  7.4190% (1.00   0.09   0.02) =   0.805%  kept
          HA    GLN   17 - HN    ALA   61  13.82 +/- 3.56   2.761% *  6.2628% (0.38   0.20   0.02) =   0.353%  kept
          HA    THR   46 - HN    ALA   61  10.15 +/- 2.98   5.425% *  0.7463% (0.45   0.02   0.02) =   0.083%
          HA    LEU  123 - HN    ALA   61  14.04 +/- 1.52   2.596% *  0.8758% (0.53   0.02   0.02) =   0.046%
          HA    GLU-  15 - HN    ALA   61  17.84 +/- 2.14   1.025% *  1.5747% (0.95   0.02   0.02) =   0.033%
          HA    LYS+  99 - HN    ALA   61  17.72 +/- 2.97   2.662% *  0.4151% (0.25   0.02   0.02) =   0.023%
          HA    SER   13 - HN    ALA   61  23.09 +/- 2.48   0.526% *  1.5747% (0.95   0.02   0.02) =   0.017%
          HA    ASN   35 - HN    ALA   61  21.59 +/- 2.70   1.045% *  0.6248% (0.38   0.02   0.02) =   0.013%
          HA    SER   37 - HN    ALA   61  21.99 +/- 2.78   0.786% *  0.6248% (0.38   0.02   0.02) =   0.010%
    Distance limit 4.04 A violated in 0 structures by 0.33 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.522, support = 1.48, residual support = 0.876:
          HA    ALA   57 - HN    ALA   61   5.27 +/- 1.38  51.583% * 47.5209% (0.41   1.73   1.09) =  75.683%  kept
          HA    ASP-  44 - HN    ALA   61   9.02 +/- 2.08  17.314% * 43.5218% (0.87   0.75   0.22) =  23.266%  kept
          HB    THR   77 - HN    ALA   61  13.38 +/- 4.05  10.692% *  1.2351% (0.92   0.02   0.02) =   0.408%  kept
          HA    ILE  103 - HN    ALA   61  17.32 +/- 2.70   4.147% *  1.3115% (0.98   0.02   0.02) =   0.168%  kept
          HA    THR   39 - HN    ALA   61  18.03 +/- 2.65   4.493% *  1.1176% (0.84   0.02   0.02) =   0.155%  kept
          HA    GLU-  79 - HN    ALA   61  16.52 +/- 4.20   3.261% *  1.1999% (0.90   0.02   0.02) =   0.121%  kept
          HA1   GLY   51 - HN    ALA   61  14.75 +/- 1.31   3.534% *  0.9716% (0.73   0.02   0.02) =   0.106%  kept
          HA    SER   85 - HN    ALA   61  20.30 +/- 2.69   1.188% *  1.2351% (0.92   0.02   0.02) =   0.045%
          HA    MET   11 - HN    ALA   61  27.24 +/- 3.87   0.688% *  1.1176% (0.84   0.02   0.02) =   0.024%
          HA    GLU-  14 - HN    ALA   61  20.45 +/- 2.26   1.345% *  0.2064% (0.15   0.02   0.02) =   0.009%
          HA    ASP-  86 - HN    ALA   61  21.59 +/- 2.41   0.979% *  0.2648% (0.20   0.02   0.02) =   0.008%
          HA    ALA   12 - HN    ALA   61  24.93 +/- 2.99   0.775% *  0.2979% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.57 A violated in 6 structures by 0.84 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.60 +/- 0.15  93.448% * 99.7221% (0.98 10.00   5.85  42.40) =  99.995%  kept
          HN    ARG+  54 - HN    LEU   63  12.24 +/- 2.80   3.917% *  0.0939% (0.92  1.00   0.02   0.02) =   0.004%
          HN    PHE   55 - HN    LEU   63  12.03 +/- 2.16   1.973% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LEU   31 - HN    LEU   63  17.64 +/- 2.26   0.422% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  19.60 +/- 2.29   0.241% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 6.84, residual support = 54.5:
        T HN    ALA   64 - HN    LEU   63   2.79 +/- 0.20 100.000% *100.0000% (0.97 10.00   6.84  54.47) = 100.000%  kept
    Distance limit 3.44 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 = 4.8, residual support = 29.2:
        T HN    LYS+  65 - HN    ALA   64   2.66 +/- 0.23 100.000% *100.0000% (0.97 10.00   4.80  29.19) = 100.000%  kept
    Distance limit 3.63 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 = 6.84, residual support = 54.5:
          HN    LEU   63 - HN    ALA   64   2.79 +/- 0.20  96.146% * 99.0066% (0.99   6.84  54.47) =  99.992%  kept
          HN    ILE   56 - HN    ALA   64  12.04 +/- 1.47   1.409% *  0.2764% (0.95   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HN    ALA   64  15.93 +/- 2.44   0.777% *  0.1201% (0.41   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA   64  17.59 +/- 2.48   0.520% *  0.1772% (0.61   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  17.93 +/- 1.53   0.419% *  0.1772% (0.61   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ALA   64  18.26 +/- 1.96   0.405% *  0.1772% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  21.67 +/- 3.10   0.325% *  0.0651% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.8, residual support = 29.2:
        T HN    ALA   64 - HN    LYS+  65   2.66 +/- 0.23 100.000% *100.0000% (0.67 10.00   4.80  29.19) = 100.000%  kept
    Distance limit 3.51 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 = 0.674, support = 6.36, residual support = 30.1:
          HN    LYS+  66 - HN    LYS+  65   2.64 +/- 0.18  83.787% * 93.2696% (0.68   6.42  30.36) =  99.042%  kept
          QD    PHE   60 - HN    LYS+  65   6.37 +/- 1.25  11.890% *  6.2970% (0.39   0.75   0.02) =   0.949%  kept
          QE    PHE   59 - HN    LYS+  65   9.40 +/- 1.17   2.071% *  0.2375% (0.55   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    LYS+  65   9.44 +/- 1.10   1.978% *  0.1219% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    LYS+  65  19.26 +/- 2.40   0.274% *  0.0740% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.666, support = 1.09, residual support = 4.09:
          HA    ASP-  62 - HN    LYS+  65   3.80 +/- 0.48  96.431% * 96.5238% (0.67   1.09   4.10) =  99.948%  kept
          HB    THR   26 - HN    LYS+  65  16.57 +/- 1.57   1.456% *  1.8206% (0.68   0.02   0.02) =   0.028%
          HA    SER  117 - HN    LYS+  65  16.17 +/- 1.70   1.467% *  1.3338% (0.50   0.02   0.02) =   0.021%
          HA    SER   82 - HN    LYS+  65  21.97 +/- 2.45   0.647% *  0.3217% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.07 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.42, residual support = 30.4:
        T HN    LYS+  65 - HN    LYS+  66   2.64 +/- 0.18 100.000% *100.0000% (0.97 10.00   6.42  30.36) = 100.000%  kept
    Distance limit 3.28 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 = 5.15, residual support = 117.4:
      O   HA    LYS+  66 - HN    LYS+  66   2.91 +/- 0.03  99.247% * 99.9389% (0.97  10.0   5.15 117.40) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  21.11 +/- 3.33   0.401% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  20.55 +/- 2.75   0.352% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.0781, support = 2.65, residual support = 47.6:
          HD22  ASN   28 - HE3   TRP   27   5.23 +/- 0.27  94.549% * 94.3588% (0.08   2.66  47.75) =  99.657%  kept
          HD22  ASN   28 - HN    LEU   67  18.39 +/- 2.70   5.451% *  5.6412% (0.61   0.02   0.02) =   0.343%  kept
    Distance limit 4.53 A violated in 0 structures by 0.70 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.04, residual support = 60.6:
      O   HA    LEU   67 - HN    LEU   67   2.63 +/- 0.26  96.598% * 99.9623% (1.00  10.0   6.04  60.58) = 100.000%  kept
          HA    ASP-  76 - HN    LEU   67  13.50 +/- 2.09   1.066% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  14.74 +/- 1.92   0.767% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  12.18 +/- 3.09   1.570% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.9, residual support = 14.1:
      O   HA    LYS+  66 - HN    LEU   67   3.49 +/- 0.17  93.522% * 99.9186% (0.97  10.0   4.90  14.13) =  99.999%  kept
          HA    GLU-  36 - HN    LEU   67  19.64 +/- 3.49   0.965% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  15.99 +/- 2.25   1.795% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  21.16 +/- 2.30   0.470% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  17.11 +/- 5.81   2.041% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.20 +/- 1.16   1.207% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 25.5:
        T HN    VAL   70 - HN    ASN   69   2.31 +/- 0.56  99.375% * 99.9644% (0.87 10.00   5.26  25.51) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.98 +/- 3.42   0.625% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.35, residual support = 59.3:
      O   HA    ASN   69 - HN    ASN   69   2.83 +/- 0.11  97.402% * 99.8231% (0.76  10.0   5.35  59.26) =  99.998%  kept
          HA    VAL   43 - HN    ASN   69  12.77 +/- 2.00   2.117% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  19.78 +/- 2.64   0.480% *  0.1133% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 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 = 3.16, residual support = 59.3:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.591% * 99.9103% (0.52  10.0 10.00   3.16  59.26) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.44 +/- 2.29   0.349% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  24.82 +/- 4.41   0.060% *  0.0241% (0.12   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 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.16, residual support = 59.3:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.360% * 99.7566% (0.52  10.0   3.16  59.26) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  11.43 +/- 2.35   0.519% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  23.87 +/- 2.83   0.043% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  20.69 +/- 3.48   0.077% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 2.01, residual support = 45.4:
          QE    PHE   72 - HN    VAL   70   4.29 +/- 0.71  98.143% * 97.8715% (0.45   2.01  45.40) =  99.959%  kept
          HD22  ASN   28 - HN    VAL   70  17.35 +/- 2.24   1.857% *  2.1285% (0.98   0.02   0.02) =   0.041%
    Distance limit 4.52 A violated in 0 structures by 0.17 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.26, residual support = 25.5:
        T HN    ASN   69 - HN    VAL   70   2.31 +/- 0.56  97.895% * 99.8277% (0.76 10.00   5.26  25.51) =  99.999%  kept
          HN    ASN   28 - HN    VAL   70  17.40 +/- 2.00   0.407% *  0.1236% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    VAL   70  11.05 +/- 1.67   1.455% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  20.49 +/- 2.01   0.242% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.03, residual support = 1.03:
          HA    PRO   68 - HN    VAL   70   4.14 +/- 0.49 100.000% *100.0000% (0.99   1.03   1.03) = 100.000%  kept
    Distance limit 4.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 79.6:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.03  73.585% * 99.2525% (0.84  10.0   3.89  79.58) =  99.980%  kept
          HA    VAL   18 - HN    VAL   70   8.04 +/- 2.69   6.590% *  0.1147% (0.97   1.0   0.02   0.02) =   0.010%
          HB2   SER   37 - HN    VAL   70  10.67 +/- 3.00  16.181% *  0.0235% (0.20   1.0   0.02   0.02) =   0.005%
          HA    LYS+  33 - HN    VAL   70  14.81 +/- 3.80   1.098% *  0.1186% (1.00   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   70  16.36 +/- 3.10   0.614% *  0.0993% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   70  17.65 +/- 2.41   0.404% *  0.1165% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   70  20.76 +/- 4.38   0.468% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  16.36 +/- 2.85   0.539% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  25.61 +/- 2.57   0.120% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  23.83 +/- 1.61   0.143% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  21.71 +/- 3.45   0.257% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 6.62, residual support = 138.3:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.03  95.225% * 99.9402% (1.00  10.0   6.62 138.26) =  99.999%  kept
          HA    VAL   43 - HN    LEU   71   9.85 +/- 2.06   3.289% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  12.06 +/- 1.08   1.486% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 0.999, support = 5.62, residual support = 33.7:
      O   HA    VAL   70 - HN    LEU   71   2.22 +/- 0.06  84.503% * 94.8669% (1.00  10.0   5.63  33.81) =  99.719%  kept
          HA    VAL   18 - HN    LEU   71   7.11 +/- 2.43   4.676% *  4.7409% (0.69   1.0   1.46   0.02) =   0.276%  kept
          HB2   SER   37 - HN    LEU   71   8.41 +/- 2.13   3.838% *  0.0462% (0.49   1.0   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    LEU   71  12.04 +/- 2.95   1.124% *  0.0823% (0.87   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LEU   71   7.74 +/- 3.62   4.749% *  0.0188% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  17.52 +/- 3.64   0.512% *  0.0949% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.75 +/- 2.24   0.392% *  0.0689% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  24.48 +/- 3.23   0.076% *  0.0575% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  21.28 +/- 2.98   0.131% *  0.0237% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.997, support = 2.18, residual support = 2.81:
          HA    VAL   41 - HN    LEU   71   5.46 +/- 2.22  78.320% * 98.7306% (1.00   2.18   2.81) =  99.810%  kept
          HA    HIS  122 - HN    LEU   71  13.95 +/- 5.52  14.847% *  0.7566% (0.84   0.02   0.02) =   0.145%  kept
          HA    PHE   45 - HN    LEU   71  14.79 +/- 1.81   6.833% *  0.5128% (0.57   0.02   0.02) =   0.045%
    Distance limit 4.09 A violated in 8 structures by 1.59 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.701, support = 2.05, residual support = 0.992:
          HN    VAL   42 - HN    LEU   71   6.10 +/- 1.99  47.881% * 34.5542% (0.61   2.29   1.16) =  49.938%  kept
          HN    ILE   19 - HN    LEU   71   7.82 +/- 1.87  30.464% * 27.3996% (0.98   1.12   0.64) =  25.194%  kept
          HN    LEU   73 - HN    LEU   71   7.42 +/- 0.23  21.655% * 38.0463% (0.61   2.52   1.01) =  24.868%  kept
    Distance limit 4.62 A violated in 0 structures by 0.56 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.6, residual support = 90.3:
          QD    PHE   72 - HN    PHE   72   2.39 +/- 0.37  96.619% * 98.9192% (0.45   5.61  90.29) =  99.981%  kept
          HD22  ASN   69 - HN    PHE   72   9.64 +/- 1.07   2.175% *  0.5716% (0.73   0.02   0.02) =   0.013%
          QE    PHE   45 - HN    PHE   72  11.37 +/- 1.59   1.206% *  0.5092% (0.65   0.02   0.02) =   0.006%
    Distance limit 3.85 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 = 5.05, residual support = 90.3:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.03 100.000% *100.0000% (0.53  10.0   5.05  90.29) = 100.000%  kept
    Distance limit 4.27 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 = 5.42, residual support = 19.2:
      O   HA    LEU   71 - HN    PHE   72   2.32 +/- 0.12  91.401% * 99.9402% (1.00  10.0   5.42  19.16) =  99.998%  kept
          HA    VAL   43 - HN    PHE   72   7.74 +/- 2.54   6.278% *  0.0223% (0.22   1.0   0.02   0.02) =   0.002%
          HA    ALA   20 - HN    PHE   72   8.88 +/- 1.84   2.321% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 0.599, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.86 +/- 1.15  20.214% * 29.8815% (0.73   0.02   0.02) =  36.851%  kept
          HA    ASP-  78 - HN    PHE   72  18.47 +/- 0.80  10.325% * 39.7133% (0.97   0.02   0.02) =  25.015%  kept
          HA    PHE   45 - HN    PHE   72  12.23 +/- 2.29  37.239% *  7.2068% (0.18   0.02   0.02) =  16.373%  kept
          HB    THR   23 - HN    PHE   72  15.33 +/- 1.33  19.614% *  9.1616% (0.22   0.02   0.02) =  10.963%  kept
          HA    LEU   80 - HN    PHE   72  18.59 +/- 2.56  12.609% * 14.0368% (0.34   0.02   0.02) =  10.798%  kept
    Distance limit 4.49 A violated in 20 structures by 6.31 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.783, support = 0.02, residual support = 0.51:
          HD21  ASN   28 - HN    LEU   73  10.88 +/- 1.84  22.668% * 30.8446% (0.98   0.02   1.21) =  32.807%  kept
          HZ2   TRP   87 - HN    LEU   73  12.13 +/- 3.11  19.668% * 31.1892% (0.99   0.02   0.02) =  28.783%  kept
          QE    PHE   60 - HN    LEU   73   9.08 +/- 3.27  36.441% * 15.3170% (0.49   0.02   0.40) =  26.190%  kept
          HN    LEU   63 - HN    LEU   73  11.03 +/- 1.05  16.839% * 12.9368% (0.41   0.02   0.02) =  10.222%  kept
          HN    ILE   56 - HN    LEU   73  17.83 +/- 2.96   4.385% *  9.7124% (0.31   0.02   0.02) =   1.998%  kept
    Distance limit 4.61 A violated in 16 structures by 2.67 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.41, residual support = 172.7:
      O   HA    LEU   73 - HN    LEU   73   2.88 +/- 0.03 100.000% *100.0000% (0.95  10.0   6.41 172.65) = 100.000%  kept
    Distance limit 3.90 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 = 5.43, residual support = 43.0:
      O   HA    PHE   72 - HN    LEU   73   2.51 +/- 0.11 100.000% *100.0000% (0.53  10.0   5.43  42.98) = 100.000%  kept
    Distance limit 3.11 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 = 0.601, support = 2.73, residual support = 3.43:
          HA    VAL   43 - HN    LEU   73   5.80 +/- 3.21  40.493% * 52.2492% (0.53   3.28   4.69) =  66.744%  kept
          HA    LEU   71 - HN    LEU   73   6.35 +/- 0.08  21.581% * 43.0965% (0.84   1.71   1.01) =  29.341%  kept
          HA    ALA   20 - HN    LEU   73   6.83 +/- 2.28  28.119% *  4.3664% (0.14   1.07   0.02) =   3.873%  kept
          HA    HIS   22 - HN    LEU   73  10.06 +/- 1.14   6.560% *  0.1197% (0.20   0.02   0.02) =   0.025%
          HA    ASN   69 - HN    LEU   73  12.01 +/- 0.55   3.247% *  0.1682% (0.28   0.02   0.02) =   0.017%
    Distance limit 4.38 A violated in 0 structures by 0.36 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.126, support = 4.14, residual support = 9.91:
        T HN    CYS   21 - HN    LYS+  74   4.14 +/- 2.79  72.694% * 95.8247% (0.12 10.00   4.17   9.98) =  99.264%  kept
        T HN    ILE  119 - HN    LYS+  74  18.03 +/- 3.22  15.134% *  3.0978% (0.40 10.00   0.02   0.02) =   0.668%  kept
          HN    ILE   89 - HN    LYS+  74  15.81 +/- 1.91   7.600% *  0.4381% (0.57  1.00   0.02   0.02) =   0.047%
          HN    SER   37 - HN    LYS+  74  16.25 +/- 1.74   2.157% *  0.5176% (0.67  1.00   0.02   0.02) =   0.016%
          HN    LYS+  38 - HN    LYS+  74  16.66 +/- 1.53   2.416% *  0.1218% (0.16  1.00   0.02   0.02) =   0.004%
    Distance limit 4.25 A violated in 2 structures by 0.46 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.568, support = 4.2, residual support = 17.7:
        T HN    ILE   19 - HN    LYS+  74   5.45 +/- 3.59  44.131% * 72.9894% (0.54 10.00   3.38   8.40) =  71.889%  kept
          HN    LEU   73 - HN    LYS+  74   4.40 +/- 0.32  46.785% * 26.9061% (0.64  1.00   6.28  41.48) =  28.094%  kept
          HN    VAL   42 - HN    LYS+  74   8.54 +/- 2.48   8.295% *  0.0857% (0.64  1.00   0.02   0.02) =   0.016%
          HN    LYS+ 106 - HN    LYS+  74  18.23 +/- 2.59   0.789% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.65, residual support = 41.5:
      O   HA    LEU   73 - HN    LYS+  74   2.57 +/- 0.20 100.000% *100.0000% (0.68  10.0   5.65  41.48) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.1, residual support = 186.7:
      O   HA    LYS+  74 - HN    LYS+  74   2.87 +/- 0.05  95.470% * 99.4309% (0.20  10.0   6.10 186.70) =  99.995%  kept
          HA    VAL   41 - HN    LYS+  74   9.72 +/- 2.45   3.514% *  0.0708% (0.14   1.0   0.02   0.02) =   0.003%
          HA    MET   92 - HN    LYS+  74  16.82 +/- 3.18   0.617% *  0.3102% (0.61   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    LYS+  74  19.12 +/- 3.12   0.399% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 0.676, support = 3.49, residual support = 6.8:
          HA    ALA   20 - HN    LYS+  74   3.92 +/- 3.24  77.700% * 92.0138% (0.68   3.56   6.97) =  97.570%  kept
          HA    LEU   71 - HN    LYS+  74   8.44 +/- 0.88  22.300% *  7.9862% (0.37   0.57   0.13) =   2.430%  kept
    Distance limit 3.78 A violated in 2 structures by 0.29 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.28, residual support = 31.9:
      O   HA    LYS+  74 - HN    VAL   75   2.21 +/- 0.04  99.217% * 99.7992% (0.61  10.0   6.28  31.92) =  99.999%  kept
          HA    MET   92 - HN    VAL   75  13.51 +/- 3.16   0.548% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  17.80 +/- 2.69   0.234% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 3.72, residual support = 35.8:
      O   HA    ASP-  76 - HN    ASP-  76   2.90 +/- 0.03  98.879% * 99.5538% (0.22  10.0   3.72  35.77) =  99.995%  kept
          HA    LEU   67 - HN    ASP-  76  14.70 +/- 2.37   1.121% *  0.4462% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.03 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 = 19.8:
      O   HA    VAL  107 - HN    VAL  108   2.19 +/- 0.01  96.031% * 99.5919% (0.65  10.0   3.97  19.75) =  99.998%  kept
          HA    LYS+ 111 - HN    VAL  108   8.44 +/- 1.50   2.775% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    VAL  108  12.58 +/- 2.12   0.632% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  16.54 +/- 3.76   0.439% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  21.82 +/- 3.07   0.124% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.979, support = 5.54, residual support = 28.3:
        T HN    ASP-  78 - HN    THR   77   2.63 +/- 0.19  91.505% * 96.7330% (0.98 10.00   5.56  28.36) =  99.719%  kept
          HN    VAL   75 - HN    THR   77   6.25 +/- 0.72   7.673% *  3.2498% (0.61  1.00   1.09   0.72) =   0.281%  kept
          HN    LYS+ 112 - HN    THR   77  17.10 +/- 3.48   0.822% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.56, residual support = 28.4:
        T HN    THR   77 - HN    ASP-  78   2.63 +/- 0.19 100.000% *100.0000% (1.00 10.00   5.56  28.36) = 100.000%  kept
    Distance limit 3.78 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 = 3.88, residual support = 19.0:
        T HN    GLU-  79 - HN    ASP-  78   2.54 +/- 0.14  98.347% * 99.9158% (0.99 10.00   3.88  19.01) =  99.999%  kept
          HN    THR   94 - HN    ASP-  78  10.75 +/- 2.28   1.653% *  0.0842% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 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 = 3.88, residual support = 19.0:
        T HN    ASP-  78 - HN    GLU-  79   2.54 +/- 0.14  97.327% * 99.3132% (0.56 10.00   3.88  19.01) =  99.981%  kept
          HN    VAL   75 - HN    GLU-  79   8.46 +/- 0.35   2.673% *  0.6868% (0.56  1.00   0.14   0.02) =   0.019%
    Distance limit 3.07 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 = 0.603, support = 4.4, residual support = 55.6:
      O   HA    GLU-  79 - HN    GLU-  79   2.66 +/- 0.17  85.031% * 94.5539% (0.60  10.0   4.41  56.01) =  99.352%  kept
          HB    THR   77 - HN    GLU-  79   5.49 +/- 0.44  10.518% *  4.9605% (0.37   1.0   1.71   0.02) =   0.645%  kept
          HA    ALA   57 - HN    GLU-  79  15.72 +/- 5.34   1.049% *  0.0729% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLU-  79  11.62 +/- 1.66   1.170% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.10 +/- 0.71   0.936% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  16.48 +/- 3.51   0.529% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    GLU-  79  19.76 +/- 3.46   0.490% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  23.48 +/- 1.49   0.135% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.30 +/- 5.27   0.141% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.0824, support = 3.84, residual support = 19.0:
      O   HA    ASP-  78 - HN    GLU-  79   3.53 +/- 0.10  89.469% * 98.7485% (0.08  10.0   3.85  19.01) =  99.920%  kept
          HA    PHE   45 - HN    GLU-  79   8.57 +/- 2.80   9.280% *  0.7232% (0.60   1.0   0.02   0.02) =   0.076%
          HA    VAL   41 - HN    GLU-  79  17.52 +/- 1.59   0.797% *  0.3839% (0.32   1.0   0.02   0.02) =   0.003%
          HA    HIS  122 - HN    GLU-  79  24.10 +/- 3.55   0.453% *  0.1444% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 4.74 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 = 11.0:
      O   HA    ASP-  76 - HN    THR   77   2.31 +/- 0.04  99.609% * 99.8354% (0.53  10.0   4.53  11.02) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  16.07 +/- 2.40   0.391% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.03 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 = 0.573, support = 1.16, residual support = 2.06:
          HA    ALA   47 - HN    THR   77   7.42 +/- 4.09  43.769% * 88.7645% (0.57   1.20   2.12) =  97.225%  kept
          HA    CYS   50 - HN    THR   77  10.99 +/- 3.69  15.455% *  2.5677% (0.98   0.02   0.02) =   0.993%  kept
          HA    CYS   21 - HN    THR   77  13.01 +/- 2.53  15.331% *  1.7994% (0.69   0.02   0.02) =   0.690%  kept
          HA    TRP   49 - HN    THR   77  12.42 +/- 3.56   8.391% *  2.2723% (0.87   0.02   0.02) =   0.477%  kept
          HA1   GLY  109 - HN    THR   77  17.08 +/- 3.25   4.478% *  2.5281% (0.97   0.02   0.02) =   0.283%  kept
          HA    VAL  108 - HN    THR   77  14.55 +/- 2.60   7.108% *  1.1744% (0.45   0.02   0.02) =   0.209%  kept
          HA    LYS+ 102 - HN    THR   77  20.68 +/- 3.59   5.467% *  0.8936% (0.34   0.02   0.02) =   0.122%  kept
    Distance limit 4.48 A violated in 11 structures by 2.15 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.271, support = 1.14, residual support = 10.6:
          HA    THR   46 - HN    THR   77   6.77 +/- 3.84  48.039% * 80.5329% (0.25   1.20  11.15) =  95.363%  kept
          HA    GLN   90 - HN    THR   77  10.29 +/- 3.65  23.638% *  3.7091% (0.69   0.02   0.02) =   2.161%  kept
          HA    PHE   55 - HN    THR   77  17.06 +/- 2.78   8.378% *  4.6839% (0.87   0.02   0.02) =   0.967%  kept
          HA    VAL   42 - HN    THR   77  13.56 +/- 1.08   7.888% *  4.6839% (0.87   0.02   0.02) =   0.911%  kept
          HA    GLN   17 - HN    THR   77  17.62 +/- 3.90   7.399% *  1.6666% (0.31   0.02   0.02) =   0.304%  kept
          HA    ALA  110 - HN    THR   77  18.21 +/- 3.26   2.987% *  3.0571% (0.57   0.02   0.02) =   0.225%  kept
          HA    SER   37 - HN    THR   77  25.51 +/- 1.71   1.671% *  1.6666% (0.31   0.02   0.02) =   0.069%
    Distance limit 4.39 A violated in 11 structures by 1.67 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.763, support = 4.01, residual support = 37.4:
      O   HB    THR   77 - HN    THR   77   3.33 +/- 0.30  76.946% * 97.2561% (0.76  10.0   4.02  37.48) =  99.701%  kept
          HA    GLU-  79 - HN    THR   77   6.57 +/- 0.54  10.907% *  1.9556% (0.28   1.0   1.11   0.02) =   0.284%  kept
          HA    ASP-  44 - HN    THR   77   8.75 +/- 2.18   5.713% *  0.1063% (0.84   1.0   0.02   0.02) =   0.008%
          HA    SER   85 - HN    THR   77  12.38 +/- 1.14   1.741% *  0.0973% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.13 +/- 1.55   1.224% *  0.1019% (0.80   1.0   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    THR   77  17.95 +/- 2.70   0.760% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    THR   77  14.64 +/- 2.92   1.304% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.07 +/- 2.90   0.273% *  0.0924% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  28.17 +/- 4.98   0.214% *  0.1104% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  26.68 +/- 3.70   0.198% *  0.1063% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  20.41 +/- 2.71   0.429% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  21.75 +/- 1.00   0.291% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.645, support = 5.31, residual support = 40.8:
        T HN    LEU   80 - HN    LYS+  81   3.68 +/- 0.50  81.887% * 94.5628% (0.65 10.00   5.35  41.17) =  99.177%  kept
          HN    SER   85 - HN    LYS+  81   6.64 +/- 0.29  15.387% *  4.1378% (0.45  1.00   1.26   0.02) =   0.815%  kept
        T HN    ALA   34 - HN    LYS+  81  24.26 +/- 5.70   0.372% *  1.1171% (0.76 10.00   0.02   0.02) =   0.005%
          HN    CYS   53 - HN    LYS+  81  17.76 +/- 3.43   1.819% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
          HN    GLN   32 - HN    LYS+  81  23.14 +/- 6.91   0.535% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 13.3:
        T HN    SER   82 - HN    LYS+  81   2.62 +/- 0.14  97.575% * 99.8569% (1.00 10.00   4.36  13.27) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  11.42 +/- 2.01   1.508% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    SER  117 - HN    LYS+  81  23.58 +/- 4.50   0.437% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  22.30 +/- 5.03   0.362% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  26.00 +/- 3.78   0.118% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.689, support = 5.81, residual support = 40.9:
      O   HA    LEU   80 - HN    LYS+  81   2.41 +/- 0.29  84.553% * 94.8551% (0.69  10.0   5.84  41.17) =  99.352%  kept
          HA    ASP-  78 - HN    LYS+  81   5.67 +/- 1.08  10.570% *  4.8985% (0.95   1.0   0.75   0.02) =   0.641%  kept
          HA    THR   23 - HN    LYS+  81  15.09 +/- 7.25   2.879% *  0.1354% (0.98   1.0   0.02   0.02) =   0.005%
          HB    THR   23 - HN    LYS+  81  16.58 +/- 7.04   1.798% *  0.0727% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  22.86 +/- 3.62   0.200% *  0.0384% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 5.37, residual support = 105.8:
      O   HA    LYS+  81 - HN    LYS+  81   2.80 +/- 0.05  97.860% * 99.7055% (0.99  10.0   5.37 105.78) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  20.18 +/- 3.40   0.368% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  19.56 +/- 7.41   0.848% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  21.09 +/- 3.67   0.692% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  31.68 +/- 4.67   0.133% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  30.48 +/- 5.20   0.099% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 3.89, residual support = 33.2:
      O   HA    SER   82 - HN    SER   82   2.79 +/- 0.03  96.938% * 98.7108% (0.25  10.0   3.89  33.24) =  99.991%  kept
          HA    GLU-  25 - HN    SER   82  18.79 +/- 8.50   1.286% *  0.3170% (0.80   1.0   0.02   0.02) =   0.004%
          HA    CYS   53 - HN    SER   82  19.52 +/- 3.54   0.490% *  0.3880% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    SER   82  20.86 +/- 3.98   0.291% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  20.46 +/- 7.33   0.602% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  24.37 +/- 4.40   0.394% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.316, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  22.77 +/- 3.56  37.260% * 67.5049% (0.41   0.02   0.02) =  55.232%  kept
          HB    THR   23 - HN    SER   82  17.14 +/- 7.28  62.740% * 32.4951% (0.20   0.02   0.02) =  44.768%  kept
    Distance limit 4.37 A violated in 20 structures by 10.75 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 = 19.0:
        T HN    VAL   83 - HN    SER   82   2.66 +/- 0.09  99.392% * 99.9274% (1.00 10.00   5.62  19.04) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.88 +/- 3.34   0.608% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 4.36, residual support = 13.3:
          HN    LYS+  81 - HN    SER   82   2.62 +/- 0.14  97.919% * 99.3120% (1.00   4.36  13.27) =  99.997%  kept
          QD    PHE   60 - HN    SER   82  17.69 +/- 3.57   0.426% *  0.3655% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  17.33 +/- 6.91   1.149% *  0.1016% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  22.30 +/- 2.53   0.190% *  0.1409% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  21.54 +/- 3.99   0.316% *  0.0799% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 7.54, residual support = 40.9:
        T HN    ALA   84 - HN    VAL   83   2.64 +/- 0.10  98.771% * 99.6823% (0.75 10.00   7.54  40.92) =  99.999%  kept
          HN    LYS+ 111 - HN    VAL   83  21.63 +/- 3.74   0.303% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  24.55 +/- 8.23   0.321% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.22 +/- 4.09   0.352% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.03 +/- 2.20   0.254% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 19.0:
        T HN    SER   82 - HN    VAL   83   2.66 +/- 0.09  97.344% * 99.8569% (0.75 10.00   5.62  19.04) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83  10.60 +/- 1.35   1.856% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    SER  117 - HN    VAL   83  23.25 +/- 3.58   0.292% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  19.86 +/- 5.03   0.366% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  25.09 +/- 3.93   0.141% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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   2.86 +/- 0.06  97.511% * 99.8725% (0.99 10.00   3.77  20.66) =  99.999%  kept
          HN    GLN   32 - HN    ALA   84  21.32 +/- 6.37   0.456% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ALA   84  11.54 +/- 1.26   1.725% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  22.33 +/- 5.20   0.308% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 7.54, residual support = 40.9:
        T HN    VAL   83 - HN    ALA   84   2.64 +/- 0.10  99.181% * 99.9274% (1.00 10.00   7.54  40.92) =  99.999%  kept
          HN    CYS   50 - HN    ALA   84  15.43 +/- 2.97   0.819% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 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 = 0.8, support = 2.24, residual support = 5.52:
          HA    LYS+  81 - HN    ALA   84   3.37 +/- 0.20  94.544% * 95.6658% (0.80   2.24   5.52) =  99.967%  kept
          HA    ASN   28 - HN    ALA   84  17.86 +/- 6.84   1.802% *  0.5185% (0.49   0.02   0.02) =   0.010%
          HA    ARG+  54 - HN    ALA   84  19.74 +/- 3.42   0.783% *  1.0281% (0.97   0.02   0.02) =   0.009%
          HA    LEU  115 - HN    ALA   84  18.62 +/- 3.04   1.337% *  0.4776% (0.45   0.02   0.02) =   0.007%
          HA    ALA  124 - HN    ALA   84  29.92 +/- 3.56   0.179% *  1.0629% (1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   84  28.44 +/- 4.77   0.203% *  0.7317% (0.69   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   84  21.82 +/- 5.71   0.743% *  0.1866% (0.18   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ALA   84  23.13 +/- 4.55   0.409% *  0.3288% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.19 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 = 0.509, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  18.95 +/- 3.75  20.241% * 27.0775% (0.70   0.02   0.02) =  31.992%  kept
          HA    GLU-  25 - HN    VAL   83  17.55 +/- 8.02  27.335% * 13.1508% (0.34   0.02   0.02) =  20.983%  kept
          HA    THR   26 - HN    VAL   83  19.05 +/- 7.06  15.968% * 21.2999% (0.55   0.02   0.02) =  19.854%  kept
          HA    ILE   19 - HN    VAL   83  19.46 +/- 3.93  12.653% * 20.1488% (0.52   0.02   0.02) =  14.881%  kept
          HA    GLU- 114 - HN    VAL   83  23.36 +/- 3.60   9.863% * 11.0089% (0.28   0.02   0.02) =   6.338%  kept
          HA1   GLY  101 - HN    VAL   83  22.24 +/- 6.22  13.940% *  7.3142% (0.19   0.02   0.02) =   5.952%  kept
    Distance limit 4.36 A violated in 20 structures by 7.53 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.573, support = 2.57, residual support = 5.06:
        T HN    SER   85 - HN    VAL   83   4.35 +/- 0.10  56.325% * 97.9507% (0.58 10.00   2.59   5.12) =  98.808%  kept
          HN    LEU   80 - HN    VAL   83   4.97 +/- 0.63  40.275% *  1.6395% (0.26  1.00   0.75   0.15) =   1.183%  kept
        T HN    CYS   53 - HN    VAL   83  18.85 +/- 3.74   1.256% *  0.2245% (0.13 10.00   0.02   0.02) =   0.005%
          HN    GLN   32 - HN    VAL   83  21.02 +/- 7.57   1.339% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  22.29 +/- 6.27   0.805% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.16, residual support = 10.3:
          HN    SER   82 - HN    ALA   84   3.87 +/- 0.15  85.768% * 99.2174% (0.87   4.16  10.30) =  99.940%  kept
          HN    GLN   90 - HN    ALA   84   8.22 +/- 1.67  12.605% *  0.3778% (0.69   0.02   0.02) =   0.056%
          HN    ILE  103 - HN    ALA   84  18.88 +/- 4.81   1.261% *  0.2677% (0.49   0.02   0.02) =   0.004%
          HN    GLY   16 - HN    ALA   84  24.93 +/- 3.25   0.366% *  0.1371% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.58 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 = 13.5:
          HN    ASP-  86 - HN    SER   85   2.46 +/- 0.11  98.882% * 97.4523% (0.80   3.33  13.45) =  99.994%  kept
          HN    LYS+  99 - HN    SER   85  20.40 +/- 4.35   0.376% *  0.4732% (0.65   0.02   0.02) =   0.002%
          HN    GLN   30 - HN    SER   85  20.85 +/- 5.68   0.272% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    SER   85  21.10 +/- 6.24   0.284% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  23.53 +/- 2.74   0.129% *  0.5311% (0.73   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  30.18 +/- 2.76   0.058% *  0.6345% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.43 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   2.86 +/- 0.06  93.823% * 97.8180% (0.90   3.77  20.66) =  99.985%  kept
          HN    ILE   56 - HN    SER   85  20.72 +/- 3.69   0.623% *  0.5672% (0.98   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HN    SER   85   9.06 +/- 0.74   3.163% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    SER   85  19.47 +/- 3.58   0.518% *  0.5190% (0.90   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    SER   85  17.33 +/- 7.51   1.353% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    LEU   63 - HN    SER   85  20.47 +/- 1.87   0.296% *  0.5342% (0.92   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    SER   85  26.11 +/- 7.16   0.224% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 2.59, residual support = 5.12:
        T HN    VAL   83 - HN    SER   85   4.35 +/- 0.10  97.378% * 99.9526% (0.87 10.00   2.59   5.12) =  99.999%  kept
          HN    CYS   50 - HN    SER   85  16.78 +/- 3.00   2.622% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.13 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.82 +/- 0.03  78.520% * 92.5623% (0.99  10.0   3.65  18.03) =  98.639%  kept
          HA    ASP-  86 - HN    SER   85   4.95 +/- 0.10  14.610% *  6.8292% (0.45   1.0   3.26  13.45) =   1.354%  kept
          HB    THR   77 - HN    SER   85   9.50 +/- 1.91   2.829% *  0.0926% (0.99   1.0   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    SER   85  10.31 +/- 0.85   1.779% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  13.86 +/- 1.39   0.719% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  18.49 +/- 4.29   0.492% *  0.0883% (0.95   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    SER   85  20.01 +/- 3.52   0.307% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.50 +/- 4.38   0.415% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  25.36 +/- 3.32   0.132% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  33.96 +/- 5.29   0.061% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  32.80 +/- 4.48   0.061% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  29.65 +/- 3.17   0.075% *  0.0350% (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 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.586, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    SER   85  18.41 +/- 3.13  15.056% * 14.2963% (0.61   0.02   0.02) =  20.544%  kept
          HA    THR   26 - HN    SER   85  21.44 +/- 5.81   9.025% * 23.1039% (0.98   0.02   0.02) =  19.901%  kept
          HA    GLU- 114 - HN    SER   85  21.55 +/- 3.71   9.106% * 17.1158% (0.73   0.02   0.02) =  14.875%  kept
          HA1   GLY  101 - HN    SER   85  22.28 +/- 5.70  10.557% * 13.3446% (0.57   0.02   0.02) =  13.447%  kept
          HA    ASN   28 - HN    SER   85  19.15 +/- 6.89  16.916% *  5.2476% (0.22   0.02   0.02) =   8.473%  kept
          HA    LEU  115 - HN    SER   85  19.26 +/- 3.09  11.682% *  5.8774% (0.25   0.02   0.02) =   6.553%  kept
          HA    ILE   19 - HN    SER   85  21.62 +/- 3.05   8.044% *  8.0401% (0.34   0.02   0.02) =   6.173%  kept
          HA    GLU-  25 - HN    SER   85  19.88 +/- 7.01  14.496% *  4.1279% (0.18   0.02   0.02) =   5.712%  kept
          HA    ALA   34 - HN    SER   85  24.47 +/- 4.31   5.118% *  8.8463% (0.38   0.02   0.02) =   4.322%  kept
    Distance limit 3.91 A violated in 20 structures by 8.37 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 = 13.5:
        T HN    SER   85 - HN    ASP-  86   2.46 +/- 0.11  98.696% * 99.7141% (0.99 10.00   3.33  13.45) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  22.38 +/- 5.39   0.201% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  21.26 +/- 6.69   0.309% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  12.70 +/- 1.13   0.794% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.936, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.68 +/- 0.07  95.324% * 74.1821% (0.95   3.71  22.69) =  98.459%  kept
          HE3   TRP   87 - HN    ASP-  86   7.52 +/- 0.31   4.420% * 25.0061% (0.31   3.83  22.69) =   1.539%  kept
          HN    GLN   17 - HN    ASP-  86  25.11 +/- 3.12   0.132% *  0.4217% (1.00   0.02   0.02) =   0.001%
          HD21  ASN   69 - HN    ASP-  86  25.64 +/- 3.00   0.124% *  0.3902% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 0.808, support = 4.1, residual support = 40.1:
      O   HA    ASP-  86 - HN    ASP-  86   2.74 +/- 0.03  60.647% * 79.7152% (0.87  10.0   4.16  42.53) =  91.474%  kept
      O   HA    SER   85 - HN    ASP-  86   3.54 +/- 0.01  28.155% * 14.1794% (0.15  10.0   3.26  13.45) =   7.554%  kept
          HA    TRP   87 - HN    ASP-  86   5.22 +/- 0.11   8.850% *  5.8022% (0.28   1.0   4.54  22.69) =   0.972%  kept
          HB    THR   77 - HN    ASP-  86  10.69 +/- 1.97   1.482% *  0.0142% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  20.22 +/- 3.81   0.194% *  0.0887% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.72 +/- 1.26   0.521% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.93 +/- 3.37   0.058% *  0.0848% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  32.03 +/- 4.71   0.047% *  0.0768% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  33.15 +/- 5.37   0.046% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.68 +/- 0.07  98.258% * 98.4399% (1.00   3.71  22.69) =  99.994%  kept
          HN    GLN   30 - HN    TRP   87  18.98 +/- 5.00   0.449% *  0.5305% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    TRP   87  19.48 +/- 5.45   0.438% *  0.3861% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    TRP   87  17.27 +/- 4.05   0.525% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  21.32 +/- 3.21   0.237% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  28.34 +/- 2.80   0.093% *  0.2798% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.811, support = 3.94, residual support = 64.3:
      O   HA    TRP   87 - HN    TRP   87   2.92 +/- 0.03  64.098% * 78.1363% (0.90  10.0   4.03  70.62) =  86.803%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.57 +/- 0.07  35.047% * 21.7248% (0.25  10.0   3.39  22.69) =  13.196%  kept
          HA    LEU  104 - HN    TRP   87  18.07 +/- 3.68   0.362% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  19.64 +/- 2.59   0.344% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.88 +/- 3.25   0.084% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  31.22 +/- 4.45   0.065% *  0.0194% (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 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.295, support = 1.88, residual support = 70.5:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  86.906% * 69.3645% (0.28  10.0   1.87  70.62) =  96.267%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.690% * 23.1714% (0.73   1.0   2.39  70.62) =   3.586%  kept
          HN    TRP   27 - HE1   TRP   87  14.35 +/- 5.46   1.274% *  6.8589% (0.90   1.0   0.57   5.61) =   0.140%  kept
          HN    ALA   91 - HE1   TRP   87  11.49 +/- 1.08   1.236% *  0.2648% (0.99   1.0   0.02   0.02) =   0.005%
          HN    ALA   61 - HE1   TRP   87  16.87 +/- 2.82   0.618% *  0.2579% (0.97   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HE1   TRP   87  20.67 +/- 4.88   0.276% *  0.0825% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.8, support = 2.0, residual support = 5.6:
          HZ2   TRP   27 - HE1   TRP   87  10.94 +/- 8.11  58.949% * 99.7535% (0.80   2.00   5.61) =  99.828%  kept
          HZ    PHE   72 - HE1   TRP   87  14.83 +/- 2.64  41.051% *  0.2465% (0.20   0.02   0.02) =   0.172%  kept
    Distance limit 4.29 A violated in 10 structures by 5.47 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.323, support = 2.79, residual support = 4.55:
      O   HA    TRP   87 - HN    ALA   88   3.26 +/- 0.10  31.979% * 88.6959% (0.28  10.0   2.97   4.93) =  92.271%  kept
          HA    ASP-  86 - HN    ALA   88   3.82 +/- 0.37  23.062% * 10.2027% (0.87   1.0   0.74   0.02) =   7.654%  kept
          HA    SER   85 - HN    ALA   88   3.08 +/- 0.54  42.716% *  0.0492% (0.15   1.0   0.02   0.02) =   0.068%
          HA    LEU  104 - HN    ALA   88  18.38 +/- 3.63   0.248% *  0.3079% (0.97   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ALA   88  11.02 +/- 2.43   1.223% *  0.0492% (0.15   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  12.60 +/- 1.44   0.653% *  0.0631% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  29.42 +/- 3.07   0.048% *  0.2945% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  32.76 +/- 4.23   0.036% *  0.2665% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  34.00 +/- 4.96   0.036% *  0.0710% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.601, support = 0.845, residual support = 16.7:
          HA    TRP   87 - HN    ILE   89   4.23 +/- 0.43  73.591% * 76.9686% (0.61   0.89  17.85) =  93.525%  kept
          HA    ASP-  86 - HN    ILE   89   6.33 +/- 0.42  23.091% * 16.7654% (0.53   0.22   0.02) =   6.392%  kept
          HA    LEU  104 - HN    ILE   89  17.41 +/- 3.01   1.332% *  2.7022% (0.95   0.02   0.02) =   0.059%
          HA    PHE   59 - HN    ILE   89  18.15 +/- 2.36   1.489% *  0.4408% (0.15   0.02   0.02) =   0.011%
          HA    GLU-  14 - HN    ILE   89  28.28 +/- 3.00   0.286% *  1.7326% (0.61   0.02   0.02) =   0.008%
          HA    ALA   12 - HN    ILE   89  31.85 +/- 3.98   0.210% *  1.3905% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.74, residual support = 32.3:
          HN    ALA   91 - HN    GLN   90   2.28 +/- 0.53  96.071% * 95.1381% (0.92   6.75  32.30) =  99.876%  kept
          HE3   TRP   87 - HN    GLN   90  10.01 +/- 0.92   2.550% *  4.3283% (0.97   0.29   0.02) =   0.121%  kept
          HN    ALA   61 - HN    GLN   90  16.48 +/- 2.29   1.063% *  0.2948% (0.97   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    GLN   90  20.33 +/- 3.77   0.202% *  0.1853% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  25.03 +/- 3.02   0.114% *  0.0535% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.388, support = 5.31, residual support = 84.2:
      O   HA    GLN   90 - HN    GLN   90   2.63 +/- 0.23  79.848% * 68.5445% (0.34  10.0   5.48  89.31) =  91.068%  kept
          HA    ALA   91 - HN    GLN   90   4.55 +/- 0.36  17.303% * 31.0017% (0.87   1.0   3.56  32.30) =   8.926%  kept
          HA    VAL  107 - HN    GLN   90  11.86 +/- 2.56   1.341% *  0.1939% (0.97   1.0   0.02   0.02) =   0.004%
          HA    ALA  110 - HN    GLN   90  12.96 +/- 2.44   0.990% *  0.0901% (0.45   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    GLN   90  19.60 +/- 3.65   0.248% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  18.70 +/- 2.83   0.270% *  0.0398% (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 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 89.3:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.951% * 99.0596% (0.92  10.0 10.00   1.00  89.31) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  30.50 +/- 5.41   0.025% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  29.78 +/- 4.76   0.023% *  0.0441% (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 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.3:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.726% * 99.4024% (0.76  10.0   1.00  89.31) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   7.92 +/- 1.17   1.367% *  0.0646% (0.25   1.0   0.02   3.15) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  15.04 +/- 4.49   0.402% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  23.28 +/- 4.85   0.161% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.72 +/- 4.32   0.078% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  30.53 +/- 4.43   0.022% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  24.09 +/- 4.81   0.053% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  17.87 +/- 2.15   0.106% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  30.50 +/- 5.41   0.025% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  30.04 +/- 4.01   0.026% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  32.01 +/- 3.25   0.018% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.59 +/- 3.29   0.018% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 32.3:
        T HN    GLN   90 - HN    ALA   91   2.28 +/- 0.53  93.333% * 99.6698% (0.95 10.00   6.75  32.30) =  99.997%  kept
          HN    GLY  109 - HN    ALA   91   9.02 +/- 3.41   3.334% *  0.0554% (0.53  1.00   0.02   0.02) =   0.002%
          HN    SER   82 - HN    ALA   91  12.49 +/- 1.70   1.451% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.73 +/- 2.63   0.232% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  20.33 +/- 3.77   0.196% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.79 +/- 4.75   0.459% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  17.49 +/- 7.44   0.877% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  24.15 +/- 3.64   0.116% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.462, support = 0.02, residual support = 8.24:
          HA    LEU   73 - HN    ALA   91  18.60 +/- 2.71  20.330% * 89.0027% (0.65   0.02   0.02) =  67.376%  kept
          HA    LEU   73 - HN    TRP   27   8.85 +/- 2.26  79.670% * 10.9973% (0.08   0.02  25.20) =  32.624%  kept
    Distance limit 4.48 A violated in 20 structures by 4.08 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.889, support = 2.8, residual support = 24.5:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  43.983% * 89.2967% (1.00  10.0   2.45  12.79) =  87.605%  kept
      O   HA    TRP   27 - HN    TRP   27   2.74 +/- 0.01  53.114% * 10.4606% (0.12  10.0   5.29 106.93) =  12.393%  kept
          HA    VAL  107 - HN    ALA   91  11.97 +/- 1.90   0.768% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   91  12.10 +/- 2.98   1.094% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  15.11 +/- 3.37   0.469% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  20.71 +/- 3.29   0.148% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.36 +/- 3.27   0.148% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  22.91 +/- 3.32   0.105% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.95 +/- 3.23   0.103% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  27.39 +/- 3.58   0.068% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 61.5:
      O   HA    MET   92 - HN    MET   92   2.40 +/- 0.21  97.340% * 99.1845% (0.25  10.0   4.21  61.49) =  99.996%  kept
          HA    PHE   45 - HN    MET   92   9.45 +/- 1.31   2.111% *  0.0992% (0.25   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    MET   92  22.65 +/- 3.51   0.251% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    MET   92  20.04 +/- 2.56   0.297% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 2.98, residual support = 9.24:
      O   HA    ALA   91 - HN    MET   92   2.29 +/- 0.10  95.488% * 99.6892% (0.80  10.0   2.98   9.24) =  99.997%  kept
          HA    PRO   52 - HN    MET   92  12.32 +/- 4.67   1.651% *  0.0855% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    MET   92  11.78 +/- 3.79   2.205% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  13.26 +/- 1.32   0.530% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  22.04 +/- 2.94   0.125% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.946, support = 3.3, residual support = 27.7:
        T HN    PHE   45 - HN    THR   94   3.20 +/- 0.58  95.552% * 99.5074% (0.95 10.00   3.30  27.70) =  99.977%  kept
          HN    ALA  110 - HN    THR   94  10.88 +/- 3.06   4.448% *  0.4926% (1.00  1.00   0.09   0.02) =   0.023%
    Distance limit 4.30 A violated in 0 structures by 0.00 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   9.11 +/- 0.54 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.40 A violated in 20 structures by 4.71 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.06, residual support = 15.4:
      O   HA    PRO   93 - HN    THR   94   2.24 +/- 0.12  97.489% * 99.9112% (0.22  10.0   4.06  15.45) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.63 +/- 2.86   2.511% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.33 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 = 0.947, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.09 +/- 0.46  79.324% * 54.6147% (1.00   0.02   0.02) =  88.362%  kept
          HA    LYS+  74 - HN    THR   94  11.32 +/- 2.56  15.165% * 33.1992% (0.61   0.02   0.02) =  10.269%  kept
          HA    HIS  122 - HN    THR   94  17.32 +/- 2.23   5.511% * 12.1862% (0.22   0.02   0.02) =   1.370%  kept
    Distance limit 3.81 A violated in 19 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.11, residual support = 46.2:
          HN    VAL  107 - HN    PHE   95   3.58 +/- 0.59  96.684% * 99.1025% (0.97   2.11  46.22) =  99.969%  kept
          HN    GLY   51 - HN    PHE   95  14.62 +/- 2.06   3.316% *  0.8975% (0.92   0.02   0.02) =   0.031%
    Distance limit 4.02 A violated in 0 structures by 0.10 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.85, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   3.27 +/- 0.72  92.351% * 99.3364% (0.87   3.85  73.42) =  99.975%  kept
          HN    ALA   47 - HN    PHE   95  10.64 +/- 1.46   3.124% *  0.5154% (0.87   0.02   0.27) =   0.018%
          QE    PHE   72 - HN    PHE   95  10.38 +/- 1.76   4.525% *  0.1482% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.32, residual support = 73.4:
      O   HA    PHE   95 - HN    PHE   95   2.92 +/- 0.02 100.000% *100.0000% (1.00  10.0   4.32  73.42) = 100.000%  kept
    Distance limit 4.34 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 = 14.5:
      O   HA    THR   94 - HN    PHE   95   2.26 +/- 0.13  97.748% * 99.8515% (0.65  10.0   3.16  14.50) =  99.999%  kept
          HA    LYS+  74 - HN    PHE   95  12.74 +/- 2.19   0.743% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.22 +/- 0.30   1.509% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 3.99, residual support = 11.9:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.02 100.000% *100.0000% (0.95  10.0   3.99  11.92) = 100.000%  kept
    Distance limit 3.17 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 = 115.4:
      O   HA    MET   96 - HN    MET   96   2.90 +/- 0.02  95.772% * 99.9800% (0.94  10.0   4.09 115.41) =  99.999%  kept
          HA    PHE   72 - HN    MET   96  10.51 +/- 2.95   4.228% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 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 = 4.89, residual support = 59.8:
        T HN    ASP- 105 - HN    PHE   97   3.57 +/- 0.71  95.865% * 99.9802% (1.00 10.00   4.89  59.85) =  99.999%  kept
          HN    ALA   88 - HN    PHE   97  13.37 +/- 3.16   4.135% *  0.0198% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.10 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 4.07, residual support = 62.3:
          QD    PHE   97 - HN    PHE   97   2.52 +/- 0.72  92.102% * 98.9859% (0.80   4.07  62.30) =  99.955%  kept
          HZ3   TRP   87 - HN    PHE   97  10.16 +/- 4.00   7.459% *  0.5273% (0.87   0.02   0.02) =   0.043%
          HE3   TRP   49 - HN    PHE   97  21.09 +/- 3.57   0.439% *  0.4868% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.03, residual support = 11.5:
          HA    LYS+ 106 - HN    PHE   97   3.53 +/- 0.53 100.000% *100.0000% (0.98   3.03  11.54) = 100.000%  kept
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.2:
      O   HA    MET   96 - HN    PHE   97   2.29 +/- 0.10  98.907% * 99.9800% (0.99  10.0   6.07  44.24) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  12.10 +/- 2.89   1.093% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 5.29, residual support = 22.0:
        T HN    VAL   41 - HN    LEU   98   5.39 +/- 3.66 100.000% *100.0000% (0.69 10.00   5.29  22.02) = 100.000%  kept
    Distance limit 4.01 A violated in 3 structures by 1.56 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.03, residual support = 77.1:
      O   HA    LEU   98 - HN    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.03  77.08) = 100.000%  kept
    Distance limit 4.23 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 = 3.36, residual support = 10.7:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.02 100.000% *100.0000% (0.98  10.0   3.36  10.67) = 100.000%  kept
    Distance limit 3.17 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 = 0.487, support = 1.37, residual support = 4.31:
          HA    VAL   42 - HN    LEU   98   4.27 +/- 2.88  58.927% * 24.7543% (0.45   0.85   0.42) =  53.893%  kept
          HA    LEU   40 - HN    LEU   98   7.16 +/- 3.81  17.772% * 68.6966% (0.53   2.02   9.06) =  45.107%  kept
          HA    THR   46 - HN    LEU   98  15.61 +/- 1.04  12.079% *  1.2827% (0.99   0.02   0.02) =   0.572%  kept
          HA    PRO   58 - HN    LEU   98  17.33 +/- 2.53   4.586% *  0.8890% (0.69   0.02   0.02) =   0.151%  kept
          HA    GLN   17 - HN    LEU   98  15.75 +/- 3.97   2.343% *  1.2489% (0.97   0.02   0.02) =   0.108%  kept
          HA    SER   37 - HN    LEU   98  15.59 +/- 3.69   1.719% *  1.2489% (0.97   0.02   0.02) =   0.079%
          HA    GLU-  15 - HN    LEU   98  17.09 +/- 3.79   1.738% *  0.9397% (0.73   0.02   0.02) =   0.060%
          HA    SER   13 - HN    LEU   98  22.10 +/- 3.87   0.836% *  0.9397% (0.73   0.02   0.02) =   0.029%
    Distance limit 4.48 A violated in 2 structures by 0.52 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.845, support = 1.1, residual support = 1.37:
          HN    LYS+ 102 - HN    LYS+  99   3.55 +/- 0.61  66.926% * 57.6426% (0.95   0.82   1.51) =  86.900%  kept
          HN    ASP- 105 - HN    LYS+  99   6.34 +/- 0.55  14.474% * 39.7218% (0.18   3.04   0.43) =  12.951%  kept
          HN    THR   39 - HN    LYS+  99  11.59 +/- 4.91   5.510% *  0.5604% (0.38   0.02   0.02) =   0.070%
          HN    GLU-  36 - HN    LYS+  99  14.79 +/- 4.74   1.916% *  1.1957% (0.80   0.02   0.02) =   0.052%
          HD1   TRP   87 - HN    LYS+  99  16.72 +/- 4.03   1.065% *  0.6139% (0.41   0.02   0.02) =   0.015%
          HN    GLU-  36 - HN    GLN   30   9.76 +/- 0.65   3.769% *  0.0786% (0.05   0.02   0.02) =   0.007%
          HN    LYS+ 102 - HN    GLN   30  16.90 +/- 4.56   1.333% *  0.0928% (0.06   0.02   0.02) =   0.003%
          HN    THR   39 - HN    GLN   30  11.40 +/- 1.22   2.511% *  0.0368% (0.02   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  17.65 +/- 5.19   1.285% *  0.0403% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  18.14 +/- 3.56   1.209% *  0.0172% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.25 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.34, residual support = 18.3:
      O   HA    LEU   98 - HN    LYS+  99   2.31 +/- 0.10  99.319% * 99.9934% (0.99  10.0   4.34  18.27) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.38 +/- 3.61   0.681% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.23, residual support = 174.6:
      O   HA    LYS+  99 - HN    LYS+  99   2.90 +/- 0.03  89.896% * 99.5300% (0.80  10.0   5.23 174.58) =  99.996%  kept
          HA    ASN   35 - HN    LYS+  99  12.88 +/- 5.37   2.653% *  0.0804% (0.65   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    LYS+  99  18.54 +/- 3.38   0.545% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  20.22 +/- 6.30   0.523% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.13 +/- 2.19   0.240% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  15.77 +/- 4.33   0.957% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  23.12 +/- 3.14   0.223% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.17 +/- 3.56   1.706% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.68 +/- 0.57   1.854% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.78 +/- 2.44   0.337% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  27.96 +/- 3.50   0.127% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.90 +/- 4.06   0.250% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.92 +/- 3.02   0.179% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  18.80 +/- 4.43   0.510% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.997, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.60 +/- 0.57  73.885% * 99.8945% (1.00 10.00   3.61  14.93) =  99.963%  kept
          HN    LEU   40 - HN    GLU- 100   8.15 +/- 5.69  26.115% *  0.1055% (0.14  1.00   0.16   0.02) =   0.037%
    Distance limit 4.04 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 = 0.99, support = 6.82, residual support = 39.1:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.05  72.371% * 99.2073% (0.99  10.0   6.83  39.15) =  99.861%  kept
          HA    LEU   40 - HN    GLU- 100   6.46 +/- 5.69  23.380% *  0.4097% (0.20   1.0   0.41   0.02) =   0.133%  kept
          HA    ASN   35 - HN    GLU- 100  10.20 +/- 5.94   3.859% *  0.0924% (0.92   1.0   0.02   0.02) =   0.005%
          HA    LEU  123 - HN    GLU- 100  21.61 +/- 6.65   0.143% *  0.0801% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  25.07 +/- 3.06   0.060% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.08 +/- 2.24   0.055% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.26 +/- 3.24   0.132% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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   2.72 +/- 0.92  88.573% * 98.8238% (0.95   3.13  12.51) =  99.964%  kept
          HN    GLU-  36 - HN    GLY  101  13.76 +/- 5.48   2.604% *  0.5344% (0.80   0.02   0.02) =   0.016%
          HN    THR   39 - HN    GLY  101  11.25 +/- 5.30   5.024% *  0.2505% (0.38   0.02   0.02) =   0.014%
          HN    ASP- 105 - HN    GLY  101   9.73 +/- 0.77   3.238% *  0.1169% (0.18   0.02   0.02) =   0.004%
          HD1   TRP   87 - HN    GLY  101  19.10 +/- 4.97   0.561% *  0.2744% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.21 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 = 0.979, support = 0.815, residual support = 1.51:
          HN    LYS+  99 - HN    LYS+ 102   3.55 +/- 0.61  90.491% * 94.3780% (0.98   0.82   1.51) =  99.875%  kept
          HE1   HIS  122 - HN    LYS+ 102  17.86 +/- 7.50   3.003% *  2.2319% (0.95   0.02   0.02) =   0.078%
          HN    GLU-  14 - HN    LYS+ 102  23.42 +/- 5.13   0.721% *  1.9708% (0.84   0.02   0.02) =   0.017%
          HN    ASN   35 - HN    LYS+ 102  14.25 +/- 5.54   3.199% *  0.3641% (0.15   0.02   0.02) =   0.014%
          HN    GLN   30 - HN    LYS+ 102  16.90 +/- 4.56   1.808% *  0.5883% (0.25   0.02   0.02) =   0.012%
          HN    ASP-  86 - HN    LYS+ 102  20.50 +/- 5.07   0.777% *  0.4669% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.67 A violated in 0 structures by 0.19 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   2.72 +/- 0.92  97.490% * 99.9864% (1.00 10.00   3.13  12.51) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  12.18 +/- 4.73   2.510% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 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   3.60 +/- 0.57 100.000% *100.0000% (0.80 10.00   3.61  14.93) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 1.41, residual support = 1.36:
          HA    LYS+  99 - HN    GLY  101   4.43 +/- 0.62  61.638% * 89.9445% (0.99   1.43   1.39) =  97.951%  kept
          HA    LEU   40 - HN    GLY  101   9.13 +/- 4.82  17.823% *  5.1976% (0.20   0.41   0.02) =   1.637%  kept
          HA    ASN   35 - HN    GLY  101  11.70 +/- 6.29  18.093% *  1.1720% (0.92   0.02   0.02) =   0.375%  kept
          HA    LEU  123 - HN    GLY  101  22.71 +/- 6.32   0.932% *  1.0166% (0.80   0.02   0.02) =   0.017%
          HA    ILE   56 - HN    GLY  101  26.32 +/- 3.08   0.376% *  1.1387% (0.90   0.02   0.02) =   0.008%
          HA    ASP- 113 - HN    GLY  101  25.55 +/- 2.14   0.376% *  1.1387% (0.90   0.02   0.02) =   0.008%
          HA    PHE   59 - HN    GLY  101  21.67 +/- 3.09   0.762% *  0.3919% (0.31   0.02   0.02) =   0.005%
    Distance limit 4.79 A violated in 0 structures by 0.02 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   2.70 +/- 0.17  94.863% * 99.5220% (1.00  10.0   2.86  15.43) =  99.996%  kept
          HA    ALA   34 - HN    GLY  101  12.15 +/- 4.86   2.341% *  0.0963% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    GLY  101  15.26 +/- 4.58   1.407% *  0.0833% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLY  101  19.24 +/- 4.81   0.555% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  20.64 +/- 1.83   0.230% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  22.99 +/- 1.76   0.166% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  23.49 +/- 7.44   0.320% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.86 +/- 3.69   0.119% *  0.0308% (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 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.55, residual support = 38.6:
          HN    LEU  104 - HN    ILE  103   4.56 +/- 0.23  97.436% * 99.3892% (0.49   6.55  38.63) =  99.984%  kept
          HN    PHE   72 - HN    ILE  103  16.30 +/- 2.39   2.564% *  0.6108% (0.98   0.02   0.02) =   0.016%
    Distance limit 4.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 23.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.34 +/- 0.12  95.042% * 99.7796% (0.97  10.0   5.99  23.36) =  99.997%  kept
          HA    CYS   21 - HN    ILE  103  19.72 +/- 5.01   3.941% *  0.0710% (0.69   1.0   0.02   0.02) =   0.003%
          HA    ALA   20 - HN    ILE  103  19.87 +/- 3.59   0.491% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  27.03 +/- 4.46   0.165% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.88 +/- 0.82   0.188% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.45 +/- 3.63   0.173% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 7.01, residual support = 138.8:
      O   HA    ILE  103 - HN    ILE  103   2.72 +/- 0.18  94.528% * 99.2916% (0.98  10.0   7.01 138.84) =  99.996%  kept
          HB    THR   77 - HN    ILE  103  19.70 +/- 4.31   1.119% *  0.0935% (0.92   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ILE  103  14.63 +/- 4.13   1.116% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ILE  103  14.27 +/- 1.48   0.701% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ILE  103  21.95 +/- 4.73   0.548% *  0.0908% (0.90   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  18.46 +/- 4.73   0.453% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  17.19 +/- 5.61   0.738% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.59 +/- 3.38   0.144% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.41 +/- 3.41   0.224% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  29.91 +/- 4.61   0.091% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.07 +/- 4.72   0.226% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  28.52 +/- 4.70   0.113% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 7.0, residual support = 35.4:
        T HN    ASP- 105 - HN    LEU  104   2.18 +/- 0.51  99.649% * 99.9802% (1.00 10.00   7.00  35.36) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  16.32 +/- 3.74   0.351% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.76, residual support = 10.6:
          HA    LEU   98 - HN    LEU  104   2.99 +/- 0.68 100.000% *100.0000% (0.80   3.76  10.64) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.58, residual support = 38.6:
      O   HA    ILE  103 - HN    LEU  104   2.37 +/- 0.21  95.909% * 99.2645% (0.95  10.0   6.58  38.63) =  99.997%  kept
          HA    ASP-  44 - HN    LEU  104  11.91 +/- 1.45   1.094% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    LEU  104  18.51 +/- 3.38   0.450% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  13.36 +/- 4.00   0.806% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.43 +/- 4.02   0.350% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  17.92 +/- 4.17   0.350% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  21.40 +/- 3.37   0.236% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.66 +/- 4.84   0.237% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.21 +/- 4.53   0.076% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.57 +/- 4.46   0.102% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.30 +/- 2.96   0.276% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.19 +/- 2.90   0.114% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.89, residual support = 59.8:
        T HN    PHE   97 - HN    ASP- 105   3.57 +/- 0.71  95.691% * 99.7623% (0.73 10.00   4.89  59.85) =  99.996%  kept
          HN    LEU  115 - HN    ASP- 105  13.42 +/- 1.32   2.555% *  0.0998% (0.73  1.00   0.02   0.02) =   0.003%
          HN    ASN   35 - HN    ASP- 105  17.51 +/- 3.33   1.472% *  0.0382% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    ASP- 105  28.72 +/- 4.14   0.282% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.16 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.0, residual support = 35.4:
        T HN    LEU  104 - HN    ASP- 105   2.18 +/- 0.51  99.226% * 99.9822% (0.87 10.00   7.00  35.36) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  14.26 +/- 2.76   0.774% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.17, residual support = 134.9:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.89 +/- 0.04 100.000% *100.0000% (0.95  10.0   5.17 134.86) = 100.000%  kept
    Distance limit 3.90 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 = 23.5:
      O   HA    ASP- 105 - HN    LYS+ 106   2.45 +/- 0.09  99.161% * 99.6913% (0.92  10.0   3.49  23.52) =  99.999%  kept
          HB    THR   23 - HN    LYS+ 106  24.30 +/- 4.00   0.216% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    LYS+ 106  21.34 +/- 2.94   0.182% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.19 +/- 4.14   0.234% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  20.90 +/- 2.80   0.207% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.34, residual support = 41.7:
      O   HA    ASP- 105 - HN    ASP- 105   2.86 +/- 0.04  98.464% * 99.6913% (0.92  10.0   4.34  41.70) =  99.999%  kept
          HB    THR   23 - HN    ASP- 105  22.54 +/- 4.08   0.361% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ASP- 105  21.23 +/- 3.29   0.328% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  21.60 +/- 4.29   0.435% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  21.22 +/- 3.08   0.412% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.387, support = 5.76, residual support = 30.5:
      O   HA    LEU  104 - HN    ASP- 105   3.53 +/- 0.16  57.084% * 77.1335% (0.34  10.0   6.27  35.36) =  84.868%  kept
          HA    ILE  103 - HN    ASP- 105   4.23 +/- 0.56  36.551% * 21.4536% (0.65   1.0   2.93   3.53) =  15.114%  kept
          HA    ASP-  44 - HN    ASP- 105  11.19 +/- 1.40   2.027% *  0.1889% (0.84   1.0   0.02   0.02) =   0.007%
          HB    THR   77 - HN    ASP- 105  17.89 +/- 3.15   0.817% *  0.1728% (0.76   1.0   0.02   0.02) =   0.003%
          HA    SER   85 - HN    ASP- 105  18.07 +/- 3.65   0.639% *  0.1728% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP- 105  17.97 +/- 3.58   0.555% *  0.1811% (0.80   1.0   0.02   0.02) =   0.002%
          HA    THR   39 - HN    ASP- 105  14.31 +/- 3.73   1.120% *  0.0503% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  24.33 +/- 4.53   0.340% *  0.1642% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  28.38 +/- 4.10   0.150% *  0.1889% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  30.13 +/- 4.23   0.117% *  0.1961% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  21.25 +/- 3.14   0.355% *  0.0629% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  23.86 +/- 3.04   0.246% *  0.0349% (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 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 5.41:
          QD    PHE   97 - HN    VAL  107   4.60 +/- 0.73  84.204% * 99.0099% (0.87   2.25   5.41) =  99.884%  kept
          HZ3   TRP   87 - HN    VAL  107  12.24 +/- 3.13  10.771% *  0.8124% (0.80   0.02   0.02) =   0.105%  kept
          HE3   TRP   49 - HN    VAL  107  18.30 +/- 3.31   5.025% *  0.1777% (0.18   0.02   0.02) =   0.011%
    Distance limit 4.52 A violated in 0 structures by 0.36 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.6:
      O   HA    LYS+ 106 - HN    VAL  107   2.27 +/- 0.09 100.000% *100.0000% (0.98  10.0   4.58  26.64) = 100.000%  kept
    Distance limit 3.18 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 = 3.65, residual support = 60.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.01  94.985% * 99.7406% (0.95  10.0   3.66  60.19) =  99.997%  kept
          HA    ALA   91 - HN    VAL  107  12.77 +/- 1.43   1.278% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  18.48 +/- 2.76   0.495% *  0.0997% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107  10.42 +/- 1.01   2.434% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  16.60 +/- 2.97   0.807% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 5.84, residual support = 59.8:
          QD    PHE   97 - HN    ASP- 105   3.63 +/- 0.65  92.272% * 99.6165% (0.87   5.84  59.85) =  99.978%  kept
          HZ3   TRP   87 - HN    ASP- 105  12.39 +/- 4.42   5.982% *  0.3147% (0.80   0.02   0.02) =   0.020%
          HE3   TRP   49 - HN    ASP- 105  23.43 +/- 4.20   1.746% *  0.0688% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.68 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 = 0.664, support = 0.5, residual support = 0.11:
          HA    LYS+  74 - HN    GLY  109  18.38 +/- 2.86   5.967% * 97.3611% (0.74   0.59   0.13) =  83.562%  kept
          HA    THR   94 - HN    GLY  109   6.35 +/- 2.25  74.312% *  1.1402% (0.26   0.02   0.02) =  12.187%  kept
          HA    MET   92 - HN    GLY  109  10.04 +/- 3.14  19.721% *  1.4986% (0.34   0.02   0.02) =   4.251%  kept
    Distance limit 4.46 A violated in 10 structures by 1.96 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 2.14, residual support = 8.52:
      O   HA1   GLY  109 - HN    GLY  109   2.52 +/- 0.24  41.164% * 65.2934% (0.73  10.0   1.76   9.40) =  57.844%  kept
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.05  56.869% * 34.4422% (0.34  10.0   2.66   7.30) =  42.153%  kept
          HA    CYS   50 - HN    GLY  109  14.64 +/- 3.79   1.179% *  0.0753% (0.74   1.0   0.02   0.02) =   0.002%
          HA    TRP   49 - HN    GLY  109  17.83 +/- 3.75   0.258% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  13.71 +/- 2.56   0.363% *  0.0435% (0.43   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  23.24 +/- 4.27   0.075% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.25 +/- 0.79   0.091% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 3.02, residual support = 9.04:
          HN    LYS+ 111 - HN    ALA  110   3.56 +/- 0.84  88.373% * 87.1464% (0.90   3.04   9.12) =  99.136%  kept
          HN    ILE   56 - HN    ALA  110  13.98 +/- 4.35   5.897% * 11.0707% (0.98   0.35   0.33) =   0.840%  kept
          HN    ALA   84 - HN    ALA  110  18.49 +/- 2.97   1.219% *  0.5730% (0.90   0.02   0.02) =   0.009%
          HN    LEU   63 - HN    ALA  110  17.61 +/- 2.69   1.163% *  0.5898% (0.92   0.02   0.02) =   0.009%
          HZ2   TRP   87 - HN    ALA  110  19.80 +/- 3.95   2.722% *  0.1119% (0.18   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA  110  26.23 +/- 3.97   0.447% *  0.1972% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  32.72 +/- 3.36   0.178% *  0.3110% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.61 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 = 0.689, support = 2.04, residual support = 6.29:
      O   HA1   GLY  109 - HN    ALA  110   3.07 +/- 0.50  71.072% * 93.8843% (0.69  10.0   2.07   6.43) =  97.759%  kept
          HA    VAL  108 - HN    ALA  110   5.45 +/- 1.02  26.441% *  5.7754% (0.80   1.0   1.06   0.02) =   2.237%  kept
          HA    ALA   47 - HN    ALA  110  15.73 +/- 2.67   0.856% *  0.1226% (0.90   1.0   0.02   0.02) =   0.002%
          HA    CYS   50 - HN    ALA  110  15.70 +/- 3.66   0.839% *  0.0992% (0.73   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    ALA  110  19.09 +/- 3.56   0.386% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  25.65 +/- 4.81   0.407% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 2.73, residual support = 9.56:
      O   HA    ALA  110 - HN    ALA  110   2.62 +/- 0.29  89.212% * 92.8899% (0.18  10.0   2.74   9.58) =  99.761%  kept
          HA    PRO   52 - HN    ALA  110  14.13 +/- 5.43   2.828% *  5.5774% (0.34   1.0   0.62   0.02) =   0.190%  kept
          HA    VAL  107 - HN    ALA  110   7.48 +/- 1.20   5.916% *  0.5017% (0.95   1.0   0.02   0.02) =   0.036%
          HA    ALA   91 - HN    ALA  110  11.71 +/- 3.25   1.915% *  0.5292% (1.00   1.0   0.02   0.02) =   0.012%
          HA    TRP   27 - HN    ALA  110  25.47 +/- 3.46   0.129% *  0.5017% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.83 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 = 28.7:
        T HN    LYS+ 112 - HN    LYS+ 111   4.39 +/- 0.17  94.266% * 99.8172% (0.99 10.00   5.34  28.73) =  99.998%  kept
          HN    LYS+  74 - HN    LYS+ 111  22.45 +/- 3.29   1.025% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  15.72 +/- 1.91   2.392% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  19.53 +/- 3.21   2.169% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  40.39 +/- 4.77   0.148% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.24 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   3.56 +/- 0.84  97.842% * 99.9053% (1.00 10.00   3.04   9.12) =  99.998%  kept
          HN    PHE   45 - HN    LYS+ 111  13.85 +/- 1.92   2.158% *  0.0947% (0.95  1.00   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.745, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.93 +/- 1.65  35.183% * 58.2608% (1.00   0.02   0.02) =  60.641%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.95 +/- 1.34  43.601% * 19.8732% (0.34   0.02   0.02) =  25.635%  kept
          HD2   HIS  122 - HN    LYS+ 111  15.22 +/- 1.23  21.216% * 21.8659% (0.38   0.02   0.02) =  13.724%  kept
    Distance limit 4.53 A violated in 20 structures by 5.97 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 = 9.11:
      O   HA    ALA  110 - HN    LYS+ 111   3.04 +/- 0.39  82.999% * 99.3312% (0.45  10.0   3.04   9.12) =  99.963%  kept
          HA    VAL  107 - HN    LYS+ 111   7.98 +/- 2.08  11.488% *  0.2138% (0.97   1.0   0.02   0.02) =   0.030%
          HA    ALA   91 - HN    LYS+ 111  12.87 +/- 2.81   2.030% *  0.1922% (0.87   1.0   0.02   0.02) =   0.005%
          HA    GLN   90 - HN    LYS+ 111  14.88 +/- 2.73   1.856% *  0.0756% (0.34   1.0   0.02   0.02) =   0.002%
          HA    PHE   55 - HN    LYS+ 111  14.09 +/- 4.28   1.465% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  25.88 +/- 2.87   0.163% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.19 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.7:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.53 +/- 0.23  96.572% * 99.8075% (0.53  10.0   7.09  28.73) =  99.996%  kept
          HA    VAL  108 - HN    LYS+ 112   9.31 +/- 1.13   2.757% *  0.1074% (0.57   1.0   0.02   0.02) =   0.003%
          HA    ALA   47 - HN    LYS+ 112  15.04 +/- 2.50   0.671% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 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 = 5.08, residual support = 24.9:
        T HN    GLU- 114 - HN    ASP- 113   2.73 +/- 0.15  82.124% * 94.3065% (0.81 10.00   5.12  25.15) =  99.020%  kept
          HN    GLN  116 - HN    ASP- 113   5.10 +/- 0.47  13.827% *  5.5275% (0.76  1.00   1.24   1.91) =   0.977%  kept
          HN    THR  118 - HN    ASP- 113   8.39 +/- 0.56   2.949% *  0.0645% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  12.95 +/- 1.58   0.888% *  0.0410% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.69 +/- 3.43   0.212% *  0.0605% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 5.12, residual support = 25.2:
        T HN    ASP- 113 - HN    GLU- 114   2.73 +/- 0.15 100.000% *100.0000% (1.00 10.00   5.12  25.15) = 100.000%  kept
    Distance limit 3.11 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 = 0.956, support = 3.91, residual support = 43.6:
      O   HA    GLU- 114 - HN    GLU- 114   2.81 +/- 0.05  83.628% * 88.8439% (0.97  10.0   3.90  44.10) =  97.942%  kept
          HA    LEU  115 - HN    GLU- 114   5.08 +/- 0.14  14.379% * 10.8527% (0.53   1.0   4.48  21.21) =   2.057%  kept
          HA    CYS   53 - HN    GLU- 114  12.14 +/- 2.38   1.512% *  0.0284% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLU- 114  29.18 +/- 3.90   0.125% *  0.0871% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  25.07 +/- 1.43   0.122% *  0.0799% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.45 +/- 2.77   0.115% *  0.0632% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.60 +/- 2.80   0.119% *  0.0448% (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 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 3.7:
          HA    LYS+ 111 - HN    ASP- 113   4.03 +/- 0.30  79.053% * 99.1975% (0.74   2.18   3.70) =  99.924%  kept
          HA    VAL  108 - HN    ASP- 113   9.90 +/- 1.85  13.485% *  0.2614% (0.21   0.02   0.02) =   0.045%
          HA    PRO   52 - HN    ASP- 113  12.46 +/- 4.03   6.007% *  0.3575% (0.29   0.02   0.02) =   0.027%
          HA    ALA   47 - HN    ASP- 113  16.67 +/- 2.16   1.455% *  0.1836% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.34 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 = 3.47, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.71 +/- 0.06  95.701% * 99.6702% (0.85  10.0   3.47  14.41) =  99.997%  kept
          HA    ILE   56 - HN    ASP- 113  11.12 +/- 2.49   2.037% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ASP- 113  12.15 +/- 1.12   1.193% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  17.33 +/- 0.95   0.379% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.33 +/- 2.33   0.177% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  19.56 +/- 3.61   0.433% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.98 +/- 2.92   0.081% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.931, support = 8.04, residual support = 85.6:
        T HN    GLN  116 - HN    LEU  115   2.76 +/- 0.14  40.818% * 83.7262% (0.99 10.00   8.67  99.60) =  82.173%  kept
          HN    GLU- 114 - HN    LEU  115   2.56 +/- 0.15  50.986% * 14.2760% (0.65  1.00   5.22  21.21) =  17.502%  kept
          HN    THR  118 - HN    LEU  115   5.06 +/- 0.41   7.105% *  1.8967% (0.95  1.00   0.47   0.02) =   0.324%  kept
          HN    PHE   60 - HN    LEU  115  10.49 +/- 1.35   0.868% *  0.0646% (0.76  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    LEU  115  19.54 +/- 3.29   0.180% *  0.0235% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  28.17 +/- 2.89   0.044% *  0.0130% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 8.67, residual support = 99.6:
        T HN    LEU  115 - HN    GLN  116   2.76 +/- 0.14  98.966% * 99.8619% (0.98 10.00   8.67  99.60) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  13.52 +/- 1.49   0.973% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  33.83 +/- 3.47   0.061% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 5.58, residual support = 28.3:
        T HN    SER  117 - HN    GLN  116   2.69 +/- 0.17  98.253% * 99.8966% (0.97 10.00   5.58  28.31) = 100.000%  kept
          HN    SER   82 - HN    GLN  116  23.10 +/- 4.75   1.580% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    GLN  116  24.56 +/- 3.09   0.167% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.969, support = 4.21, residual support = 17.2:
        T HN    GLN  116 - HN    SER  117   2.69 +/- 0.17  46.277% * 50.0707% (0.99 10.00   5.58  28.31) =  52.277%  kept
        T HN    THR  118 - HN    SER  117   2.74 +/- 0.17  43.942% * 47.7878% (0.95 10.00   2.71   4.99) =  47.376%  kept
          HN    GLU- 114 - HN    SER  117   4.77 +/- 0.35   8.686% *  1.7336% (0.65  1.00   1.06   0.98) =   0.340%  kept
        T HN    PHE   60 - HN    SER  117  10.91 +/- 1.44   0.800% *  0.3861% (0.76 10.00   0.02   0.02) =   0.007%
          HN    LEU   71 - HN    SER  117  19.18 +/- 3.70   0.247% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  27.74 +/- 2.95   0.049% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 2.0, residual support = 111.9:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.834% * 99.8133% (0.95  10.0   2.00 111.91) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.06 +/- 1.51   0.899% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  14.83 +/- 2.26   0.225% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  24.74 +/- 3.32   0.042% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 2.0, residual support = 111.9:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  91.932% * 99.7477% (0.90  10.0 10.00   2.00 111.91) =  99.992%  kept
          HN    ALA  120 - HE22  GLN  116   5.92 +/- 1.53   3.897% *  0.1090% (0.98   1.0  1.00   0.02   0.19) =   0.005%
          HN    ALA   57 - HE22  GLN  116  10.21 +/- 3.00   3.552% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HE21  GLN   90 - HE22  GLN  116  22.77 +/- 5.19   0.268% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  11.85 +/- 1.66   0.350% *  0.0195% (0.18   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 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.2, residual support = 1.9:
          HA    ASP- 113 - HN    GLN  116   3.88 +/- 0.32  75.815% * 94.8028% (1.00   1.21   1.91) =  99.690%  kept
          HA    PHE   59 - HN    GLN  116   8.12 +/- 0.97  10.578% *  0.9547% (0.61   0.02   0.49) =   0.140%  kept
          HA    ILE   56 - HN    GLN  116   8.82 +/- 1.98   9.830% *  0.9547% (0.61   0.02   0.02) =   0.130%  kept
          HA    LEU  123 - HN    GLN  116  12.96 +/- 0.55   2.161% *  0.7662% (0.49   0.02   0.02) =   0.023%
          HA    LYS+  99 - HN    GLN  116  20.30 +/- 1.66   0.586% *  1.2604% (0.80   0.02   0.02) =   0.010%
          HA    ASN   35 - HN    GLN  116  26.51 +/- 2.36   0.260% *  1.0183% (0.65   0.02   0.02) =   0.004%
          HA    TRP   87 - HN    GLN  116  18.87 +/- 2.31   0.771% *  0.2429% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.87, residual support = 111.9:
      O   HA    GLN  116 - HN    GLN  116   2.75 +/- 0.06  97.289% * 99.5202% (1.00  10.0   6.87 111.91) =  99.998%  kept
          HB2   SER   82 - HN    GLN  116  24.64 +/- 4.75   0.861% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN  116  18.25 +/- 2.94   0.465% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  20.19 +/- 2.88   0.331% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  18.48 +/- 2.71   0.466% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  27.89 +/- 3.24   0.116% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  25.02 +/- 3.49   0.171% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  27.87 +/- 3.02   0.113% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  23.78 +/- 3.39   0.189% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.915, support = 7.1, residual support = 176.7:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.05  66.314% * 60.5049% (1.00  10.0   7.79 224.47) =  76.482%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.57 +/- 0.06  31.450% * 39.2280% (0.65  10.0   4.86  21.21) =  23.517%  kept
          HA    ARG+  54 - HN    LEU  115  13.25 +/- 1.39   0.687% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HN    LEU  115  19.74 +/- 4.21   0.822% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  18.06 +/- 0.75   0.246% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.66 +/- 2.69   0.124% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.47 +/- 2.66   0.114% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.61 +/- 1.48   0.114% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.18 +/- 3.67   0.129% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 3.65, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.74 +/- 0.05  98.013% * 99.4282% (0.38  10.0   3.65  15.40) =  99.996%  kept
          HA    ASP-  62 - HN    SER  117  13.50 +/- 1.27   0.972% *  0.2506% (0.95   1.0   0.02   0.02) =   0.003%
          HB    THR   26 - HN    SER  117  26.46 +/- 4.77   0.376% *  0.2025% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    SER  117  24.48 +/- 4.57   0.638% *  0.1188% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 5.82, residual support = 52.6:
        T HN    ILE  119 - HN    ALA  120   2.64 +/- 0.14  98.839% * 99.2864% (0.83 10.00   5.82  52.60) =  99.996%  kept
        T HN    CYS   21 - HN    ALA  120  21.84 +/- 4.57   0.729% *  0.4963% (0.41 10.00   0.02   0.02) =   0.004%
          HN    ILE   89 - HN    ALA  120  20.34 +/- 2.46   0.248% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  23.99 +/- 3.75   0.184% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 6.82, residual support = 55.3:
          HN    HIS  122 - HN    LYS+ 121   2.73 +/- 0.02  88.005% * 99.4610% (0.80   6.82  55.33) =  99.987%  kept
          QE    PHE   59 - HN    LYS+ 121   5.93 +/- 0.72  10.091% *  0.0728% (0.20   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+ 121  10.95 +/- 1.30   1.639% *  0.1770% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  20.79 +/- 3.90   0.265% *  0.2892% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.27 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 = 0.256, support = 5.73, residual support = 31.5:
          HN    LEU  123 - HN    HIS  122   2.12 +/- 0.09  96.355% * 90.5469% (0.26   5.74  31.61) =  99.650%  kept
          HN    ALA  124 - HN    HIS  122   6.52 +/- 0.12   3.340% *  9.1710% (0.09   1.69   0.02) =   0.350%  kept
          HZ2   TRP   49 - HN    HIS  122  21.49 +/- 3.62   0.174% *  0.1340% (0.11   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  21.27 +/- 4.53   0.132% *  0.1481% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 5.74, residual support = 31.6:
          HN    HIS  122 - HN    LEU  123   2.12 +/- 0.09  97.044% * 99.1151% (0.87   5.74  31.61) =  99.992%  kept
          QE    PHE   59 - HN    LEU  123   8.07 +/- 0.90   2.069% *  0.2094% (0.53   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LEU  123  11.83 +/- 1.82   0.775% *  0.3569% (0.90   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LEU  123  22.66 +/- 4.26   0.112% *  0.3187% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 4.12, residual support = 11.9:
      O   HA    LEU  123 - HN    ALA  124   2.28 +/- 0.02  97.734% * 99.5133% (1.00  10.0   4.12  11.93) =  99.999%  kept
          HA    ILE   56 - HN    ALA  124  16.74 +/- 2.77   0.369% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  21.15 +/- 6.97   0.272% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  18.92 +/- 5.87   0.386% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  15.29 +/- 2.73   0.550% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.90 +/- 1.20   0.254% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  24.43 +/- 4.92   0.133% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  23.19 +/- 6.45   0.203% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  28.25 +/- 7.18   0.100% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 1.8, residual support = 9.13:
      O   HA    ALA  124 - HN    ALA  124   2.75 +/- 0.24  97.647% * 99.5718% (1.00  10.0   1.80   9.13) =  99.998%  kept
          HA    ARG+  54 - HN    ALA  124  20.97 +/- 3.82   0.731% *  0.1067% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ALA  124  15.63 +/- 0.61   0.561% *  0.0496% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  26.01 +/- 6.12   0.240% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  22.68 +/- 5.45   0.350% *  0.0341% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  29.47 +/- 4.64   0.127% *  0.0886% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.25 +/- 3.93   0.146% *  0.0538% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  25.47 +/- 6.57   0.198% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 4.36, residual support = 31.6:
      O   HA    HIS  122 - HN    LEU  123   3.39 +/- 0.09  97.058% * 99.8702% (1.00  10.0   4.36  31.61) =  99.999%  kept
          HA    VAL   41 - HN    LEU  123  17.21 +/- 4.52   1.188% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    LEU  123  21.34 +/- 3.84   1.168% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  19.43 +/- 2.18   0.587% *  0.0249% (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 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.92, residual support = 201.7:
      O   HA    LEU  123 - HN    LEU  123   2.86 +/- 0.06  92.613% * 99.5133% (1.00  10.0   5.92 201.74) =  99.995%  kept
          HA    ILE   56 - HN    LEU  123  14.06 +/- 2.64   1.291% *  0.0989% (0.99   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  13.00 +/- 2.92   2.753% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    LEU  123  18.43 +/- 6.19   0.758% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  13.47 +/- 0.95   0.933% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  16.60 +/- 5.17   0.958% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    LEU  123  22.75 +/- 4.14   0.268% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  22.47 +/- 5.03   0.283% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  27.82 +/- 5.45   0.142% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 6.81, residual support = 71.0:
          HD2   HIS  122 - HN    HIS  122   2.79 +/- 0.37  95.651% * 97.2692% (0.11   6.82  71.03) =  99.982%  kept
          HE22  GLN  116 - HN    HIS  122   9.15 +/- 1.52   3.693% *  0.3154% (0.12   0.02   0.02) =   0.013%
          HE22  GLN   17 - HN    HIS  122  22.09 +/- 4.50   0.297% *  0.9064% (0.35   0.02   0.02) =   0.003%
          HE22  GLN   90 - HN    HIS  122  25.20 +/- 4.08   0.217% *  0.7067% (0.27   0.02   0.02) =   0.002%
          HE22  GLN   32 - HN    HIS  122  27.47 +/- 3.96   0.142% *  0.8022% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.24 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 = 5.26, residual support = 71.0:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  98.350% * 99.8131% (0.30  10.0   5.26  71.03) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  15.72 +/- 4.45   1.136% *  0.1192% (0.35   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    HIS  122  17.72 +/- 2.08   0.515% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.609, support = 5.25, residual support = 180.9:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.01  61.609% * 38.4533% (0.49  10.0   6.45 313.21) =  57.341%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.55 +/- 0.03  28.802% * 61.1842% (0.77  10.0   3.64   2.95) =  42.654%  kept
          QB    SER  117 - HN    LYS+ 121   5.79 +/- 0.65   7.618% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+ 121  16.08 +/- 2.34   0.468% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LYS+ 121  16.30 +/- 1.63   0.322% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  21.64 +/- 5.28   0.218% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  22.94 +/- 2.96   0.153% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  21.84 +/- 2.46   0.152% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  21.64 +/- 2.89   0.164% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  19.60 +/- 3.21   0.255% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  22.69 +/- 2.74   0.132% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.42 +/- 3.51   0.107% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.733, support = 3.58, residual support = 13.3:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.05  73.228% * 90.7104% (0.74  10.0   3.58  13.51) =  98.474%  kept
          HA    LYS+ 121 - HN    ALA  120   5.14 +/- 0.16  11.852% *  8.0165% (0.35   1.0   3.77   2.95) =   1.409%  kept
          QB    SER  117 - HN    ALA  120   5.08 +/- 0.17  12.162% *  0.6334% (0.12   1.0   0.83   5.23) =   0.114%  kept
          HA    LYS+  65 - HN    ALA  120  16.16 +/- 1.96   0.440% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ALA  120  15.90 +/- 2.23   0.548% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  22.83 +/- 3.27   0.231% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  22.30 +/- 4.87   0.229% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  18.40 +/- 3.27   0.383% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  21.12 +/- 2.62   0.216% *  0.0641% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  20.28 +/- 2.94   0.251% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  22.63 +/- 2.79   0.167% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  25.66 +/- 2.92   0.109% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  22.27 +/- 2.98   0.184% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.763, support = 4.2, residual support = 11.9:
          HB2   LEU  123 - HN    ALA  124   4.18 +/- 0.10  79.983% * 96.2110% (0.76   4.20  11.93) =  99.886%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.45 +/- 0.18   6.960% *  0.4348% (0.73   0.02   0.02) =   0.039%
          QD    LYS+  38 - HN    ALA  124  20.22 +/- 5.02   3.451% *  0.5664% (0.95   0.02   0.02) =   0.025%
          HG3   PRO   93 - HN    ALA  124  21.73 +/- 4.49   2.767% *  0.4795% (0.80   0.02   0.02) =   0.017%
          QD    LYS+  65 - HN    ALA  124  16.73 +/- 4.35   2.755% *  0.4576% (0.76   0.02   0.02) =   0.016%
          QD    LYS+ 102 - HN    ALA  124  22.82 +/- 6.06   0.838% *  0.5664% (0.95   0.02   0.02) =   0.006%
          HB3   MET   92 - HN    ALA  124  23.92 +/- 4.69   1.162% *  0.2247% (0.38   0.02   0.02) =   0.003%
          HB    VAL   83 - HN    ALA  124  29.05 +/- 3.88   0.310% *  0.5002% (0.84   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ALA  124  23.14 +/- 1.29   0.496% *  0.2915% (0.49   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HN    ALA  124  22.39 +/- 4.12   0.721% *  0.1185% (0.20   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    ALA  124  23.34 +/- 3.22   0.557% *  0.1493% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.8, residual support = 9.13:
      O   QB    ALA  124 - HN    ALA  124   2.36 +/- 0.30  96.197% * 98.5473% (0.65  10.0   1.80   9.13) =  99.996%  kept
          HB3   PRO   93 - HN    ALA  124  20.90 +/- 3.95   0.401% *  0.1514% (0.90   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  17.28 +/- 4.57   0.497% *  0.0956% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA  124  18.32 +/- 4.32   0.410% *  0.0956% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA  124  15.19 +/- 2.82   0.561% *  0.0634% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  20.68 +/- 4.45   0.236% *  0.1465% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.10 +/- 1.66   0.243% *  0.1290% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  23.48 +/- 3.11   0.211% *  0.1465% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  22.00 +/- 5.58   0.225% *  0.1290% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  25.46 +/- 6.93   0.177% *  0.1160% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.26 +/- 2.97   0.240% *  0.0822% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  23.12 +/- 3.12   0.138% *  0.1092% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  24.72 +/- 4.74   0.135% *  0.0822% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  29.16 +/- 4.35   0.104% *  0.0469% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  25.51 +/- 5.34   0.122% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.78 +/- 3.92   0.105% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.975, support = 5.28, residual support = 25.6:
          HA    ALA  120 - HN    LEU  123   2.67 +/- 0.11  72.885% * 72.2972% (0.99   5.61  28.25) =  89.739%  kept
          HA    LYS+ 121 - HN    LEU  123   3.97 +/- 0.10  22.907% * 26.2767% (0.84   2.42   2.59) =  10.251%  kept
          QB    SER  117 - HN    LEU  123   8.79 +/- 0.46   2.129% *  0.1266% (0.49   0.02   0.02) =   0.005%
          HA    LYS+  65 - HN    LEU  123  16.27 +/- 2.82   0.420% *  0.1787% (0.69   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  18.71 +/- 2.50   0.268% *  0.2333% (0.90   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    LEU  123  20.52 +/- 6.00   0.304% *  0.1988% (0.76   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU  123  22.93 +/- 3.92   0.242% *  0.1988% (0.76   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU  123  23.28 +/- 3.17   0.186% *  0.2510% (0.97   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LEU  123  25.16 +/- 3.07   0.124% *  0.1988% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  21.22 +/- 4.11   0.536% *  0.0401% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.971, support = 4.59, residual support = 29.0:
          HB3   HIS  122 - HN    LEU  123   3.85 +/- 0.51  69.931% * 80.1241% (0.99   4.90  31.61) =  90.914%  kept
          QE    LYS+ 121 - HN    LEU  123   6.03 +/- 1.12  28.592% * 19.5787% (0.76   1.55   2.59) =   9.083%  kept
          HB3   ASP-  78 - HN    LEU  123  25.68 +/- 4.42   0.557% *  0.1607% (0.49   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    LEU  123  22.98 +/- 3.95   0.615% *  0.0918% (0.28   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LEU  123  26.76 +/- 3.81   0.305% *  0.0447% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 5.49, residual support = 201.3:
          HG    LEU  123 - HN    LEU  123   3.61 +/- 0.19  70.753% * 94.8583% (0.76   5.50 201.74) =  99.774%  kept
          HB3   ASP- 105 - HN    LEU  123  12.87 +/- 5.88   4.147% *  2.1749% (0.76   0.13   0.02) =   0.134%  kept
          HG3   PRO   68 - HN    LEU  123  14.06 +/- 6.66   8.891% *  0.3913% (0.87   0.02   0.02) =   0.052%
          QB    LYS+  66 - HN    LEU  123  12.25 +/- 4.75   5.728% *  0.0893% (0.20   0.02   0.02) =   0.008%
          HB3   PRO   52 - HN    LEU  123  19.78 +/- 4.35   1.410% *  0.3447% (0.76   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HN    LEU  123  14.85 +/- 3.19   1.340% *  0.2022% (0.45   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    LEU  123  19.10 +/- 4.92   0.709% *  0.3768% (0.84   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    LEU  123  20.23 +/- 3.21   0.669% *  0.3612% (0.80   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    LEU  123  25.07 +/- 4.36   0.921% *  0.2196% (0.49   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU  123  12.98 +/- 2.76   2.906% *  0.0610% (0.14   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU  123  21.49 +/- 4.30   0.606% *  0.2918% (0.65   0.02   0.02) =   0.003%
          HG12  ILE  103 - HN    LEU  123  18.73 +/- 4.63   0.752% *  0.2196% (0.49   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LEU  123  18.29 +/- 4.17   0.794% *  0.1539% (0.34   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    LEU  123  24.49 +/- 3.32   0.374% *  0.2554% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.91, residual support = 198.6:
      O   HB2   LEU  123 - HN    LEU  123   2.30 +/- 0.27  88.105% * 86.2203% (0.76  10.0   5.95 201.74) =  98.402%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.06 +/- 0.06   9.370% * 13.1478% (0.73   1.0   3.21   2.59) =   1.596%  kept
          QD    LYS+  65 - HN    LEU  123  15.32 +/- 3.19   0.580% *  0.0862% (0.76   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LEU  123  19.00 +/- 4.03   0.337% *  0.1067% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.05 +/- 3.82   0.397% *  0.0903% (0.80   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  20.15 +/- 5.47   0.252% *  0.1067% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  20.28 +/- 4.00   0.238% *  0.0423% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  19.38 +/- 1.19   0.171% *  0.0549% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  25.77 +/- 3.45   0.089% *  0.0942% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.93 +/- 2.85   0.211% *  0.0281% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.97 +/- 3.53   0.248% *  0.0223% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.33, residual support = 201.7:
          QD1   LEU  123 - HN    LEU  123   2.34 +/- 0.57  71.251% * 84.8146% (0.90   6.34 201.74) =  96.015%  kept
          QD2   LEU  123 - HN    LEU  123   4.16 +/- 0.13  17.481% * 14.2026% (0.15   6.17 201.74) =   3.945%  kept
          QD1   LEU   71 - HN    LEU  123  15.01 +/- 4.90   5.016% *  0.2675% (0.90   0.02   0.02) =   0.021%
          QG1   VAL   70 - HN    LEU  123  10.72 +/- 4.25   3.059% *  0.2049% (0.69   0.02   0.02) =   0.010%
          HB3   LEU  104 - HN    LEU  123  14.94 +/- 7.10   1.349% *  0.2956% (0.99   0.02   0.02) =   0.006%
          QG1   VAL   18 - HN    LEU  123  15.33 +/- 4.29   0.764% *  0.1689% (0.57   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU  123  12.21 +/- 3.56   1.081% *  0.0460% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.91 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 = 0.247, support = 7.07, residual support = 36.8:
      O   HA    LYS+ 121 - HN    HIS  122   3.49 +/- 0.01  45.420% * 65.6683% (0.20  10.0   7.56  55.33) =  65.212%  kept
          HA    ALA  120 - HN    HIS  122   3.45 +/- 0.06  47.248% * 33.6689% (0.33   1.0   6.14   2.09) =  34.780%  kept
          QB    SER  117 - HN    HIS  122   8.00 +/- 0.49   3.961% *  0.0289% (0.09   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    HIS  122  15.21 +/- 2.31   0.667% *  0.1071% (0.33   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    HIS  122  19.93 +/- 5.67   0.478% *  0.1119% (0.34   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  16.95 +/- 2.43   0.564% *  0.0750% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    HIS  122  23.72 +/- 2.84   0.201% *  0.1119% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  20.02 +/- 3.55   0.564% *  0.0396% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  22.03 +/- 2.63   0.241% *  0.0886% (0.27   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  21.88 +/- 3.37   0.303% *  0.0565% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.66 +/- 3.56   0.188% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  23.78 +/- 2.57   0.167% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.26, support = 6.14, residual support = 14.6:
          HA    ILE  119 - HN    HIS  122   3.72 +/- 0.23  69.390% * 60.3191% (0.27   6.36  16.87) =  81.285%  kept
          HA    THR  118 - HN    HIS  122   5.45 +/- 0.40  24.623% * 39.1135% (0.21   5.20   4.77) =  18.704%  kept
          HD3   PRO   58 - HN    HIS  122  12.38 +/- 2.72   3.390% *  0.0690% (0.10   0.02   0.02) =   0.005%
          HB2   TRP   49 - HN    HIS  122  24.07 +/- 3.96   0.652% *  0.1705% (0.24   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    HIS  122  18.55 +/- 2.48   0.697% *  0.1306% (0.19   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    HIS  122  17.15 +/- 2.25   0.819% *  0.0766% (0.11   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  22.04 +/- 2.67   0.429% *  0.1208% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.21 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 = 5.38, residual support = 71.0:
      O   HB2   HIS  122 - HN    HIS  122   3.42 +/- 0.46  89.564% * 99.5910% (0.11  10.0   5.38  71.03) =  99.990%  kept
          HA    LEU   63 - HN    HIS  122  10.61 +/- 3.51   7.942% *  0.0565% (0.06   1.0   0.02   0.02) =   0.005%
          HA    LYS+ 112 - HN    HIS  122  13.76 +/- 0.83   1.629% *  0.1827% (0.20   1.0   0.02   0.02) =   0.003%
          HB2   HIS   22 - HN    HIS  122  25.37 +/- 5.01   0.865% *  0.1698% (0.19   1.0   0.02   0.02) =   0.002%
    Distance limit 3.89 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 = 0.317, support = 6.57, residual support = 69.8:
      O   HB3   HIS  122 - HN    HIS  122   2.89 +/- 0.46  70.283% * 82.5649% (0.33  10.0   6.58  71.03) =  91.951%  kept
          QE    LYS+ 121 - HN    HIS  122   4.84 +/- 1.06  29.256% * 17.3615% (0.21   1.0   6.40  55.33) =   8.048%  kept
          HB3   ASP-  78 - HN    HIS  122  24.31 +/- 3.94   0.220% *  0.0579% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  21.77 +/- 3.76   0.242% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.309, support = 7.43, residual support = 51.6:
          HB2   LYS+ 121 - HN    HIS  122   3.31 +/- 0.08  60.277% * 73.3498% (0.33   7.82  55.33) =  84.240%  kept
          HB2   LEU  123 - HN    HIS  122   4.10 +/- 0.23  32.299% * 25.5868% (0.17   5.30  31.61) =  15.746%  kept
          QD    LYS+  65 - HN    HIS  122  14.51 +/- 2.61   1.119% *  0.1913% (0.34   0.02   0.02) =   0.004%
          QD    LYS+  38 - HN    HIS  122  18.26 +/- 3.58   0.611% *  0.1965% (0.35   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    HIS  122  19.00 +/- 5.36   0.564% *  0.1439% (0.26   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    HIS  122  16.63 +/- 3.37   0.745% *  0.1043% (0.19   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    HIS  122  12.50 +/- 2.42   2.086% *  0.0347% (0.06   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  18.61 +/- 3.51   0.660% *  0.0815% (0.15   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  24.17 +/- 3.42   0.202% *  0.1965% (0.35   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    HIS  122  18.82 +/- 3.55   0.708% *  0.0347% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  18.34 +/- 1.23   0.373% *  0.0494% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.93 +/- 1.60   0.356% *  0.0306% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.277, support = 6.65, residual support = 55.3:
          HB3   LYS+ 121 - HN    HIS  122   4.15 +/- 0.28  42.800% * 66.8572% (0.35   6.34  55.33) =  65.733%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.12 +/- 0.75  46.306% * 32.1746% (0.15   7.27  55.33) =  34.225%  kept
          QD    LYS+  66 - HN    HIS  122  12.86 +/- 4.44   4.906% *  0.1724% (0.28   0.02   0.02) =   0.019%
          HG    LEU  104 - HN    HIS  122  14.85 +/- 6.25   2.073% *  0.2110% (0.35   0.02   0.02) =   0.010%
          HD3   LYS+  74 - HN    HIS  122  19.14 +/- 3.88   1.341% *  0.1930% (0.32   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HN    HIS  122  16.18 +/- 1.37   0.707% *  0.1987% (0.33   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    HIS  122  15.69 +/- 2.35   0.918% *  0.0734% (0.12   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    HIS  122  19.84 +/- 3.26   0.586% *  0.0598% (0.10   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    HIS  122  21.84 +/- 4.04   0.363% *  0.0598% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.32, residual support = 31.6:
          QD1   LEU  123 - HN    HIS  122   3.22 +/- 0.77  62.680% * 98.4913% (0.31   6.33  31.61) =  99.823%  kept
          QD1   LEU   71 - HN    HIS  122  14.20 +/- 4.93  14.363% *  0.3113% (0.31   0.02   0.02) =   0.072%
          QG1   VAL   70 - HN    HIS  122   9.76 +/- 4.04  10.849% *  0.3557% (0.35   0.02   0.02) =   0.062%
          HB3   LEU  104 - HN    HIS  122  13.57 +/- 7.01   5.835% *  0.1888% (0.19   0.02   0.02) =   0.018%
          HB3   LEU   63 - HN    HIS  122  10.75 +/- 3.54   4.236% *  0.2321% (0.23   0.02   0.02) =   0.016%
          QG1   VAL   18 - HN    HIS  122  14.37 +/- 4.12   1.294% *  0.3580% (0.35   0.02   0.02) =   0.007%
          QG1   VAL  108 - HN    HIS  122  15.21 +/- 1.96   0.744% *  0.0628% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 1 structures by 0.10 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.551, support = 3.49, residual support = 7.13:
          HA    ILE  119 - HN    LYS+ 121   3.92 +/- 0.17  36.435% * 62.7075% (0.61   4.02   7.40) =  51.111%  kept
          HA    THR  118 - HN    LYS+ 121   3.28 +/- 0.26  60.092% * 36.3594% (0.49   2.94   6.85) =  48.877%  kept
          HD3   PRO   58 - HN    LYS+ 121  12.67 +/- 1.93   1.542% *  0.1135% (0.22   0.02   0.02) =   0.004%
          HB2   TRP   49 - HN    LYS+ 121  23.75 +/- 3.60   0.424% *  0.2803% (0.55   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    LYS+ 121  15.14 +/- 2.38   0.800% *  0.1260% (0.25   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    LYS+ 121  18.77 +/- 2.29   0.389% *  0.2147% (0.42   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    LYS+ 121  21.40 +/- 2.58   0.318% *  0.1986% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.756, support = 6.93, residual support = 310.9:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.38 +/- 0.28  85.583% * 93.7153% (0.76  10.0   6.96 313.21) =  99.246%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.98 +/- 0.45  10.567% *  5.7532% (0.39   1.0   2.39   2.59) =   0.752%  kept
          QD    LYS+  65 - HN    LYS+ 121  15.42 +/- 2.16   0.463% *  0.0956% (0.77   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LYS+ 121  15.59 +/- 3.31   0.457% *  0.0521% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  18.60 +/- 4.85   0.323% *  0.0719% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  19.18 +/- 3.24   0.222% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  19.18 +/- 3.57   0.433% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  12.90 +/- 1.68   0.775% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  23.85 +/- 3.02   0.113% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  16.32 +/- 1.49   0.312% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  17.78 +/- 3.55   0.443% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  16.91 +/- 1.81   0.309% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.518, support = 5.35, residual support = 221.9:
          HD2   LYS+ 121 - HN    LYS+ 121   3.95 +/- 0.61  30.595% * 82.3345% (0.64   6.13 313.21) =  70.559%  kept
          QB    ALA  120 - HN    LYS+ 121   2.88 +/- 0.11  64.295% * 16.3348% (0.22   3.50   2.95) =  29.417%  kept
          HG    LEU  115 - HN    LYS+ 121   9.48 +/- 0.90   1.971% *  0.0933% (0.22   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HN    LYS+ 121  19.66 +/- 3.61   0.489% *  0.3349% (0.80   0.02   0.02) =   0.005%
          QD    LYS+  66 - HN    LYS+ 121  14.07 +/- 3.95   1.138% *  0.1380% (0.33   0.02   0.02) =   0.004%
          HB3   LEU   40 - HN    LYS+ 121  15.73 +/- 4.66   0.851% *  0.1634% (0.39   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HN    LYS+ 121  16.66 +/- 1.85   0.375% *  0.2912% (0.70   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    LYS+ 121  20.51 +/- 3.39   0.286% *  0.3099% (0.74   0.02   0.02) =   0.002%
    Distance limit 2.94 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 = 0.763, support = 5.8, residual support = 307.8:
          HG2   LYS+ 121 - HN    LYS+ 121   4.29 +/- 0.15  62.362% * 94.4617% (0.77   5.88 313.21) =  98.227%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.20 +/- 0.41  21.609% *  4.7190% (0.16   1.43   7.40) =   1.700%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.84 +/- 1.61   8.575% *  0.3301% (0.79   0.02   0.02) =   0.047%
          QB    ALA   20 - HN    LYS+ 121  18.84 +/- 4.02   5.002% *  0.2154% (0.52   0.02   0.02) =   0.018%
          HG13  ILE  103 - HN    LYS+ 121  16.45 +/- 4.44   1.783% *  0.2154% (0.52   0.02   0.02) =   0.006%
          HB3   LEU   31 - HN    LYS+ 121  21.38 +/- 3.71   0.669% *  0.0583% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.15 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 2.12, residual support = 2.57:
          QD1   LEU  123 - HN    LYS+ 121   4.52 +/- 0.48  49.328% * 87.9673% (0.72   2.15   2.59) =  96.465%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.62 +/- 0.11  14.913% *  9.0306% (0.12   1.28   2.59) =   2.994%  kept
          QD1   LEU   71 - HN    LYS+ 121  15.35 +/- 5.01  12.691% *  0.8170% (0.72   0.02   0.02) =   0.231%  kept
          HB3   LEU  104 - HN    LYS+ 121  13.29 +/- 6.48   8.559% *  0.9029% (0.79   0.02   0.02) =   0.172%  kept
          QG1   VAL   70 - HN    LYS+ 121  10.98 +/- 3.54   6.754% *  0.6258% (0.55   0.02   0.02) =   0.094%
          QG1   VAL   18 - HN    LYS+ 121  15.31 +/- 3.86   2.405% *  0.5158% (0.45   0.02   0.02) =   0.028%
          HB3   LEU   63 - HN    LYS+ 121  11.70 +/- 3.46   5.351% *  0.1406% (0.12   0.02   0.02) =   0.017%
    Distance limit 4.24 A violated in 0 structures by 0.09 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.13, residual support = 52.6:
          HB    ILE  119 - HN    ALA  120   2.94 +/- 0.27  92.907% * 97.5247% (0.90   5.13  52.60) =  99.983%  kept
          HB    VAL  108 - HN    ALA  120  14.94 +/- 2.20   0.915% *  0.3238% (0.77   0.02   0.02) =   0.003%
          HB2   PRO   93 - HN    ALA  120  13.87 +/- 2.93   1.617% *  0.1738% (0.41   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    ALA  120  17.04 +/- 4.47   1.087% *  0.2351% (0.56   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    ALA  120  17.58 +/- 2.38   0.558% *  0.2962% (0.71   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ALA  120  13.32 +/- 1.48   1.343% *  0.1196% (0.28   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ALA  120  23.39 +/- 4.61   0.309% *  0.3868% (0.92   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ALA  120  22.08 +/- 3.08   0.307% *  0.3800% (0.90   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ALA  120  22.33 +/- 3.14   0.287% *  0.3667% (0.87   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  21.97 +/- 4.02   0.340% *  0.0967% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  21.60 +/- 3.92   0.328% *  0.0967% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.02, residual support = 13.4:
      O   QB    ALA  120 - HN    ALA  120   2.07 +/- 0.09  90.762% * 83.6074% (0.49  10.0   4.02  13.51) =  98.949%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.14 +/- 0.88   5.090% * 15.7793% (0.49   1.0   3.77   2.95) =   1.047%  kept
          HG    LEU  115 - HN    ALA  120   8.34 +/- 1.01   1.675% *  0.0836% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    ALA  120  17.16 +/- 4.04   0.297% *  0.1214% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  16.25 +/- 2.43   0.295% *  0.0964% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.63 +/- 3.43   0.193% *  0.1467% (0.85   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  14.87 +/- 5.21   0.897% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  13.81 +/- 4.21   0.646% *  0.0314% (0.18   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  20.87 +/- 3.41   0.146% *  0.1092% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.485, support = 5.73, residual support = 52.5:
          QG2   ILE  119 - HN    ALA  120   3.13 +/- 0.65  80.152% * 96.6795% (0.49   5.74  52.60) =  99.869%  kept
          QD2   LEU   71 - HN    ALA  120  15.56 +/- 4.44   7.431% *  0.5348% (0.77   0.02   0.02) =   0.051%
          QD1   LEU   67 - HN    ALA  120  12.05 +/- 3.99   5.809% *  0.5127% (0.74   0.02   0.02) =   0.038%
          QG2   ILE  103 - HN    ALA  120  13.18 +/- 3.14   2.007% *  0.5742% (0.83   0.02   0.02) =   0.015%
          QD2   LEU   40 - HN    ALA  120  12.55 +/- 3.18   1.918% *  0.4893% (0.71   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HN    ALA  120  19.56 +/- 3.56   0.954% *  0.6179% (0.89   0.02   0.02) =   0.008%
          QD1   ILE  103 - HN    ALA  120  15.41 +/- 2.62   0.985% *  0.4649% (0.67   0.02   0.02) =   0.006%
          HB    VAL   75 - HN    ALA  120  16.60 +/- 1.68   0.745% *  0.1267% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 2.78, residual support = 15.4:
      O   QB    SER  117 - HN    SER  117   2.13 +/- 0.08  94.668% * 88.6093% (0.25  10.0   2.79  15.40) =  99.768%  kept
          HA    ALA  120 - HN    SER  117   7.76 +/- 0.44   2.034% *  9.2474% (0.95   1.0   0.55   5.23) =   0.224%  kept
          HA    LYS+ 121 - HN    SER  117   9.03 +/- 0.82   1.383% *  0.2012% (0.57   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    SER  117  13.63 +/- 2.11   0.491% *  0.2299% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    SER  117  20.76 +/- 3.60   0.244% *  0.3429% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  17.55 +/- 1.59   0.201% *  0.3280% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER  117  16.04 +/- 3.27   0.345% *  0.1212% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  19.37 +/- 2.36   0.153% *  0.2716% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  18.21 +/- 2.72   0.189% *  0.1730% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  25.04 +/- 3.64   0.074% *  0.3429% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  20.09 +/- 2.93   0.168% *  0.0622% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.16 +/- 2.70   0.051% *  0.0703% (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 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.381, support = 5.18, residual support = 28.3:
          HG3   GLN  116 - HN    SER  117   4.92 +/- 0.58  38.965% * 69.0767% (0.49   5.06  28.31) =  63.421%  kept
          HG2   GLN  116 - HN    SER  117   4.45 +/- 1.09  51.841% * 29.9156% (0.20   5.39  28.31) =  36.543%  kept
          HB3   PHE   95 - HN    SER  117   9.71 +/- 1.41   7.914% *  0.1399% (0.25   0.02   0.02) =   0.026%
          HB3   TRP   87 - HN    SER  117  17.79 +/- 1.93   1.086% *  0.3177% (0.57   0.02   0.02) =   0.008%
          HG2   GLU-  25 - HN    SER  117  30.12 +/- 5.21   0.194% *  0.5500% (0.98   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.21 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 28.3:
          HB2   GLN  116 - HN    SER  117   3.42 +/- 0.27  93.897% * 98.7774% (0.97   4.91  28.31) =  99.979%  kept
          HB3   PHE   97 - HN    SER  117  13.18 +/- 2.13   2.128% *  0.4170% (1.00   0.02   0.02) =   0.010%
          HB2   PRO   58 - HN    SER  117  11.88 +/- 1.77   2.837% *  0.3028% (0.73   0.02   0.02) =   0.009%
          HB2   GLU- 100 - HN    SER  117  23.86 +/- 2.54   0.314% *  0.3740% (0.90   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    SER  117  20.63 +/- 3.95   0.824% *  0.1287% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.15 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 6.82, residual support = 110.6:
          HG2   GLN  116 - HN    GLN  116   3.48 +/- 0.53  88.527% * 91.4228% (0.73   6.89 111.91) =  98.860%  kept
          HB3   PHE   95 - HN    GLN  116   9.00 +/- 1.32  11.216% *  8.3118% (0.80   0.57   0.02) =   1.139%  kept
          HG2   GLU-  25 - HN    GLN  116  29.60 +/- 4.67   0.257% *  0.2654% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.08 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.46, residual support = 111.9:
      O   HB2   GLN  116 - HN    GLN  116   2.12 +/- 0.08  97.702% * 99.6757% (0.98  10.0   7.46 111.91) =  99.999%  kept
          HB2   PRO   58 - HN    GLN  116  10.46 +/- 1.47   1.001% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.56 +/- 1.75   0.465% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  19.37 +/- 4.45   0.705% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.34 +/- 1.77   0.069% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.11 +/- 2.45   0.058% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.781, support = 7.05, residual support = 83.0:
          HB2   LEU  115 - HN    GLN  116   3.40 +/- 0.51  62.697% * 63.9052% (0.80   7.51  99.60) =  83.051%  kept
          QB    GLU- 114 - HN    GLN  116   5.00 +/- 0.35  23.161% * 35.2579% (0.69   4.83   1.78) =  16.927%  kept
          HG3   PRO   58 - HN    GLN  116  10.37 +/- 1.26   2.823% *  0.1776% (0.84   0.02   0.02) =   0.010%
          HB2   LYS+ 111 - HN    GLN  116   7.69 +/- 1.18   8.252% *  0.0328% (0.15   0.02   0.02) =   0.006%
          HG2   PRO   68 - HN    GLN  116  18.45 +/- 3.68   0.607% *  0.1776% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   67 - HN    GLN  116  16.89 +/- 2.95   0.760% *  0.0874% (0.41   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLN  116  21.97 +/- 3.22   0.390% *  0.1625% (0.76   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN  116  28.61 +/- 4.64   0.297% *  0.0725% (0.34   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  19.43 +/- 3.21   0.501% *  0.0421% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  23.08 +/- 3.11   0.277% *  0.0421% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  24.01 +/- 2.73   0.235% *  0.0421% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.12 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.862, support = 8.14, residual support = 98.4:
          HB3   LEU  115 - HN    GLN  116   3.65 +/- 0.73  44.231% * 50.4993% (0.98   7.85  99.60) =  53.652%  kept
          HG    LEU  115 - HN    GLN  116   3.66 +/- 0.98  45.535% * 41.2695% (0.73   8.66  99.60) =  45.139%  kept
          QB    ALA  120 - HN    GLN  116   7.02 +/- 0.57   6.530% *  7.6646% (0.73   1.61   0.19) =   1.202%  kept
          HG    LEU   67 - HN    GLN  116  16.61 +/- 3.64   0.522% *  0.1312% (1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    GLN  116  17.52 +/- 2.40   0.479% *  0.1286% (0.98   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLN  116  13.99 +/- 2.57   1.037% *  0.0492% (0.38   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN  116  19.61 +/- 4.27   0.546% *  0.0743% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    GLN  116  19.44 +/- 2.57   0.364% *  0.0639% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  16.56 +/- 3.45   0.579% *  0.0292% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.20 +/- 1.78   0.178% *  0.0901% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.73, residual support = 99.6:
          QD1   LEU  115 - HN    GLN  116   4.09 +/- 0.69  95.070% * 99.6364% (0.49   7.73  99.60) =  99.981%  kept
          QG1   VAL   75 - HN    GLN  116  12.57 +/- 2.06   4.930% *  0.3636% (0.69   0.02   0.02) =   0.019%
    Distance limit 4.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.1, residual support = 99.5:
          QD2   LEU  115 - HN    GLN  116   2.68 +/- 0.77  81.771% * 98.6036% (0.57  10.10  99.60) =  99.943%  kept
          QD1   LEU   63 - HN    GLN  116   9.82 +/- 3.14   6.943% *  0.3092% (0.90   0.02   0.02) =   0.027%
          QD2   LEU   63 - HN    GLN  116  10.58 +/- 2.77   5.167% *  0.2880% (0.84   0.02   0.02) =   0.018%
          QD1   LEU   73 - HN    GLN  116  16.99 +/- 3.70   1.467% *  0.3092% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    GLN  116  19.25 +/- 3.96   1.577% *  0.1814% (0.53   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    GLN  116  14.39 +/- 1.90   0.851% *  0.1064% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    GLN  116  16.91 +/- 1.40   0.757% *  0.0959% (0.28   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    GLN  116  19.12 +/- 3.31   0.850% *  0.0532% (0.15   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  15.73 +/- 1.48   0.618% *  0.0532% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.714, support = 2.05, residual support = 14.6:
          QD1   ILE  119 - HN    GLN  116   4.90 +/- 0.71  55.780% * 92.3798% (0.73   2.12  15.17) =  96.372%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.13 +/- 0.98  34.730% *  5.2606% (0.38   0.23   0.02) =   3.417%  kept
          QG2   VAL  108 - HN    GLN  116  10.07 +/- 0.92   7.444% *  1.2008% (1.00   0.02   0.02) =   0.167%  kept
          HB2   LEU  104 - HN    GLN  116  15.53 +/- 2.15   2.046% *  1.1588% (0.97   0.02   0.02) =   0.044%
    Distance limit 4.93 A violated in 0 structures by 0.09 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 0.997, residual support = 2.51:
          HA    LYS+ 112 - HN    LEU  115   3.19 +/- 0.30  96.568% * 95.9334% (0.90   1.00   2.52) =  99.925%  kept
          HB    THR   46 - HN    LEU  115  13.76 +/- 2.87   2.025% *  1.9227% (0.90   0.02   0.02) =   0.042%
          HB2   HIS  122 - HN    LEU  115  13.73 +/- 0.93   1.407% *  2.1439% (1.00   0.02   0.02) =   0.033%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.241, support = 4.98, residual support = 96.4:
          HB2   GLN  116 - HN    LEU  115   4.65 +/- 0.16  73.662% * 67.3655% (0.22   5.12  99.60) =  96.738%  kept
          HB2   PRO   58 - HN    LEU  115  12.17 +/- 1.75   5.158% * 30.5733% (0.80   0.65   0.02) =   3.074%  kept
          HG2   PRO   52 - HN    LEU  115  12.11 +/- 4.03  13.413% *  0.5296% (0.45   0.02   0.02) =   0.138%  kept
          HB3   PHE   97 - HN    LEU  115  13.13 +/- 1.41   3.811% *  0.4029% (0.34   0.02   0.02) =   0.030%
          HB2   GLU-  79 - HN    LEU  115  20.05 +/- 4.07   2.938% *  0.1823% (0.15   0.02   0.02) =   0.010%
          HG3   GLU-  25 - HN    LEU  115  30.09 +/- 4.54   0.459% *  0.7642% (0.65   0.02   0.02) =   0.007%
          HB2   GLU- 100 - HN    LEU  115  24.04 +/- 1.51   0.559% *  0.1823% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.36 A violated in 0 structures by 0.29 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.787, support = 7.15, residual support = 200.8:
      O   HB2   LEU  115 - HN    LEU  115   2.44 +/- 0.43  57.968% * 80.2838% (0.80  10.0   7.35 224.47) =  88.372%  kept
          QB    GLU- 114 - HN    LEU  115   3.16 +/- 0.46  31.680% * 19.3217% (0.69   1.0   5.61  21.21) =  11.623%  kept
          HB2   LYS+ 111 - HN    LEU  115   5.87 +/- 1.51   8.989% *  0.0155% (0.15   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU  115  12.08 +/- 1.38   0.578% *  0.0837% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LEU  115  19.47 +/- 3.33   0.151% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  17.65 +/- 2.62   0.213% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  22.42 +/- 3.32   0.096% *  0.0766% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  20.17 +/- 3.07   0.133% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  28.49 +/- 4.33   0.061% *  0.0342% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  23.98 +/- 3.01   0.072% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  24.69 +/- 2.62   0.060% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.941, support = 7.53, residual support = 224.5:
      O   HB3   LEU  115 - HN    LEU  115   2.88 +/- 0.45  57.163% * 78.1798% (0.98  10.0   7.55 224.47) =  84.659%  kept
          HG    LEU  115 - HN    LEU  115   3.73 +/- 0.96  37.799% * 21.4179% (0.73   1.0   7.40 224.47) =  15.336%  kept
          QB    ALA  120 - HN    LEU  115   8.59 +/- 0.48   2.208% *  0.0579% (0.73   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU  115  19.62 +/- 4.38   1.062% *  0.0452% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU  115  17.38 +/- 3.31   0.338% *  0.0798% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU  115  17.79 +/- 2.24   0.268% *  0.0782% (0.98   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  15.12 +/- 2.35   0.527% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  19.65 +/- 2.37   0.197% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.51 +/- 1.67   0.125% *  0.0548% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.37 +/- 3.10   0.313% *  0.0178% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.506, support = 1.38, residual support = 6.28:
          QG2   VAL  107 - HN    LEU  115   4.35 +/- 1.32  47.910% * 46.3097% (0.53   1.50   6.76) =  75.552%  kept
          HG13  ILE  119 - HN    LEU  115   7.78 +/- 1.38   8.771% * 40.4777% (0.73   0.95   7.18) =  12.089%  kept
          HD3   LYS+ 112 - HN    LEU  115   5.18 +/- 1.36  34.911% * 10.1515% (0.15   1.12   2.52) =  12.068%  kept
          QB    ALA   20 - HN    LEU  115  19.09 +/- 3.82   5.760% *  1.1733% (1.00   0.02   0.02) =   0.230%  kept
          HG2   LYS+ 121 - HN    LEU  115  12.69 +/- 1.18   1.605% *  0.8986% (0.76   0.02   0.02) =   0.049%
          HB3   LEU   31 - HN    LEU  115  23.34 +/- 2.18   0.262% *  0.8077% (0.69   0.02   0.02) =   0.007%
          HG13  ILE  103 - HN    LEU  115  16.08 +/- 1.39   0.781% *  0.1814% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.91 A violated in 0 structures by 0.06 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.97, residual support = 224.4:
          QD2   LEU  115 - HN    LEU  115   3.51 +/- 0.70  76.401% * 98.8126% (0.65   8.97 224.47) =  99.956%  kept
          QG2   ILE   89 - HN    LEU  115  11.40 +/- 1.89   6.790% *  0.1161% (0.34   0.02   0.02) =   0.010%
          QD1   LEU   73 - HN    LEU  115  16.91 +/- 3.81   7.299% *  0.1051% (0.31   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    LEU  115  10.52 +/- 2.98   5.278% *  0.1051% (0.31   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    LEU  115  14.18 +/- 1.61   1.493% *  0.3053% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    LEU  115  18.94 +/- 3.50   1.660% *  0.2338% (0.69   0.02   0.02) =   0.005%
          QG1   VAL   83 - HN    LEU  115  17.63 +/- 2.45   1.078% *  0.3220% (0.95   0.02   0.02) =   0.005%
    Distance limit 4.50 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 = 7.4, residual support = 224.4:
          QD1   LEU  115 - HN    LEU  115   3.83 +/- 0.57  95.420% * 99.6817% (0.80   7.40 224.47) =  99.985%  kept
          QG1   VAL   75 - HN    LEU  115  12.31 +/- 1.91   4.580% *  0.3183% (0.95   0.02   0.02) =   0.015%
    Distance limit 4.59 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 = 0.583, support = 6.77, residual support = 138.8:
      O   HB    ILE  103 - HN    ILE  103   2.32 +/- 0.40  63.304% * 65.0352% (0.53  10.0   6.74 138.84) =  79.112%  kept
          HG12  ILE  103 - HN    ILE  103   3.21 +/- 0.57  31.735% * 34.2454% (0.80   1.0   6.92 138.84) =  20.884%  kept
          HB    VAL   41 - HN    ILE  103  10.46 +/- 2.99   0.955% *  0.0800% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ILE  103   8.93 +/- 0.54   1.020% *  0.0554% (0.45   1.0   0.02   3.53) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   7.82 +/- 0.70   1.587% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    ILE  103  19.36 +/- 3.33   0.320% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  21.90 +/- 4.33   0.091% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.48 +/- 3.55   0.230% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.52 +/- 4.82   0.323% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  20.81 +/- 3.55   0.112% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  25.41 +/- 3.23   0.050% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.18 +/- 3.32   0.131% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.82 +/- 3.61   0.049% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.95 +/- 1.56   0.094% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 138.8:
          HG13  ILE  103 - HN    ILE  103   3.71 +/- 0.64  85.064% * 98.5447% (0.65   6.23 138.84) =  99.949%  kept
          QG2   VAL  107 - HN    ILE  103  12.04 +/- 1.01   3.085% *  0.4847% (0.99   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HN    ILE  103  16.26 +/- 6.65   3.003% *  0.4719% (0.97   0.02   0.02) =   0.017%
          QB    ALA   20 - HN    ILE  103  17.81 +/- 3.25   2.468% *  0.3163% (0.65   0.02   0.02) =   0.009%
          HB3   LEU   31 - HN    ILE  103  13.82 +/- 5.37   5.403% *  0.0856% (0.18   0.02   0.02) =   0.006%
          HG13  ILE  119 - HN    ILE  103  19.01 +/- 3.07   0.978% *  0.0968% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.09 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.785, support = 6.16, residual support = 138.8:
          QG2   ILE  103 - HN    ILE  103   3.59 +/- 0.18  35.493% * 71.1022% (1.00   6.47 138.84) =  60.984%  kept
          QD1   ILE  103 - HN    ILE  103   2.90 +/- 0.75  57.661% * 27.9785% (0.45   5.68 138.84) =  38.985%  kept
          QD2   LEU   40 - HN    ILE  103   9.18 +/- 3.22   4.250% *  0.2122% (0.97   0.02   0.02) =   0.022%
          QD1   LEU   67 - HN    ILE  103  14.68 +/- 3.13   0.697% *  0.2155% (0.98   0.02   0.02) =   0.004%
          QD2   LEU   71 - HN    ILE  103  14.70 +/- 2.70   0.694% *  0.1245% (0.57   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  103  20.45 +/- 2.76   0.274% *  0.2155% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  15.95 +/- 2.29   0.587% *  0.0904% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  17.06 +/- 2.76   0.344% *  0.0611% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 0.463, support = 7.07, residual support = 201.7:
          HG    LEU  104 - HN    LEU  104   2.82 +/- 0.73  76.390% * 76.5521% (0.45   7.45 215.12) =  93.785%  kept
          HG2   LYS+ 106 - HN    LEU  104   5.92 +/- 1.04  17.626% * 21.8998% (0.69   1.39   0.02) =   6.191%  kept
          HB3   LYS+ 121 - HN    LEU  104  12.59 +/- 5.98   4.033% *  0.2056% (0.45   0.02   0.02) =   0.013%
          HG2   LYS+  33 - HN    LEU  104  17.29 +/- 3.66   0.591% *  0.4544% (0.99   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LEU  104  20.25 +/- 3.42   0.503% *  0.3504% (0.76   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    LEU  104  19.08 +/- 1.90   0.473% *  0.2781% (0.61   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HN    LEU  104  18.23 +/- 3.26   0.384% *  0.2596% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 7.01, residual support = 133.2:
      O   HB2   LEU  104 - HN    LEU  104   2.94 +/- 0.34  34.079% * 65.9638% (0.22  10.0   7.38 215.12) =  53.561%  kept
          QG2   ILE  103 - HN    LEU  104   2.29 +/- 0.49  58.589% * 33.2474% (0.34   1.0   6.58  38.63) =  46.413%  kept
          QD2   LEU   40 - HN    LEU  104   6.96 +/- 3.58   5.708% *  0.1442% (0.49   1.0   0.02   0.02) =   0.020%
          QD1   LEU   67 - HN    LEU  104  12.34 +/- 3.38   0.844% *  0.1328% (0.45   1.0   0.02   0.02) =   0.003%
          HB    VAL   75 - HN    LEU  104  14.13 +/- 1.32   0.266% *  0.2937% (0.99   1.0   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    LEU  104  13.54 +/- 2.44   0.397% *  0.1442% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU  104  18.74 +/- 2.00   0.118% *  0.0739% (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 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 7.17, residual support = 166.7:
          QD2   LEU  104 - HN    LEU  104   3.02 +/- 0.85  61.853% * 64.6775% (0.80   7.85 215.12) =  76.333%  kept
          QD1   LEU   98 - HN    LEU  104   4.23 +/- 0.76  35.350% * 35.0801% (0.69   4.96  10.64) =  23.662%  kept
          QD1   ILE   19 - HN    LEU  104  15.20 +/- 3.47   1.213% *  0.1331% (0.65   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    LEU  104  15.17 +/- 1.57   0.692% *  0.0635% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU  104  14.75 +/- 2.46   0.892% *  0.0458% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.662, support = 7.67, residual support = 57.6:
          HB2   PHE   97 - HN    ASP- 105   2.32 +/- 0.62  74.264% * 72.0550% (0.69   7.82  59.85) =  93.966%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.61 +/- 1.03  16.946% * 18.8761% (0.25   5.64  23.52) =   5.617%  kept
          QE    LYS+  99 - HN    ASP- 105   8.05 +/- 1.03   2.685% *  6.1517% (0.90   0.51   0.43) =   0.290%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.88 +/- 1.11   2.734% *  1.9470% (0.41   0.35   0.02) =   0.093%
          HB3   TRP   27 - HN    ASP- 105  16.74 +/- 4.10   2.380% *  0.7603% (0.73   0.08   0.02) =   0.032%
          QE    LYS+  38 - HN    ASP- 105  15.21 +/- 2.90   0.471% *  0.1735% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  15.22 +/- 2.74   0.520% *  0.0363% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.65, residual support = 59.8:
          HB3   PHE   97 - HN    ASP- 105   2.66 +/- 0.61  95.081% * 98.7248% (0.90   5.65  59.85) =  99.985%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.39 +/- 1.10   1.763% *  0.3897% (1.00   0.02   0.02) =   0.007%
          HB2   GLN  116 - HN    ASP- 105  15.45 +/- 2.04   0.822% *  0.3819% (0.98   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    ASP- 105  17.94 +/- 4.63   1.300% *  0.1747% (0.45   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    ASP- 105  18.40 +/- 2.72   0.454% *  0.2206% (0.57   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    ASP- 105  18.30 +/- 3.17   0.579% *  0.1083% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.66, residual support = 41.7:
      O   HB2   ASP- 105 - HN    ASP- 105   3.51 +/- 0.30  84.890% * 99.3924% (0.80  10.0   4.66  41.70) =  99.990%  kept
          HG12  ILE  119 - HN    ASP- 105  12.90 +/- 3.58   3.351% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    ASP- 105  11.65 +/- 1.38   2.666% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    ASP- 105  21.12 +/- 3.72   0.795% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  12.75 +/- 2.91   2.458% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  18.83 +/- 1.72   0.633% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  15.83 +/- 2.70   1.375% *  0.0423% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  12.86 +/- 1.52   1.987% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    ASP- 105  18.86 +/- 2.06   0.624% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP- 105  22.29 +/- 4.25   0.620% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  19.84 +/- 3.22   0.602% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.776, support = 4.55, residual support = 39.6:
      O   HB3   ASP- 105 - HN    ASP- 105   2.92 +/- 0.30  64.216% * 70.5118% (0.76  10.0   4.60  41.70) =  91.227%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.98 +/- 0.32  14.717% * 21.4894% (0.98   1.0   4.75  23.52) =   6.372%  kept
          HB    ILE  103 - HN    ASP- 105   5.25 +/- 0.82  16.134% *  7.3672% (0.69   1.0   2.32   3.53) =   2.395%  kept
          HB3   GLN   30 - HN    ASP- 105  16.59 +/- 3.52   0.995% *  0.0485% (0.53   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  17.14 +/- 3.61   0.575% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  20.04 +/- 3.83   0.463% *  0.0890% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ASP- 105  17.56 +/- 2.90   0.445% *  0.0852% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  16.50 +/- 3.90   0.546% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  17.22 +/- 2.99   0.445% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  17.73 +/- 3.99   0.391% *  0.0597% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.68 +/- 3.37   0.209% *  0.0670% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  18.11 +/- 1.35   0.324% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  18.35 +/- 3.93   0.540% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.545, support = 5.4, residual support = 30.5:
          HG    LEU  104 - HN    ASP- 105   4.26 +/- 0.60  45.510% * 51.0996% (0.45   6.44  35.36) =  59.066%  kept
          HG2   LYS+ 106 - HN    ASP- 105   4.98 +/- 1.08  33.709% * 47.7047% (0.69   3.92  23.52) =  40.843%  kept
          HB3   LYS+ 121 - HN    ASP- 105  10.98 +/- 6.11  17.418% *  0.1588% (0.45   0.02   0.02) =   0.070%
          HG2   LYS+  33 - HN    ASP- 105  18.37 +/- 3.25   0.801% *  0.3510% (0.99   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HN    ASP- 105  16.32 +/- 3.39   1.341% *  0.2005% (0.57   0.02   0.02) =   0.007%
          QG    LYS+  81 - HN    ASP- 105  19.92 +/- 3.07   0.566% *  0.2706% (0.76   0.02   0.02) =   0.004%
          HD3   LYS+  74 - HN    ASP- 105  18.83 +/- 1.80   0.656% *  0.2148% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.275, support = 4.66, residual support = 21.2:
          HB2   LEU  104 - HN    ASP- 105   2.88 +/- 0.67  40.737% * 60.4998% (0.22   6.36  35.36) =  55.463%  kept
          QG2   ILE  103 - HN    ASP- 105   2.56 +/- 0.69  53.094% * 37.2254% (0.34   2.55   3.53) =  44.478%  kept
          QD2   LEU   40 - HN    ASP- 105   7.32 +/- 3.43   4.342% *  0.4159% (0.49   0.02   0.02) =   0.041%
          QD1   LEU   67 - HN    ASP- 105  12.01 +/- 3.36   0.873% *  0.3831% (0.45   0.02   0.02) =   0.008%
          HB    VAL   75 - HN    ASP- 105  13.76 +/- 1.11   0.279% *  0.8469% (0.99   0.02   0.02) =   0.005%
          QD1   ILE  119 - HN    ASP- 105  12.16 +/- 2.71   0.552% *  0.4159% (0.49   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HN    ASP- 105  18.59 +/- 1.93   0.122% *  0.2131% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.27 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 = 0.978, support = 3.78, residual support = 23.4:
          HB2   ASP- 105 - HN    LYS+ 106   3.00 +/- 0.42  86.082% * 91.1873% (0.98   3.80  23.52) =  99.651%  kept
          HG12  ILE  119 - HN    LYS+ 106  11.77 +/- 3.38   3.669% *  6.9697% (0.41   0.69   0.02) =   0.325%  kept
          HB2   MET   96 - HN    LYS+ 106   8.29 +/- 0.80   5.168% *  0.1513% (0.31   0.02   2.14) =   0.010%
          HG3   MET   92 - HN    LYS+ 106  16.81 +/- 1.83   0.727% *  0.4396% (0.90   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LYS+ 106  15.78 +/- 1.44   0.848% *  0.3746% (0.76   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    LYS+ 106  14.21 +/- 3.07   2.781% *  0.0756% (0.15   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  19.39 +/- 1.92   0.421% *  0.4094% (0.84   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    LYS+ 106  23.73 +/- 3.60   0.305% *  0.3925% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.966, support = 5.27, residual support = 127.8:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.00 +/- 0.28  62.412% * 86.3648% (0.98  10.0   5.37 134.86) =  93.653%  kept
          HB3   ASP- 105 - HN    LYS+ 106   4.02 +/- 0.26  28.117% * 12.9715% (0.76   1.0   3.85  23.52) =   6.337%  kept
          HB    ILE  103 - HN    LYS+ 106   7.36 +/- 0.45   4.676% *  0.0605% (0.69   1.0   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    LYS+ 106  15.71 +/- 3.10   1.163% *  0.0813% (0.92   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LYS+ 106  15.71 +/- 3.33   0.656% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LYS+ 106  19.55 +/- 3.56   0.517% *  0.0850% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+ 106  20.02 +/- 2.92   0.281% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.24 +/- 3.23   0.418% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.92 +/- 3.45   0.270% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.45 +/- 3.10   0.247% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  16.07 +/- 1.58   0.453% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.58 +/- 3.30   0.260% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.91 +/- 3.62   0.529% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 2.65, residual support = 3.25:
          QG2   THR  118 - HN    LYS+ 106   6.75 +/- 3.94 100.000% *100.0000% (0.53   2.65   3.25) = 100.000%  kept
    Distance limit 4.75 A violated in 7 structures by 2.53 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 46.2:
          HB2   PHE   95 - HN    VAL  107   2.89 +/- 0.65 100.000% *100.0000% (1.00   2.31  46.22) = 100.000%  kept
    Distance limit 4.47 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 = 60.2:
      O   HB    VAL  107 - HN    VAL  107   2.48 +/- 0.19  95.627% * 99.7350% (0.99  10.0   3.33  60.19) =  99.997%  kept
          HB3   PHE   45 - HN    VAL  107   9.85 +/- 0.94   1.819% *  0.0691% (0.69   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    VAL  107  10.73 +/- 1.90   1.745% *  0.0691% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    VAL  107  16.37 +/- 2.15   0.501% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  21.45 +/- 2.54   0.175% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  24.06 +/- 2.97   0.133% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.521, support = 5.05, residual support = 26.2:
          QB    LYS+ 106 - HN    VAL  107   3.08 +/- 0.29  78.861% * 84.7446% (0.53   5.11  26.64) =  98.350%  kept
          HB3   ASP- 105 - HN    VAL  107   6.65 +/- 0.59   9.614% * 11.2497% (0.25   1.43   0.02) =   1.592%  kept
          HB    ILE   56 - HN    VAL  107  12.96 +/- 3.08   1.864% *  0.5821% (0.92   0.02   0.02) =   0.016%
          HB2   MET   92 - HN    VAL  107  12.38 +/- 1.37   1.537% *  0.5656% (0.90   0.02   0.02) =   0.013%
          HB3   PRO   58 - HN    VAL  107  15.97 +/- 2.77   0.872% *  0.4579% (0.73   0.02   0.02) =   0.006%
          HB3   GLN   90 - HN    VAL  107  12.78 +/- 2.57   1.469% *  0.2593% (0.41   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    VAL  107   9.49 +/- 0.67   2.981% *  0.1248% (0.20   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    VAL  107  18.56 +/- 2.45   0.428% *  0.6181% (0.98   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    VAL  107  16.90 +/- 2.75   0.743% *  0.3070% (0.49   0.02   0.02) =   0.003%
          HB3   LYS+  38 - HN    VAL  107  21.14 +/- 2.47   0.274% *  0.6250% (0.99   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    VAL  107  20.06 +/- 2.59   0.355% *  0.2151% (0.34   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    VAL  107  18.20 +/- 2.76   0.517% *  0.1404% (0.22   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL  107  18.62 +/- 2.85   0.485% *  0.1104% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 4.12, residual support = 60.0:
          QG1   VAL  107 - HN    VAL  107   3.39 +/- 0.47  85.500% * 91.2210% (0.20   4.14  60.19) =  99.736%  kept
          HG13  ILE  119 - HN    VAL  107  11.05 +/- 2.23   3.624% *  2.2095% (0.99   0.02   0.02) =   0.102%  kept
          HD3   LYS+ 112 - HN    VAL  107  11.45 +/- 2.23   4.564% *  1.3521% (0.61   0.02   0.02) =   0.079%
          QB    ALA   20 - HN    VAL  107  16.76 +/- 2.31   1.344% *  1.3521% (0.61   0.02   0.02) =   0.023%
          HB3   LEU   31 - HN    VAL  107  17.93 +/- 3.36   0.760% *  2.2243% (1.00   0.02   0.02) =   0.022%
          HG2   LYS+ 121 - HN    VAL  107  12.51 +/- 3.91   2.993% *  0.5559% (0.25   0.02   0.02) =   0.021%
          QG1   VAL   24 - HN    VAL  107  17.35 +/- 3.73   1.216% *  1.0851% (0.49   0.02   0.02) =   0.017%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.71, residual support = 65.1:
      O   HB    VAL  108 - HN    VAL  108   2.90 +/- 0.46  89.277% * 99.4150% (0.95  10.0   4.71  65.07) =  99.992%  kept
          HB2   PRO   93 - HN    VAL  108   9.82 +/- 2.36   4.468% *  0.0994% (0.95   1.0   0.02   0.02) =   0.005%
          HB    ILE  119 - HN    VAL  108  12.49 +/- 2.41   1.807% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    VAL  108  18.42 +/- 2.60   0.465% *  0.1030% (0.98   1.0   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    VAL  108  15.80 +/- 4.63   1.891% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.90 +/- 2.85   0.280% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.23 +/- 0.99   0.282% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  16.13 +/- 2.98   0.815% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.51 +/- 2.76   0.263% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  22.66 +/- 2.65   0.275% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  29.86 +/- 3.55   0.104% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.76 +/- 4.48   0.072% *  0.0262% (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 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.63, residual support = 19.7:
          QG2   VAL  107 - HN    VAL  108   3.61 +/- 0.46  84.911% * 92.9847% (0.28   3.64  19.75) =  99.808%  kept
          HG13  ILE  119 - HN    VAL  108  12.51 +/- 1.86   3.002% *  1.7401% (0.95   0.02   0.02) =   0.066%
          HD3   LYS+ 112 - HN    VAL  108  11.00 +/- 1.84   5.874% *  0.6275% (0.34   0.02   0.02) =   0.047%
          HG2   LYS+ 121 - HN    VAL  108  13.83 +/- 3.66   3.729% *  0.8954% (0.49   0.02   0.02) =   0.042%
          QB    ALA   20 - HN    VAL  108  19.37 +/- 2.44   1.040% *  1.5956% (0.87   0.02   0.02) =   0.021%
          HB3   LEU   31 - HN    VAL  108  21.37 +/- 3.61   0.521% *  1.6981% (0.92   0.02   0.02) =   0.011%
          QG1   VAL   24 - HN    VAL  108  19.59 +/- 4.13   0.922% *  0.4587% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.68 A violated in 0 structures by 0.16 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.7:
          QG1   VAL  107 - HN    VAL  108   3.55 +/- 0.43  92.446% * 95.7583% (0.25   4.66  19.75) =  99.892%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.07 +/- 1.55   4.317% *  1.0004% (0.61   0.02   0.02) =   0.049%
          HG    LEU   63 - HN    VAL  108  15.80 +/- 3.03   2.033% *  1.5918% (0.97   0.02   0.02) =   0.037%
          QG2   VAL   24 - HN    VAL  108  18.93 +/- 3.74   1.204% *  1.6495% (1.00   0.02   0.02) =   0.022%
    Distance limit 3.55 A violated in 0 structures by 0.19 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.5:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.03  96.539% * 99.6957% (0.69  10.0   4.64  26.51) =  99.996%  kept
          HA    ALA   61 - HN    ASP-  76  10.77 +/- 3.21   2.372% *  0.0997% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   58 - HN    ASP-  76  16.21 +/- 4.14   0.608% *  0.1340% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ASP-  76  16.36 +/- 2.83   0.481% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.999, support = 3.67, residual support = 35.7:
      O   HB2   ASP-  76 - HN    ASP-  76   3.11 +/- 0.38  88.181% * 96.4434% (1.00  10.0   3.68  35.77) =  99.665%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.13 +/- 0.88   8.361% *  3.4042% (0.73   1.0   0.97   4.61) =   0.334%  kept
          HB2   ASN   69 - HN    ASP-  76  18.88 +/- 1.81   0.472% *  0.0945% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  66 - HN    ASP-  76  15.44 +/- 2.37   1.270% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.49 +/- 3.28   0.787% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  15.61 +/- 2.80   0.929% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.279, support = 3.69, residual support = 35.5:
      O   HB3   ASP-  76 - HN    ASP-  76   2.73 +/- 0.47  79.158% * 93.9773% (0.28  10.0   3.71  35.77) =  99.238%  kept
          HB2   ASP-  44 - HN    ASP-  76   7.91 +/- 2.67  13.338% *  4.1604% (0.45   1.0   0.55   0.02) =   0.740%  kept
          QG    GLN   90 - HN    ASP-  76  12.11 +/- 2.75   2.191% *  0.2187% (0.65   1.0   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    ASP-  76  11.06 +/- 0.76   1.567% *  0.1914% (0.57   1.0   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    ASP-  76  14.71 +/- 3.10   0.917% *  0.2932% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HN    ASP-  76  16.25 +/- 2.99   0.659% *  0.3197% (0.95   1.0   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    ASP-  76  16.14 +/- 2.97   0.584% *  0.3197% (0.95   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  17.03 +/- 2.45   0.457% *  0.1645% (0.49   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  76  18.00 +/- 3.03   0.440% *  0.1645% (0.49   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  76  17.66 +/- 2.61   0.456% *  0.1153% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.28 +/- 2.07   0.232% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.5:
          QG1   VAL   75 - HN    ASP-  76   2.95 +/- 0.30  94.498% * 99.7155% (0.69   4.97  26.51) =  99.983%  kept
          QD1   LEU  115 - HN    ASP-  76  12.14 +/- 3.21   5.502% *  0.2845% (0.49   0.02   0.02) =   0.017%
    Distance limit 3.96 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 = 26.5:
          QG2   VAL   75 - HN    ASP-  76   3.76 +/- 0.44  93.036% * 99.6072% (0.98   4.64  26.51) =  99.970%  kept
          QG2   VAL   42 - HN    ASP-  76  10.57 +/- 1.48   6.964% *  0.3928% (0.90   0.02   0.02) =   0.030%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.4:
      O   HA2   GLY  109 - HN    GLY  109   2.72 +/- 0.22  95.169% * 99.3336% (0.43  10.0   2.20   9.40) =  99.993%  kept
          HA    THR  118 - HN    GLY  109  12.30 +/- 2.03   1.385% *  0.1522% (0.65   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    GLY  109  17.18 +/- 3.77   1.127% *  0.1620% (0.70   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    GLY  109  13.63 +/- 2.89   1.088% *  0.1341% (0.58   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    GLY  109  14.35 +/- 1.85   0.747% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  16.67 +/- 2.66   0.484% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.619, support = 0.145, residual support = 0.0363:
          HG3   LYS+ 111 - HN    GLY  109   8.00 +/- 1.72  39.850% * 23.4601% (0.70   0.11   0.02) =  66.741%  kept
          HG2   LYS+  74 - HN    GLY  109  19.12 +/- 2.88   3.689% * 57.7914% (0.46   0.41   0.13) =  15.219%  kept
          HG12  ILE   89 - HN    GLY  109  10.41 +/- 3.13  28.476% *  4.5369% (0.73   0.02   0.02) =   9.223%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.19 +/- 1.82  18.210% *  5.5722% (0.15   0.12   0.02) =   7.244%  kept
          HG    LEU   71 - HN    GLY  109  23.39 +/- 4.34   3.484% *  3.0412% (0.49   0.02   0.02) =   0.756%  kept
          HG3   LYS+  99 - HN    GLY  109  21.64 +/- 0.91   2.122% *  2.6616% (0.43   0.02   0.02) =   0.403%  kept
          HB3   LEU   71 - HN    GLY  109  23.19 +/- 3.68   2.616% *  1.1722% (0.19   0.02   0.02) =   0.219%  kept
          HG13  ILE   19 - HN    GLY  109  24.45 +/- 3.38   1.553% *  1.7644% (0.28   0.02   0.02) =   0.196%  kept
    Distance limit 4.67 A violated in 13 structures by 2.27 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.3:
          QG1   VAL  108 - HN    GLY  109   2.60 +/- 0.33  98.304% * 98.9380% (0.65   3.09   7.30) =  99.994%  kept
          QD1   LEU   40 - HN    GLY  109  16.49 +/- 1.98   0.488% *  0.5069% (0.52   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    GLY  109  16.64 +/- 3.31   0.689% *  0.2517% (0.26   0.02   0.02) =   0.002%
          QD2   LEU   67 - HN    GLY  109  17.52 +/- 2.76   0.519% *  0.3034% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.09 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 = 6.43:
      O   HA2   GLY  109 - HN    ALA  110   2.63 +/- 0.34  96.305% * 99.3336% (0.57  10.0   2.20   6.43) =  99.994%  kept
          HA    THR  118 - HN    ALA  110  12.47 +/- 1.84   1.154% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  14.62 +/- 1.91   0.768% *  0.1693% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  110  18.26 +/- 3.52   0.692% *  0.1620% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    ALA  110  16.42 +/- 2.83   0.681% *  0.1341% (0.76   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  19.21 +/- 3.08   0.401% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.621, support = 0.02, residual support = 0.02:
          HB3   PRO   52 - HN    ALA  110  12.76 +/- 5.44  14.510% * 13.7167% (0.98   0.02   0.02) =  33.807%  kept
          HG2   PRO   93 - HN    ALA  110   8.91 +/- 4.75  29.605% *  3.1155% (0.22   0.02   0.02) =  15.667%  kept
          QB    LYS+ 106 - HN    ALA  110   9.83 +/- 0.97  17.776% *  2.7693% (0.20   0.02   0.02) =   8.362%  kept
          HG    LEU  123 - HN    ALA  110  18.65 +/- 2.04   2.718% * 13.7167% (0.98   0.02   0.02) =   6.332%  kept
          HG2   ARG+  54 - HN    ALA  110  17.07 +/- 4.69   5.050% *  6.8115% (0.49   0.02   0.02) =   5.842%  kept
          HG12  ILE  103 - HN    ALA  110  17.71 +/- 1.29   2.980% * 11.2053% (0.80   0.02   0.02) =   5.671%  kept
          HB3   ASP- 105 - HN    ALA  110  14.59 +/- 1.45   5.279% *  6.2738% (0.45   0.02   0.02) =   5.626%  kept
          HB3   GLN   90 - HN    ALA  110  13.36 +/- 2.78   8.443% *  3.8908% (0.28   0.02   0.02) =   5.580%  kept
          HB    ILE  103 - HN    ALA  110  17.58 +/- 1.22   3.276% *  7.3624% (0.53   0.02   0.02) =   4.096%  kept
          QB    LYS+  81 - HN    ALA  110  18.38 +/- 3.42   5.203% *  3.1155% (0.22   0.02   0.02) =   2.754%  kept
          HB    VAL   41 - HN    ALA  110  21.67 +/- 2.75   1.442% *  9.0526% (0.65   0.02   0.02) =   2.217%  kept
          QB    LYS+  66 - HN    ALA  110  19.45 +/- 2.84   1.953% *  6.2738% (0.45   0.02   0.02) =   2.082%  kept
          HG3   PRO   68 - HN    ALA  110  24.65 +/- 3.39   0.998% *  7.9226% (0.57   0.02   0.02) =   1.344%  kept
          QB    LYS+  33 - HN    ALA  110  27.07 +/- 3.55   0.767% *  4.7734% (0.34   0.02   0.02) =   0.622%  kept
    Distance limit 4.43 A violated in 12 structures by 2.08 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.57 +/- 0.35  89.605% * 98.9553% (0.69  10.0   2.12   9.58) =  99.992%  kept
          HB3   LEU  115 - HN    ALA  110   8.57 +/- 2.31   7.946% *  0.0592% (0.41   1.0   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    ALA  110  15.49 +/- 1.96   0.605% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA  110  19.64 +/- 2.58   0.283% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  22.01 +/- 3.61   0.231% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  22.48 +/- 4.17   0.227% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  22.25 +/- 2.97   0.187% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  23.46 +/- 1.52   0.135% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  21.70 +/- 2.83   0.209% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  22.04 +/- 3.73   0.226% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  26.60 +/- 3.85   0.105% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  21.10 +/- 3.08   0.241% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.997, support = 7.05, residual support = 315.2:
      O   HB2   LYS+ 111 - HN    LYS+ 111   2.97 +/- 0.73  61.453% * 99.3619% (1.00  10.0   7.06 315.33) =  99.967%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.00 +/- 0.91  35.984% *  0.0524% (0.53   1.0   0.02   1.64) =   0.031%
          HB    ILE  119 - HN    LYS+ 111  12.22 +/- 1.18   1.323% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+ 111  24.90 +/- 3.05   0.143% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  27.86 +/- 3.41   0.122% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  30.67 +/- 4.08   0.134% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  28.31 +/- 2.77   0.114% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  26.57 +/- 2.95   0.148% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  25.86 +/- 3.19   0.163% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  23.89 +/- 3.30   0.161% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  27.34 +/- 2.36   0.117% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  26.20 +/- 2.80   0.139% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.3:
      O   HB3   LYS+ 111 - HN    LYS+ 111   3.08 +/- 0.46  95.604% * 99.4649% (0.92  10.0   5.51 315.33) =  99.997%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  14.68 +/- 1.48   1.015% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.62 +/- 2.12   1.160% *  0.0443% (0.41   1.0   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    LYS+ 111  19.89 +/- 2.54   0.413% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  21.78 +/- 3.53   0.427% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  19.89 +/- 2.93   0.439% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  20.87 +/- 2.53   0.401% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  23.80 +/- 3.20   0.412% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  29.34 +/- 3.36   0.130% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.914, support = 6.52, residual support = 311.6:
          HG3   LYS+ 111 - HN    LYS+ 111   3.41 +/- 0.25  88.197% * 86.9402% (0.92   6.55 315.33) =  98.692%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.16 +/- 1.26   8.350% * 12.0792% (0.20   4.24  28.73) =   1.298%  kept
          HG12  ILE   89 - HN    LYS+ 111  14.65 +/- 2.65   1.737% *  0.2776% (0.97   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HN    LYS+ 111  21.26 +/- 3.01   0.490% *  0.1745% (0.61   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    LYS+ 111  25.37 +/- 4.34   0.376% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  23.98 +/- 2.23   0.297% *  0.1628% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  26.62 +/- 3.66   0.257% *  0.1080% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  25.27 +/- 3.76   0.297% *  0.0717% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.732, support = 0.02, residual support = 0.02:
          QD1   ILE   56 - HN    LYS+ 111   9.32 +/- 3.64  50.050% * 26.3685% (0.76   0.02   0.02) =  57.599%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  15.83 +/- 2.15  14.625% * 33.2982% (0.97   0.02   0.02) =  21.254%  kept
          QD2   LEU   73 - HN    LYS+ 111  18.16 +/- 2.77  13.691% * 16.7946% (0.49   0.02   0.02) =  10.035%  kept
          QD2   LEU  123 - HN    LYS+ 111  15.71 +/- 1.05  17.461% * 11.7694% (0.34   0.02   0.02) =   8.969%  kept
          HG    LEU   31 - HN    LYS+ 111  25.59 +/- 2.55   4.172% * 11.7694% (0.34   0.02   0.02) =   2.143%  kept
    Distance limit 3.90 A violated in 16 structures by 4.72 A, eliminated.
    Peak unassigned.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.76, residual support = 237.9:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.76 +/- 0.07  97.705% * 99.8622% (0.87  10.0   5.76 237.95) =  99.999%  kept
          HB    THR   46 - HN    LYS+ 112  14.45 +/- 3.25   1.639% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.81 +/- 1.00   0.376% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.15 +/- 5.00   0.280% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.866, support = 7.01, residual support = 28.7:
          HB2   LYS+ 111 - HN    LYS+ 112   3.53 +/- 0.46  67.335% * 97.3168% (0.87   7.03  28.73) =  99.764%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.41 +/- 0.49  22.830% *  0.6255% (0.28   0.14   3.71) =   0.217%  kept
          HB    ILE  119 - HN    LYS+ 112  11.34 +/- 1.34   2.763% *  0.1554% (0.49   0.02   0.02) =   0.007%
          HB    VAL  108 - HN    LYS+ 112  11.19 +/- 1.35   2.771% *  0.0887% (0.28   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    LYS+ 112  13.28 +/- 3.41   2.387% *  0.0711% (0.22   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    LYS+ 112  23.24 +/- 3.60   0.296% *  0.3192% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    LYS+ 112  26.40 +/- 3.53   0.202% *  0.2556% (0.80   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  26.14 +/- 2.94   0.186% *  0.2556% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  27.26 +/- 2.67   0.167% *  0.2556% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  25.84 +/- 2.79   0.190% *  0.1554% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  27.79 +/- 2.42   0.162% *  0.1807% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  30.49 +/- 3.85   0.131% *  0.1936% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  22.25 +/- 3.82   0.360% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  25.00 +/- 3.25   0.220% *  0.0711% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 237.9:
      O   HB2   LYS+ 112 - HN    LYS+ 112   3.13 +/- 0.46  75.558% * 98.9690% (0.76  10.0   5.73 237.95) =  99.988%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.47 +/- 3.85  18.153% *  0.0200% (0.15   1.0   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    LYS+ 112  14.96 +/- 2.30   1.729% *  0.0838% (0.65   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LYS+ 112  18.87 +/- 3.05   0.627% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+ 112  17.92 +/- 2.31   0.580% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  21.67 +/- 4.02   0.532% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  18.70 +/- 1.84   0.457% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+ 112  16.66 +/- 1.87   0.704% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  21.50 +/- 4.43   0.777% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.24 +/- 2.69   0.209% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  21.33 +/- 3.38   0.418% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  29.35 +/- 3.33   0.133% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  29.99 +/- 4.17   0.125% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.873, support = 6.04, residual support = 237.9:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.38 +/- 0.54  67.300% * 84.2144% (0.90  10.0   5.99 237.95) =  94.156%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.52 +/- 0.95  22.545% * 15.5900% (0.49   1.0   6.82 237.95) =   5.839%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.79 +/- 2.02   8.768% *  0.0186% (0.20   1.0   0.02   0.02) =   0.003%
          QG2   THR   94 - HN    LYS+ 112  10.51 +/- 1.57   1.115% *  0.0815% (0.87   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  18.80 +/- 2.04   0.189% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.35 +/- 3.49   0.083% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 237.7:
          HG2   LYS+ 112 - HN    LYS+ 112   3.86 +/- 0.61  88.514% * 98.1782% (0.34   6.24 237.95) =  99.914%  kept
          QB    ALA   47 - HN    LYS+ 112  11.36 +/- 2.09   5.318% *  0.7389% (0.80   0.02   0.02) =   0.045%
          QG1   VAL   42 - HN    LYS+ 112  13.22 +/- 1.79   4.177% *  0.6338% (0.69   0.02   0.02) =   0.030%
          QB    ALA   64 - HN    LYS+ 112  15.19 +/- 1.86   1.990% *  0.4491% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.31 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 = 0.763, support = 0.955, residual support = 5.19:
          QD1   ILE   56 - HN    LYS+ 112   7.53 +/- 3.35  55.925% * 94.5324% (0.76   0.97   5.24) =  98.883%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.42 +/- 1.55   9.958% *  2.4726% (0.97   0.02   0.02) =   0.461%  kept
          QD2   LEU   73 - HN    LYS+ 112  17.61 +/- 2.92  14.104% *  1.2471% (0.49   0.02   0.02) =   0.329%  kept
          QD2   LEU  123 - HN    LYS+ 112  15.03 +/- 1.46  14.754% *  0.8740% (0.34   0.02   0.02) =   0.241%  kept
          HG    LEU   31 - HN    LYS+ 112  25.46 +/- 2.52   5.260% *  0.8740% (0.34   0.02   0.02) =   0.086%
    Distance limit 4.05 A violated in 12 structures by 3.16 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 237.9:
          HG3   LYS+ 112 - HN    LYS+ 112   3.45 +/- 0.26  88.234% * 99.2150% (0.87   5.92 237.95) =  99.985%  kept
          QG2   VAL  108 - HN    LYS+ 112   9.76 +/- 1.55   9.908% *  0.0596% (0.15   0.02   0.02) =   0.007%
          HG    LEU   63 - HN    LYS+ 112  15.94 +/- 2.73   1.434% *  0.3788% (0.98   0.02   0.02) =   0.006%
          QG2   VAL   24 - HN    LYS+ 112  22.26 +/- 3.12   0.425% *  0.3466% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.22, residual support = 16.2:
      O   HA    LYS+ 112 - HN    ASP- 113   3.54 +/- 0.05  96.323% * 99.8622% (0.74  10.0   5.22  16.17) =  99.998%  kept
          HB    THR   46 - HN    ASP- 113  15.73 +/- 3.03   1.908% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    ASP- 113  16.74 +/- 0.86   0.944% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  26.93 +/- 5.55   0.825% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 3.47, residual support = 14.4:
      O   QB    ASP- 113 - HN    ASP- 113   2.16 +/- 0.16 100.000% *100.0000% (0.82  10.0   3.47  14.41) = 100.000%  kept
    Distance limit 3.19 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 = 0.264, support = 3.15, residual support = 25.0:
          QG    GLU- 114 - HN    ASP- 113   4.72 +/- 0.55  69.160% * 94.1257% (0.26   3.16  25.15) =  99.496%  kept
          HG2   PRO   52 - HN    ASP- 113  12.57 +/- 4.29  15.066% *  1.4728% (0.65   0.02   0.02) =   0.339%  kept
          HB2   GLU-  79 - HN    ASP- 113  21.87 +/- 4.96   5.410% *  0.7233% (0.32   0.02   0.02) =   0.060%
          HB2   PRO   58 - HN    ASP- 113  13.99 +/- 1.65   3.395% *  0.9381% (0.41   0.02   0.02) =   0.049%
          HG2   MET   92 - HN    ASP- 113  13.49 +/- 3.65   6.448% *  0.4806% (0.21   0.02   0.02) =   0.047%
          HG3   GLU-  25 - HN    ASP- 113  32.86 +/- 4.74   0.285% *  1.7790% (0.79   0.02   0.02) =   0.008%
          HG3   GLU-  36 - HN    ASP- 113  33.31 +/- 4.43   0.237% *  0.4806% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.16 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.735, support = 2.47, residual support = 9.83:
          HB2   LYS+ 111 - HN    ASP- 113   3.64 +/- 0.56  62.174% * 54.7968% (0.85   2.18   3.70) =  71.386%  kept
          QB    GLU- 114 - HN    ASP- 113   4.64 +/- 0.28  32.304% * 42.2414% (0.45   3.19  25.15) =  28.592%  kept
          HB    ILE  119 - HN    ASP- 113   9.99 +/- 0.94   3.534% *  0.1256% (0.21   0.02   0.02) =   0.009%
          HB3   PRO   68 - HN    ASP- 113  23.09 +/- 3.53   0.282% *  0.4516% (0.76   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASP- 113  26.60 +/- 3.33   0.185% *  0.4936% (0.84   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ASP- 113  31.25 +/- 4.49   0.207% *  0.4368% (0.74   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    ASP- 113  27.34 +/- 2.71   0.170% *  0.4936% (0.84   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    ASP- 113  22.05 +/- 3.89   0.341% *  0.1890% (0.32   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASP- 113  25.39 +/- 3.50   0.254% *  0.2258% (0.38   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP- 113  26.53 +/- 3.24   0.196% *  0.2649% (0.45   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  27.88 +/- 2.29   0.158% *  0.1554% (0.26   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  26.22 +/- 3.05   0.194% *  0.1256% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.64 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 = 6.03, residual support = 16.2:
          HB2   LYS+ 112 - HN    ASP- 113   3.64 +/- 0.39  81.778% * 96.6615% (0.65   6.03  16.17) =  99.964%  kept
          HB3   PRO   93 - HN    ASP- 113  10.68 +/- 3.41  10.016% *  0.0647% (0.13   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - HN    ASP- 113  15.21 +/- 2.16   1.932% *  0.2713% (0.55   0.02   0.02) =   0.007%
          HB    VAL   42 - HN    ASP- 113  18.08 +/- 2.39   0.810% *  0.3871% (0.79   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ASP- 113  19.32 +/- 2.66   0.712% *  0.3871% (0.79   0.02   0.02) =   0.003%
          HB3   LEU   73 - HN    ASP- 113  22.35 +/- 4.25   0.704% *  0.3638% (0.74   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ASP- 113  15.62 +/- 2.19   1.488% *  0.1574% (0.32   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  18.96 +/- 1.86   0.673% *  0.2881% (0.59   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    ASP- 113  25.31 +/- 2.53   0.297% *  0.3503% (0.71   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ASP- 113  22.02 +/- 3.48   0.565% *  0.1724% (0.35   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  29.56 +/- 3.42   0.187% *  0.4047% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  22.76 +/- 4.34   0.667% *  0.1046% (0.21   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ASP- 113  30.34 +/- 3.88   0.170% *  0.3871% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.19 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.689, support = 4.93, residual support = 16.0:
          HB3   LYS+ 112 - HN    ASP- 113   3.54 +/- 0.37  55.115% * 59.6744% (0.76   4.79  16.17) =  78.857%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.40 +/- 0.90  22.241% * 38.1473% (0.41   5.65  16.17) =  20.343%  kept
          QG2   VAL  107 - HN    ASP- 113   6.90 +/- 2.00  19.777% *  1.6549% (0.17   0.60   0.02) =   0.785%  kept
          QG2   THR   94 - HN    ASP- 113  11.26 +/- 2.11   2.252% *  0.2408% (0.74   0.02   0.02) =   0.013%
          HG13  ILE  103 - HN    ASP- 113  19.12 +/- 2.01   0.376% *  0.1684% (0.52   0.02   0.02) =   0.002%
          HB3   LEU   71 - HN    ASP- 113  24.43 +/- 3.83   0.239% *  0.1141% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 25.1:
      O   HA    ASP- 113 - HN    GLU- 114   3.57 +/- 0.04  91.526% * 99.6702% (1.00  10.0   3.65  25.15) =  99.995%  kept
          HA    ILE   56 - HN    GLU- 114  11.73 +/- 2.10   3.348% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    GLU- 114  11.82 +/- 0.90   2.686% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU- 114  16.35 +/- 0.53   0.963% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  21.71 +/- 1.44   0.428% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  18.65 +/- 2.48   0.854% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.47 +/- 2.46   0.195% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 3.65, residual support = 25.2:
          QB    ASP- 113 - HN    GLU- 114   2.80 +/- 0.25  98.767% * 99.8738% (0.97   3.65  25.15) =  99.998%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.88 +/- 1.88   1.233% *  0.1262% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.55 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 = 4.45, residual support = 44.1:
          QG    GLU- 114 - HN    GLU- 114   2.67 +/- 0.48  94.308% * 97.7537% (0.84   4.45  44.10) =  99.971%  kept
          HG2   PRO   52 - HN    GLU- 114  13.19 +/- 4.10   2.525% *  0.5153% (0.98   0.02   0.02) =   0.014%
          HG2   MET   92 - HN    GLU- 114  13.49 +/- 3.48   1.796% *  0.4018% (0.76   0.02   0.02) =   0.008%
          HB2   GLU-  79 - HN    GLU- 114  21.67 +/- 4.41   1.219% *  0.4715% (0.90   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    GLU- 114  31.97 +/- 4.73   0.082% *  0.4560% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  31.93 +/- 4.07   0.070% *  0.4018% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.839, support = 4.2, residual support = 41.3:
      O   QB    GLU- 114 - HN    GLU- 114   2.28 +/- 0.22  71.613% * 84.2343% (0.84  10.0   4.25  44.10) =  93.437%  kept
          HB2   LYS+ 111 - HN    GLU- 114   4.13 +/- 1.31  27.797% * 15.2414% (0.90   1.0   3.37   1.64) =   6.562%  kept
          HB3   GLU-  25 - HN    GLU- 114  30.40 +/- 4.55   0.082% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU- 114  21.38 +/- 3.51   0.114% *  0.0693% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  24.57 +/- 3.41   0.099% *  0.0771% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.49 +/- 3.17   0.097% *  0.0612% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  26.08 +/- 3.07   0.062% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  26.56 +/- 2.64   0.058% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.46 +/- 3.16   0.079% *  0.0251% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.921, support = 0.903, residual support = 1.64:
          HB3   LYS+ 111 - HN    GLU- 114   4.24 +/- 0.65  81.033% * 89.3832% (0.92   0.91   1.64) =  99.627%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.84 +/- 1.20   4.543% *  2.0954% (0.98   0.02   0.02) =   0.131%  kept
          HD2   LYS+ 121 - HN    GLU- 114  12.83 +/- 1.89   5.396% *  0.8789% (0.41   0.02   0.02) =   0.065%
          HD3   LYS+  74 - HN    GLU- 114  20.89 +/- 3.65   2.159% *  1.9172% (0.90   0.02   0.02) =   0.057%
          QD    LYS+  66 - HN    GLU- 114  17.90 +/- 2.78   2.326% *  1.7118% (0.80   0.02   0.02) =   0.055%
          HG    LEU  104 - HN    GLU- 114  18.61 +/- 1.79   1.237% *  2.0954% (0.98   0.02   0.02) =   0.036%
          HG2   LYS+  65 - HN    GLU- 114  19.28 +/- 2.38   1.280% *  0.7292% (0.34   0.02   0.02) =   0.013%
          QG2   THR   26 - HN    GLU- 114  23.10 +/- 3.56   1.561% *  0.5944% (0.28   0.02   0.02) =   0.013%
          HG2   LYS+  33 - HN    GLU- 114  27.93 +/- 3.34   0.463% *  0.5944% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.24 A violated in 0 structures by 0.30 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 2.6, residual support = 3.89:
          HD3   LYS+ 112 - HN    GLU- 114   5.80 +/- 1.05  40.956% * 63.1998% (0.98   3.12   3.71) =  62.803%  kept
          QG1   VAL  107 - HN    GLU- 114   5.24 +/- 0.77  48.804% * 30.3447% (0.84   1.76   4.33) =  35.933%  kept
          HG13  ILE  119 - HN    GLU- 114   9.68 +/- 1.39   8.814% *  5.8569% (0.41   0.69   0.02) =   1.253%  kept
          QG1   VAL   24 - HN    GLU- 114  22.45 +/- 4.14   0.991% *  0.4133% (1.00   0.02   0.02) =   0.010%
          HB3   LEU   31 - HN    GLU- 114  25.28 +/- 2.21   0.435% *  0.1853% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.87 A violated in 0 structures by 0.06 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   3.29 +/- 0.51  97.055% * 99.4046% (0.57  10.0   3.86  14.93) =  99.997%  kept
          HA    GLN   30 - HN    GLY  101  15.60 +/- 4.16   1.632% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLY  101  21.20 +/- 5.65   0.634% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  26.18 +/- 2.37   0.238% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.96 +/- 2.93   0.266% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.73 +/- 2.79   0.175% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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   2.71 +/- 0.27  94.570% * 99.9154% (0.53  10.0   2.86  15.43) =  99.998%  kept
          HB2   TRP   27 - HN    GLY  101  17.22 +/- 4.93   5.242% *  0.0423% (0.22   1.0   0.02   0.02) =   0.002%
          HD2   PRO   93 - HN    GLY  101  24.20 +/- 2.42   0.189% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.37, residual support = 75.5:
      O   HA    GLU- 100 - HN    GLU- 100   2.27 +/- 0.12  98.622% * 99.4046% (0.57  10.0   6.37  75.52) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  13.67 +/- 3.92   0.956% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLU- 100  21.09 +/- 4.41   0.175% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  24.91 +/- 2.10   0.088% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.60 +/- 2.84   0.101% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  28.70 +/- 2.54   0.057% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.26, residual support = 75.4:
          HG3   GLU- 100 - HN    GLU- 100   3.46 +/- 0.67  75.064% * 97.4172% (0.69   4.26  75.52) =  99.808%  kept
          HB    VAL   24 - HN    GLU- 100  18.27 +/- 5.63  11.833% *  0.6292% (0.95   0.02   0.02) =   0.102%  kept
          QB    GLN   32 - HN    GLU- 100  12.74 +/- 3.99   8.061% *  0.6520% (0.98   0.02   0.02) =   0.072%
          HB2   PRO   68 - HN    GLU- 100  17.25 +/- 5.52   1.204% *  0.6520% (0.98   0.02   0.02) =   0.011%
          HB2   GLU-  14 - HN    GLU- 100  19.20 +/- 5.88   2.951% *  0.1481% (0.22   0.02   0.02) =   0.006%
          HG2   MET   11 - HN    GLU- 100  24.36 +/- 6.04   0.439% *  0.1316% (0.20   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  24.02 +/- 3.27   0.277% *  0.1849% (0.28   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  28.14 +/- 2.72   0.171% *  0.1849% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 5.58, residual support = 39.1:
          HB2   LYS+  99 - HN    GLU- 100   4.30 +/- 0.29  85.344% * 99.1205% (0.73   5.58  39.15) =  99.938%  kept
          QD    LYS+  81 - HN    GLU- 100  24.33 +/- 4.93   9.542% *  0.3740% (0.76   0.02   0.02) =   0.042%
          HB    VAL   43 - HN    GLU- 100  12.87 +/- 1.75   3.921% *  0.4087% (0.84   0.02   0.02) =   0.019%
          HB    ILE   89 - HN    GLU- 100  19.62 +/- 2.81   1.193% *  0.0968% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.35, residual support = 39.1:
          HG2   LYS+  99 - HN    GLU- 100   2.99 +/- 0.51  73.164% * 98.3869% (0.90   6.36  39.15) =  99.912%  kept
          HB2   LEU   31 - HN    GLU- 100  11.77 +/- 4.44  15.376% *  0.1954% (0.57   0.02   0.02) =   0.042%
          HG2   LYS+  38 - HN    GLU- 100  10.25 +/- 6.45   8.183% *  0.3331% (0.97   0.02   0.02) =   0.038%
          QB    ALA   88 - HN    GLU- 100  17.38 +/- 3.15   0.747% *  0.3265% (0.95   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    GLU- 100  17.55 +/- 1.67   0.650% *  0.2094% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    GLU- 100  22.06 +/- 4.49   0.505% *  0.1419% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLU- 100  18.05 +/- 3.54   0.609% *  0.1065% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  16.43 +/- 1.54   0.582% *  0.0769% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  26.24 +/- 3.26   0.184% *  0.2233% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.81, residual support = 174.6:
      O   HB2   LYS+  99 - HN    LYS+  99   3.20 +/- 0.34  81.261% * 99.7262% (0.99  10.0   4.81 174.58) =  99.990%  kept
          HB3   GLN   17 - HN    LYS+  99  18.98 +/- 4.60   6.022% *  0.0570% (0.57   1.0   0.02   0.02) =   0.004%
          HB    VAL   43 - HN    LYS+  99  11.05 +/- 1.64   2.539% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    LYS+  99  22.69 +/- 4.63   1.862% *  0.0986% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    GLN   30  15.66 +/- 3.69   4.055% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  13.24 +/- 2.97   1.596% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  13.82 +/- 2.49   2.208% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  21.27 +/- 5.41   0.457% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.96, residual support = 18.3:
          QB    LEU   98 - HN    LYS+  99   3.07 +/- 0.40  64.804% * 93.7334% (0.57   3.96  18.27) =  99.899%  kept
          HD3   LYS+ 121 - HN    LYS+  99  14.44 +/- 7.01   2.772% *  0.7254% (0.87   0.02   0.02) =   0.033%
          QB    ALA   61 - HN    LYS+  99  15.21 +/- 3.29   1.611% *  0.5072% (0.61   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    LYS+  99  16.46 +/- 4.20   1.026% *  0.7500% (0.90   0.02   0.02) =   0.013%
          HB2   LEU   80 - HN    LYS+  99  20.44 +/- 4.45   0.499% *  0.8071% (0.97   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    LYS+  99  16.07 +/- 3.99   0.775% *  0.3749% (0.45   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    LYS+  99  17.76 +/- 1.97   0.388% *  0.6985% (0.84   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    LYS+  99  21.26 +/- 5.09   0.400% *  0.6697% (0.80   0.02   0.02) =   0.004%
          QB    ALA  110 - HN    LYS+  99  18.37 +/- 1.81   0.375% *  0.6985% (0.84   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    GLN   30   8.79 +/- 1.43   3.598% *  0.0493% (0.06   0.02  14.05) =   0.003%
          HG    LEU   73 - HN    LYS+  99  14.11 +/- 3.68   1.198% *  0.1290% (0.15   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LYS+  99  17.98 +/- 3.49   0.637% *  0.2325% (0.28   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LYS+  99  21.02 +/- 4.19   0.430% *  0.2581% (0.31   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN   30   7.36 +/- 2.69  10.514% *  0.0085% (0.01   0.02   5.87) =   0.001%
          HG    LEU   80 - HN    GLN   30  17.90 +/- 8.34   1.732% *  0.0440% (0.05   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.37 +/- 3.47   2.131% *  0.0311% (0.04   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  12.08 +/- 1.13   1.352% *  0.0459% (0.05   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    GLN   30  17.70 +/- 6.82   1.114% *  0.0530% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  14.69 +/- 1.93   1.176% *  0.0333% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  13.65 +/- 3.68   1.426% *  0.0170% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  17.92 +/- 2.81   0.970% *  0.0153% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  21.86 +/- 4.40   0.310% *  0.0477% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.08 +/- 2.00   0.588% *  0.0246% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  23.89 +/- 3.17   0.174% *  0.0459% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.751, support = 3.6, residual support = 18.5:
          QD2   LEU  104 - HN    LYS+  99   2.99 +/- 0.96  49.128% * 49.9315% (0.80   3.41  18.65) =  57.253%  kept
          QD1   LEU   98 - HN    LYS+  99   3.90 +/- 0.96  37.521% * 48.6350% (0.69   3.87  18.27) =  42.591%  kept
          QD1   ILE   19 - HN    GLN   30   6.75 +/- 1.01   6.596% *  0.9540% (0.04   1.23  14.05) =   0.147%  kept
          QD1   ILE   19 - HN    LYS+  99  14.04 +/- 3.36   0.849% *  0.2367% (0.65   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    LYS+  99  14.60 +/- 2.57   0.512% *  0.0814% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    GLN   30  14.33 +/- 3.57   2.147% *  0.0192% (0.05   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+  99  16.43 +/- 1.43   0.301% *  0.1129% (0.31   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  12.21 +/- 3.55   1.477% *  0.0165% (0.05   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    GLN   30  10.76 +/- 1.41   1.105% *  0.0054% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  15.76 +/- 2.35   0.364% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.849, support = 4.26, residual support = 18.3:
          QD1   LEU  104 - HN    LYS+  99   3.73 +/- 0.56  42.767% * 93.3896% (0.87   4.31  18.65) =  97.782%  kept
          QD1   LEU   73 - HN    GLN   30   5.43 +/- 2.71  23.271% *  3.4542% (0.06   2.43   5.87) =   1.968%  kept
          QD1   LEU  104 - HN    GLN   30  13.65 +/- 4.04   7.267% *  0.8361% (0.06   0.59   0.02) =   0.149%  kept
          QD1   LEU   73 - HN    LYS+  99  12.17 +/- 3.03   2.835% *  0.4332% (0.87   0.02   0.02) =   0.030%
          QD1   LEU   63 - HN    LYS+  99  13.74 +/- 3.56   2.025% *  0.4332% (0.87   0.02   0.02) =   0.021%
          QD2   LEU   63 - HN    LYS+  99  12.89 +/- 3.98   6.190% *  0.1388% (0.28   0.02   0.02) =   0.021%
          QD2   LEU  115 - HN    LYS+  99  15.50 +/- 0.88   0.701% *  0.4983% (1.00   0.02   0.02) =   0.009%
          QD2   LEU   80 - HN    LYS+  99  18.21 +/- 4.21   0.605% *  0.4950% (0.99   0.02   0.02) =   0.007%
          QG1   VAL   83 - HN    LYS+  99  15.53 +/- 3.83   1.032% *  0.2053% (0.41   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    GLN   30  14.75 +/- 7.25   4.216% *  0.0325% (0.07   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    GLN   30  15.01 +/- 3.14   3.364% *  0.0285% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    GLN   30  13.77 +/- 5.96   2.592% *  0.0135% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  14.55 +/- 2.59   2.699% *  0.0091% (0.02   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  19.39 +/- 2.25   0.436% *  0.0327% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 3.96, residual support = 10.7:
          HB3   PHE   97 - HN    LEU   98   3.89 +/- 0.46  84.934% * 97.5019% (0.65   3.96  10.67) =  99.894%  kept
          HB2   GLU- 100 - HN    LEU   98   9.21 +/- 0.63   7.491% *  0.6827% (0.90   0.02   0.02) =   0.062%
          QG    GLU-  79 - HN    LEU   98  16.04 +/- 2.79   2.844% *  0.6358% (0.84   0.02   0.02) =   0.022%
          QG    GLN   32 - HN    LEU   98  15.09 +/- 2.75   2.083% *  0.4005% (0.53   0.02   0.02) =   0.010%
          HB2   GLN  116 - HN    LEU   98  17.59 +/- 1.79   1.325% *  0.6096% (0.80   0.02   0.02) =   0.010%
          HB2   PRO   58 - HN    LEU   98  18.11 +/- 3.27   1.323% *  0.1695% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.696, support = 3.49, residual support = 26.6:
          HG12  ILE  103 - HN    LEU   98   4.94 +/- 0.66  27.661% * 37.3298% (0.80   3.44  31.91) =  45.686%  kept
          HB    VAL   41 - HN    LEU   98   5.92 +/- 2.81  26.209% * 35.6159% (0.65   4.06  22.02) =  41.301%  kept
          HB    ILE  103 - HN    LEU   98   6.83 +/- 1.11  12.769% * 14.7603% (0.53   2.07  31.91) =   8.339%  kept
          HB3   ASP- 105 - HN    LEU   98   6.90 +/- 0.74   9.645% *  9.7813% (0.45   1.61   6.10) =   4.174%  kept
          QB    LYS+ 106 - HN    LEU   98   7.65 +/- 0.79   7.643% *  1.2861% (0.20   0.48   0.02) =   0.435%  kept
          QB    LYS+  81 - HN    LEU   98  18.81 +/- 4.19   8.704% *  0.0603% (0.22   0.02   0.02) =   0.023%
          HG    LEU  123 - HN    LEU   98  18.32 +/- 4.16   0.768% *  0.2656% (0.98   0.02   0.02) =   0.009%
          HG3   PRO   68 - HN    LEU   98  15.58 +/- 4.29   1.276% *  0.1534% (0.57   0.02   0.02) =   0.009%
          QB    LYS+  66 - HN    LEU   98  14.46 +/- 3.41   1.561% *  0.1215% (0.45   0.02   0.02) =   0.008%
          QB    LYS+  33 - HN    LEU   98  13.71 +/- 2.65   1.580% *  0.0924% (0.34   0.02   0.02) =   0.006%
          HB3   PRO   52 - HN    LEU   98  21.86 +/- 2.56   0.311% *  0.2656% (0.98   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    LEU   98  17.95 +/- 2.51   0.721% *  0.0754% (0.28   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   98  22.47 +/- 3.57   0.387% *  0.1319% (0.49   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  16.62 +/- 1.68   0.767% *  0.0603% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.14 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.831, support = 4.85, residual support = 76.6:
      O   QB    LEU   98 - HN    LEU   98   2.85 +/- 0.30  63.726% * 97.3110% (0.84  10.0   4.87  77.08) =  99.311%  kept
          HB    VAL   42 - HN    LEU   98   5.78 +/- 3.10  21.392% *  1.9625% (0.18   1.0   1.92   0.42) =   0.672%  kept
          HD3   LYS+ 121 - HN    LEU   98  12.41 +/- 6.10   3.893% *  0.1162% (1.00   1.0   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    LEU   98  12.06 +/- 3.09   4.876% *  0.0397% (0.34   1.0   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    LEU   98  14.29 +/- 2.15   0.793% *  0.1155% (0.99   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   98  14.08 +/- 4.12   1.214% *  0.0754% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  17.54 +/- 4.02   0.462% *  0.1142% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  12.87 +/- 3.61   1.452% *  0.0259% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  16.06 +/- 1.86   0.437% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  18.47 +/- 4.68   0.387% *  0.0613% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.11 +/- 3.41   0.250% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  14.46 +/- 2.92   0.618% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  15.91 +/- 2.53   0.500% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.937, support = 4.1, residual support = 13.2:
          QD2   LEU   40 - HN    LEU   98   4.84 +/- 3.60  41.681% * 68.5147% (0.97   4.57   9.06) =  81.766%  kept
          QG2   ILE  103 - HN    LEU   98   5.04 +/- 0.67  20.931% * 27.8818% (0.87   2.07  31.91) =  16.710%  kept
          QD1   ILE  103 - HN    LEU   98   5.67 +/- 0.99  17.826% *  2.7604% (0.20   0.90  31.91) =   1.409%  kept
          QD1   LEU   67 - HN    LEU   98   9.84 +/- 3.35   9.664% *  0.2938% (0.95   0.02   0.02) =   0.081%
          QD2   LEU   71 - HN    LEU   98  10.12 +/- 2.89   7.595% *  0.0864% (0.28   0.02   0.02) =   0.019%
          HB    VAL   75 - HN    LEU   98  11.21 +/- 1.17   1.608% *  0.2255% (0.73   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HN    LEU   98  15.45 +/- 2.01   0.696% *  0.2374% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.28 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 = 0.593, support = 3.36, residual support = 46.0:
          QD1   LEU   98 - HN    LEU   98   3.81 +/- 0.76  32.739% * 44.6998% (0.38   4.75  77.08) =  51.805%  kept
          QD2   LEU  104 - HN    LEU   98   4.35 +/- 0.99  25.407% * 42.9584% (0.99   1.73  10.64) =  38.639%  kept
          QG1   VAL   41 - HN    LEU   98   5.58 +/- 2.76  24.968% * 10.1666% (0.15   2.63  22.02) =   8.986%  kept
          QG1   VAL   43 - HN    LEU   98   5.58 +/- 1.13  12.371% *  1.1636% (0.28   0.17   0.02) =   0.510%  kept
          QD1   ILE   19 - HN    LEU   98  12.28 +/- 3.18   2.486% *  0.4631% (0.92   0.02   0.02) =   0.041%
          QG2   VAL   18 - HN    LEU   98  11.99 +/- 2.50   1.159% *  0.2442% (0.49   0.02   0.02) =   0.010%
          QG2   THR   46 - HN    LEU   98  13.11 +/- 1.31   0.870% *  0.3043% (0.61   0.02   0.02) =   0.009%
    Distance limit 4.22 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 = 0.243, support = 3.82, residual support = 38.6:
          QD2   LEU   98 - HN    LEU   98   3.62 +/- 0.82  34.310% * 25.7410% (0.15   4.68  77.08) =  37.617%  kept
          QD1   LEU  104 - HN    LEU   98   3.96 +/- 1.39  31.432% * 26.1413% (0.31   2.37  10.64) =  34.997%  kept
          QG2   VAL   41 - HN    LEU   98   5.60 +/- 2.20  13.927% * 45.3521% (0.28   4.57  22.02) =  26.902%  kept
          QD2   LEU   63 - HN    LEU   98   9.75 +/- 3.91  11.176% *  0.5961% (0.84   0.02   0.02) =   0.284%  kept
          QD1   LEU   73 - HN    LEU   98   9.88 +/- 2.77   3.272% *  0.6400% (0.90   0.02   0.02) =   0.089%
          QD1   LEU   63 - HN    LEU   98  10.49 +/- 3.53   2.558% *  0.6400% (0.90   0.02   0.02) =   0.070%
          QD2   LEU   80 - HN    LEU   98  15.90 +/- 3.80   1.205% *  0.3754% (0.53   0.02   0.02) =   0.019%
          QD2   LEU  115 - HN    LEU   98  12.49 +/- 0.83   0.938% *  0.4040% (0.57   0.02   0.02) =   0.016%
          QD1   LEU   80 - HN    LEU   98  16.11 +/- 4.09   1.183% *  0.1101% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.15 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 = 0.943, support = 4.79, residual support = 61.9:
      O   HB2   PHE   97 - HN    PHE   97   2.95 +/- 0.53  75.083% * 96.1220% (0.95  10.0   4.81  62.30) =  99.278%  kept
          QE    LYS+ 106 - HN    PHE   97   5.66 +/- 0.88  14.312% *  3.6312% (0.53   1.0   1.36  11.54) =   0.715%  kept
          HB3   TRP   27 - HN    PHE   97  14.78 +/- 3.49   2.344% *  0.0981% (0.97   1.0   0.02   0.02) =   0.003%
          QE    LYS+  99 - HN    PHE   97   9.49 +/- 0.76   2.995% *  0.0616% (0.61   1.0   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HN    PHE   97   9.86 +/- 1.24   3.184% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  13.76 +/- 2.73   1.442% *  0.0347% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  15.87 +/- 2.43   0.640% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.59, residual support = 44.2:
          HG2   MET   96 - HN    PHE   97   2.83 +/- 0.68  99.256% * 99.8228% (0.98   5.59  44.24) =  99.999%  kept
          HB2   PRO   52 - HN    PHE   97  18.99 +/- 3.08   0.744% *  0.1772% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.89 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 = 5.14, residual support = 61.9:
      O   HB3   PHE   97 - HN    PHE   97   3.22 +/- 0.57  84.928% * 93.7720% (0.34  10.0   5.16  62.30) =  99.274%  kept
          HB    VAL  107 - HN    PHE   97   7.01 +/- 0.72  10.582% *  5.4236% (0.28   1.0   1.42   5.41) =   0.715%  kept
          HB2   GLU- 100 - HN    PHE   97  12.52 +/- 0.79   1.728% *  0.1667% (0.61   1.0   0.02   0.02) =   0.004%
          QG    GLU-  79 - HN    PHE   97  15.88 +/- 2.37   0.933% *  0.2743% (1.00   1.0   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    PHE   97  17.83 +/- 2.90   0.771% *  0.2296% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.00 +/- 1.88   1.057% *  0.1338% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.32 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 = 0.664, support = 4.67, residual support = 52.5:
          HB2   ASP- 105 - HN    PHE   97   5.13 +/- 1.01  34.731% * 63.3105% (0.98   3.44  59.85) =  52.907%  kept
          HB2   MET   96 - HN    PHE   97   4.05 +/- 0.26  55.487% * 35.2372% (0.31   6.07  44.24) =  47.046%  kept
          HG2   GLU- 100 - HN    PHE   97  12.79 +/- 1.03   1.866% *  0.2874% (0.76   0.02   0.02) =   0.013%
          HG12  ILE  119 - HN    PHE   97  12.41 +/- 3.11   3.172% *  0.1546% (0.41   0.02   0.92) =   0.012%
          HB3   ASP-  76 - HN    PHE   97  16.10 +/- 1.66   1.039% *  0.3141% (0.84   0.02   0.02) =   0.008%
          HG3   MET   92 - HN    PHE   97  16.34 +/- 1.37   0.915% *  0.3372% (0.90   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    PHE   97  19.78 +/- 3.22   0.624% *  0.3011% (0.80   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   97  13.51 +/- 2.34   2.166% *  0.0580% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.30 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 = 6.06, residual support = 44.2:
          HB3   MET   96 - HN    PHE   97   4.11 +/- 0.50  89.170% * 91.3847% (0.15   6.07  44.24) =  99.830%  kept
          HB3   GLN   30 - HN    PHE   97  15.17 +/- 2.86   2.587% *  1.4164% (0.73   0.02   0.02) =   0.045%
          HB2   MET   92 - HN    PHE   97  15.60 +/- 1.14   1.863% *  1.6920% (0.87   0.02   0.02) =   0.039%
          HB3   PRO   58 - HN    PHE   97  17.68 +/- 2.84   1.551% *  1.9120% (0.98   0.02   0.02) =   0.036%
          HB    ILE   56 - HN    PHE   97  15.92 +/- 3.11   2.275% *  0.7321% (0.38   0.02   0.02) =   0.020%
          HB3   LYS+  38 - HN    PHE   97  17.08 +/- 3.02   1.529% *  1.0263% (0.53   0.02   0.02) =   0.019%
          HB3   GLU-  14 - HN    PHE   97  22.80 +/- 3.84   0.718% *  0.7321% (0.38   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    PHE   97  30.19 +/- 4.47   0.306% *  1.1044% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.624, support = 1.86, residual support = 2.37:
          QG2   ILE  103 - HN    PHE   97   3.34 +/- 0.66  74.508% * 58.0805% (0.61   1.97   2.51) =  88.347%  kept
          QD2   LEU   40 - HN    PHE   97   7.45 +/- 3.05  14.249% * 39.5772% (0.76   1.06   1.38) =  11.513%  kept
          QD1   LEU   67 - HN    PHE   97  11.03 +/- 2.95   4.365% *  0.7063% (0.73   0.02   0.02) =   0.063%
          HB    VAL   75 - HN    PHE   97  11.10 +/- 1.06   2.806% *  0.9201% (0.95   0.02   0.02) =   0.053%
          QD1   ILE  119 - HN    PHE   97  11.70 +/- 2.30   3.089% *  0.2425% (0.25   0.02   0.92) =   0.015%
          HG3   LYS+  74 - HN    PHE   97  16.19 +/- 1.85   0.983% *  0.4734% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.35 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 = 0.239, support = 3.93, residual support = 11.7:
          HB3   PHE   95 - HN    MET   96   3.91 +/- 0.44  77.974% * 78.3986% (0.24   3.99  11.92) =  98.280%  kept
          HG3   GLN  116 - HN    MET   96  14.37 +/- 2.09   5.578% * 13.6499% (0.46   0.36   0.02) =   1.224%  kept
          HG2   GLN  116 - HN    MET   96  13.72 +/- 1.63   3.407% *  5.5134% (0.19   0.35   0.02) =   0.302%  kept
          HB3   TRP   87 - HN    MET   96   8.72 +/- 2.28  12.365% *  0.8927% (0.54   0.02   0.02) =   0.177%  kept
          HG2   GLU-  25 - HN    MET   96  21.10 +/- 2.72   0.676% *  1.5455% (0.93   0.02   0.02) =   0.017%
    Distance limit 4.19 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 = 0.943, support = 4.03, residual support = 115.3:
      O   HB2   MET   96 - HN    MET   96   2.71 +/- 0.23  89.077% * 97.8164% (0.94  10.0   4.03 115.41) =  99.870%  kept
          HB2   ASP- 105 - HN    MET   96   7.58 +/- 1.01   6.027% *  1.8400% (0.42   1.0   0.84   0.02) =   0.127%  kept
          HB    VAL   70 - HN    MET   96  11.18 +/- 2.12   1.619% *  0.0712% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    MET   96  12.73 +/- 1.65   0.951% *  0.0673% (0.65   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  16.02 +/- 3.32   0.626% *  0.0634% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.61 +/- 0.94   0.496% *  0.0749% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  20.41 +/- 2.81   0.274% *  0.0516% (0.50   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.14 +/- 1.07   0.930% *  0.0151% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.96, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.86 +/- 0.30  94.447% * 99.5022% (0.57  10.0   3.97 115.41) =  99.994%  kept
          HB2   LEU   40 - HN    MET   96  12.47 +/- 2.16   1.375% *  0.1552% (0.89   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    MET   96  13.80 +/- 3.51   1.369% *  0.0863% (0.50   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    MET   96  17.72 +/- 2.71   0.832% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  12.41 +/- 2.16   1.563% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  21.80 +/- 3.47   0.307% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.26 +/- 4.31   0.107% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.219, support = 1.37, residual support = 14.4:
          HB    VAL   43 - HN    MET   96   4.34 +/- 1.09  56.759% * 60.3405% (0.19   1.50  16.01) =  90.034%  kept
          HG2   PRO   93 - HN    MET   96  10.58 +/- 1.23  12.931% * 22.8746% (0.46   0.23   0.02) =   7.776%  kept
          QB    LYS+  65 - HN    MET   96  11.62 +/- 3.03  11.507% *  3.3957% (0.79   0.02   0.02) =   1.027%  kept
          HB2   LEU   71 - HN    MET   96  13.57 +/- 3.59   6.271% *  3.5265% (0.82   0.02   0.02) =   0.581%  kept
          QB    LYS+ 102 - HN    MET   96  11.97 +/- 1.05   3.201% *  2.9521% (0.69   0.02   0.02) =   0.248%  kept
          HB2   LYS+  99 - HN    MET   96  11.23 +/- 0.61   3.766% *  1.1303% (0.26   0.02   0.02) =   0.112%  kept
          HB3   GLN   17 - HN    MET   96  17.99 +/- 3.22   1.008% *  3.7529% (0.87   0.02   0.02) =   0.099%
          QB    LYS+  66 - HN    MET   96  13.21 +/- 2.34   2.576% *  1.0137% (0.24   0.02   0.02) =   0.069%
          QD    LYS+  81 - HN    MET   96  16.20 +/- 2.33   1.979% *  1.0137% (0.24   0.02   0.02) =   0.053%
    Distance limit 4.07 A violated in 0 structures by 0.26 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.827, support = 1.62, residual support = 3.01:
          QG2   THR   94 - HN    MET   96   4.35 +/- 0.49  67.681% * 86.6437% (0.85   1.65   2.94) =  96.734%  kept
          HG12  ILE   89 - HN    MET   96   7.94 +/- 2.19  18.938% *  9.7640% (0.21   0.75   5.45) =   3.050%  kept
          HB3   LEU   71 - HN    MET   96  13.84 +/- 3.47   4.908% *  1.1063% (0.89   0.02   0.02) =   0.090%
          HD2   LYS+ 112 - HN    MET   96  14.08 +/- 2.99   3.129% *  1.1464% (0.93   0.02   0.02) =   0.059%
          HB3   LYS+ 112 - HN    MET   96  14.21 +/- 2.12   3.339% *  1.0145% (0.82   0.02   0.02) =   0.056%
          HG3   LYS+ 111 - HN    MET   96  15.53 +/- 1.86   2.005% *  0.3252% (0.26   0.02   0.02) =   0.011%
    Distance limit 4.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.88, residual support = 15.5:
          QG1   VAL   43 - HN    MET   96   3.74 +/- 1.19  63.249% * 84.9262% (0.76   2.96  16.01) =  97.088%  kept
          QD2   LEU  104 - HN    MET   96   8.82 +/- 0.97  11.385% *  8.9772% (0.69   0.34   0.02) =   1.847%  kept
          QG2   THR   46 - HN    MET   96   8.85 +/- 1.33  11.818% *  4.3471% (0.94   0.12   0.02) =   0.929%  kept
          QG2   VAL   18 - HN    MET   96  11.47 +/- 2.70   4.427% *  0.6923% (0.91   0.02   0.02) =   0.055%
          QG1   VAL   41 - HN    MET   96   9.11 +/- 1.72   6.299% *  0.4351% (0.57   0.02   0.02) =   0.050%
          QD1   ILE   19 - HN    MET   96  13.55 +/- 2.79   2.822% *  0.6222% (0.82   0.02   0.02) =   0.032%
    Distance limit 4.76 A violated in 0 structures by 0.08 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.735, support = 0.735, residual support = 0.256:
          QD1   LEU   63 - HN    MET   96   8.42 +/- 3.52  17.357% * 36.7226% (0.85   0.68   0.26) =  44.873%  kept
          QD2   LEU  115 - HN    MET   96   8.76 +/- 1.31  11.567% * 36.7275% (0.54   1.07   0.25) =  29.908%  kept
          QD2   LEU   63 - HN    MET   96   8.42 +/- 3.08  14.105% * 23.7415% (0.79   0.47   0.26) =  23.576%  kept
          QD1   LEU   73 - HN    MET   96   9.78 +/- 2.23   8.547% *  1.0865% (0.85   0.02   0.02) =   0.654%  kept
          QD2   LEU   98 - HN    MET   96   6.35 +/- 1.33  21.410% *  0.1869% (0.15   0.02   0.17) =   0.282%  kept
          QD1   LEU  104 - HN    MET   96   8.50 +/- 1.37  10.057% *  0.3739% (0.29   0.02   0.02) =   0.265%  kept
          QG2   VAL   41 - HN    MET   96   8.37 +/- 1.39   8.575% *  0.3368% (0.26   0.02   0.02) =   0.203%  kept
          QD2   LEU   80 - HN    MET   96  13.21 +/- 2.76   4.062% *  0.6374% (0.50   0.02   0.02) =   0.182%  kept
          QD1   LEU   80 - HN    MET   96  13.22 +/- 3.12   4.320% *  0.1869% (0.15   0.02   0.02) =   0.057%
    Distance limit 4.68 A violated in 1 structures by 0.49 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.711, support = 1.45, residual support = 5.21:
          QD1   ILE   89 - HN    MET   96   5.29 +/- 1.87  62.152% * 84.4124% (0.72   1.50   5.45) =  95.457%  kept
          QG2   VAL   83 - HN    MET   96   9.74 +/- 1.88  15.943% * 15.3883% (0.46   0.43   0.02) =   4.464%  kept
          QD2   LEU   31 - HN    MET   96  11.01 +/- 2.62  21.905% *  0.1993% (0.13   0.02   0.02) =   0.079%
    Distance limit 4.54 A violated in 6 structures by 0.99 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.85, residual support = 73.4:
      O   HB2   PHE   95 - HN    PHE   95   2.78 +/- 0.37 100.000% *100.0000% (0.87  10.0   3.85  73.42) = 100.000%  kept
    Distance limit 4.10 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 = 4.18, residual support = 73.4:
      O   HB3   PHE   95 - HN    PHE   95   3.38 +/- 0.52  95.749% * 99.8580% (0.98  10.0   4.18  73.42) =  99.996%  kept
          HG2   GLN  116 - HN    PHE   95  11.93 +/- 1.96   3.875% *  0.0964% (0.95   1.0   0.02   0.02) =   0.004%
          HG2   GLU-  25 - HN    PHE   95  23.82 +/- 2.91   0.376% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.986, support = 3.63, residual support = 45.4:
          HB    VAL  107 - HN    PHE   95   3.82 +/- 0.44  70.082% * 89.9819% (0.99   3.70  46.22) =  98.212%  kept
          HB3   PHE   45 - HN    PHE   95   6.55 +/- 0.86  20.204% *  3.7019% (0.69   0.22   1.89) =   1.165%  kept
          QE    LYS+ 112 - HN    PHE   95   9.78 +/- 2.36   6.925% *  5.6972% (0.69   0.34   3.16) =   0.614%  kept
          QG    GLU-  79 - HN    PHE   95  14.13 +/- 1.92   1.947% *  0.1844% (0.38   0.02   0.02) =   0.006%
          QG    GLN   32 - HN    PHE   95  21.38 +/- 2.00   0.477% *  0.3374% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  23.36 +/- 2.37   0.365% *  0.0972% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.783, support = 4.31, residual support = 18.4:
          QG2   THR   94 - HN    PHE   95   2.65 +/- 0.43  59.750% * 76.8715% (0.87   4.28  14.50) =  87.358%  kept
          QG2   VAL  107 - HN    PHE   95   3.72 +/- 1.07  35.725% * 18.3920% (0.20   4.49  46.22) =  12.497%  kept
          HG13  ILE  103 - HN    PHE   95   9.87 +/- 0.98   1.721% *  3.9941% (0.61   0.32   0.02) =   0.131%  kept
          HB3   LYS+ 112 - HN    PHE   95  11.22 +/- 1.87   1.035% *  0.3710% (0.90   0.02   3.16) =   0.007%
          HD2   LYS+ 112 - HN    PHE   95  11.46 +/- 2.62   1.296% *  0.2013% (0.49   0.02   3.16) =   0.005%
          HB3   LEU   71 - HN    PHE   95  17.12 +/- 3.29   0.472% *  0.1700% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.67 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 = 24.4:
      O   HB    THR   94 - HN    THR   94   2.88 +/- 0.33  82.676% * 98.9931% (0.65  10.0   3.08  24.41) =  99.979%  kept
          HA    LYS+  65 - HN    THR   94  13.57 +/- 3.89   6.096% *  0.1413% (0.92   1.0   0.02   0.02) =   0.011%
          QB    SER   48 - HN    THR   94  11.04 +/- 1.13   1.767% *  0.1169% (0.76   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    THR   94  12.53 +/- 1.56   1.306% *  0.1477% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  10.85 +/- 2.00   2.034% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  16.61 +/- 2.43   0.731% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    THR   94  11.75 +/- 2.08   1.917% *  0.0382% (0.25   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  13.76 +/- 1.53   0.874% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    THR   94  11.29 +/- 1.26   1.721% *  0.0268% (0.18   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR   94  16.88 +/- 2.31   0.473% *  0.0866% (0.57   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    THR   94  22.66 +/- 3.10   0.214% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.76 +/- 1.80   0.191% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.945, support = 2.96, residual support = 27.7:
          HB2   PHE   45 - HN    THR   94   2.54 +/- 0.71  96.865% * 96.9077% (0.95   2.96  27.70) =  99.933%  kept
          QE    LYS+ 111 - HN    THR   94  12.39 +/- 2.05   2.190% *  2.7000% (1.00   0.08   0.02) =   0.063%
          HB2   CYS   21 - HN    THR   94  15.86 +/- 3.60   0.945% *  0.3923% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.16 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 = 0.549, support = 1.41, residual support = 24.8:
          HB3   PHE   45 - HN    THR   94   3.61 +/- 0.73  58.171% * 59.7465% (0.57   1.50  27.70) =  89.550%  kept
          QE    LYS+ 112 - HN    THR   94   9.42 +/- 3.18  19.989% * 10.3460% (0.57   0.26   0.02) =   5.329%  kept
          HB    VAL  107 - HN    THR   94   7.25 +/- 0.78   9.583% * 16.0146% (0.20   1.15   0.02) =   3.954%  kept
          HG3   MET   96 - HN    THR   94   9.59 +/- 1.03   3.664% *  9.9467% (0.28   0.51   2.94) =   0.939%  kept
          HB3   ASP-  62 - HN    THR   94  11.66 +/- 3.00   6.807% *  0.9665% (0.69   0.02   0.02) =   0.170%  kept
          HB3   ASP-  86 - HN    THR   94  13.42 +/- 1.07   1.376% *  1.3946% (0.99   0.02   0.02) =   0.049%
          HG2   GLU-  29 - HN    THR   94  23.50 +/- 1.93   0.239% *  1.3946% (0.99   0.02   0.02) =   0.009%
          HG2   GLU-  36 - HN    THR   94  26.43 +/- 1.70   0.171% *  0.1904% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.36, residual support = 15.4:
      O   HB2   PRO   93 - HN    THR   94   3.58 +/- 0.44  78.078% * 99.5171% (0.98  10.0   4.36  15.45) =  99.984%  kept
          HB    VAL  108 - HN    THR   94   9.25 +/- 2.17   8.625% *  0.0697% (0.69   1.0   0.02   0.02) =   0.008%
          HG3   PRO   52 - HN    THR   94  11.29 +/- 3.01   4.468% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    THR   94  13.43 +/- 1.97   2.091% *  0.0776% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   94  13.02 +/- 1.99   2.324% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    THR   94  13.62 +/- 2.31   1.854% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.77 +/- 2.06   0.774% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.90 +/- 3.45   0.443% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  21.90 +/- 1.26   0.413% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.04 +/- 2.11   0.739% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  31.49 +/- 4.51   0.189% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.89, support = 2.69, residual support = 15.2:
      O   HB3   PRO   93 - HN    THR   94   3.71 +/- 0.42  49.493% * 94.6947% (0.90  10.0   2.71  15.45) =  98.445%  kept
          HB3   ASP-  44 - HN    THR   94   6.02 +/- 1.04  16.738% *  4.2409% (0.49   1.0   1.65   0.02) =   1.491%  kept
          HB2   LYS+ 112 - HN    THR   94  11.12 +/- 2.07   3.249% *  0.3145% (0.76   1.0   0.08   0.02) =   0.021%
          QB    ALA   84 - HN    THR   94   8.43 +/- 1.60   6.272% *  0.0916% (0.87   1.0   0.02   0.02) =   0.012%
          HG3   LYS+  65 - HN    THR   94  13.05 +/- 4.40   9.479% *  0.0598% (0.57   1.0   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - HN    THR   94  10.86 +/- 1.52   2.421% *  0.0916% (0.87   1.0   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    THR   94  13.23 +/- 2.73   2.286% *  0.0683% (0.65   1.0   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    THR   94  13.28 +/- 1.93   1.641% *  0.0807% (0.76   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    THR   94  11.21 +/- 0.88   2.033% *  0.0598% (0.57   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    THR   94  10.82 +/- 2.15   3.062% *  0.0396% (0.38   1.0   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    THR   94  12.80 +/- 2.05   1.622% *  0.0294% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    THR   94  19.27 +/- 2.36   0.420% *  0.0683% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  20.23 +/- 1.40   0.336% *  0.0725% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    THR   94  21.78 +/- 2.01   0.290% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  19.37 +/- 2.27   0.405% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.03 +/- 2.83   0.253% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.417, support = 2.99, residual support = 21.0:
          QG2   THR   94 - HN    THR   94   3.81 +/- 0.28  59.185% * 58.1704% (0.34   3.51  24.41) =  81.661%  kept
          HG12  ILE   89 - HN    THR   94   6.54 +/- 1.77  24.471% * 27.8657% (0.76   0.75   6.38) =  16.175%  kept
          HD2   LYS+ 112 - HN    THR   94  11.34 +/- 3.42   9.156% *  8.7009% (0.73   0.25   0.02) =   1.890%  kept
          HG3   LYS+ 111 - HN    THR   94  12.95 +/- 2.42   2.214% *  3.1649% (0.84   0.08   0.02) =   0.166%  kept
          HB3   LYS+ 112 - HN    THR   94  11.39 +/- 2.15   3.175% *  1.1695% (0.31   0.08   0.02) =   0.088%
          HB3   LEU   71 - HN    THR   94  17.43 +/- 3.12   0.938% *  0.7786% (0.80   0.02   0.02) =   0.017%
          HG    LEU   71 - HN    THR   94  17.80 +/- 3.36   0.861% *  0.1500% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.48 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 = 0.896, support = 1.55, residual support = 6.38:
          QG2   ILE   89 - HN    THR   94   4.93 +/- 0.80  90.232% * 99.6014% (0.90   1.55   6.38) =  99.957%  kept
          QG1   VAL   83 - HN    THR   94  11.08 +/- 1.51   9.768% *  0.3986% (0.28   0.02   0.02) =   0.043%
    Distance limit 4.64 A violated in 2 structures by 0.48 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.246, support = 3.26, residual support = 52.1:
          HG3   MET   92 - HN    MET   92   3.42 +/- 0.63  80.628% * 45.6608% (0.14   3.74  61.49) =  84.665%  kept
          QG    GLN   90 - HN    MET   92   6.66 +/- 0.69  14.750% * 44.7529% (0.87   0.57   0.02) =  15.181%  kept
          HB2   ASP-  44 - HN    MET   92  12.93 +/- 1.24   1.929% *  1.7667% (0.98   0.02   0.02) =   0.078%
          HG12  ILE  119 - HN    MET   92  16.26 +/- 2.29   1.241% *  0.9483% (0.53   0.02   0.02) =   0.027%
          HB3   PHE   72 - HN    MET   92  18.99 +/- 2.13   0.647% *  1.6638% (0.92   0.02   0.02) =   0.025%
          QG    GLU-  15 - HN    MET   92  26.75 +/- 2.97   0.226% *  1.8024% (1.00   0.02   0.02) =   0.009%
          QG    GLU-  14 - HN    MET   92  27.35 +/- 3.83   0.223% *  1.7395% (0.97   0.02   0.02) =   0.009%
          QB    MET   11 - HN    MET   92  32.15 +/- 5.25   0.149% *  1.3088% (0.73   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HN    MET   92  27.06 +/- 2.66   0.207% *  0.3567% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 3.65, residual support = 61.4:
      O   HB2   MET   92 - HN    MET   92   3.08 +/- 0.52  75.265% * 98.2394% (1.00  10.0   3.65  61.49) =  99.858%  kept
          HB3   GLN   90 - HN    MET   92   7.12 +/- 0.57   7.582% *  1.3225% (0.18   1.0   1.53   0.02) =   0.135%  kept
          QB    LYS+  81 - HN    MET   92  11.60 +/- 3.29  13.653% *  0.0219% (0.22   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    MET   92  14.72 +/- 3.51   1.198% *  0.0637% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  19.10 +/- 3.17   0.476% *  0.0950% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    MET   92  12.77 +/- 1.13   1.192% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  23.01 +/- 2.52   0.209% *  0.0931% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.27 +/- 2.94   0.113% *  0.0788% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  25.14 +/- 2.31   0.159% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  30.06 +/- 3.91   0.103% *  0.0172% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  36.95 +/- 5.52   0.050% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.561, support = 3.99, residual support = 60.7:
      O   HB3   MET   92 - HN    MET   92   3.57 +/- 0.45  67.490% * 94.2016% (0.57  10.0   4.00  61.49) =  98.699%  kept
          HG3   PRO   93 - HN    MET   92   5.91 +/- 0.85  16.552% *  4.9869% (0.20   1.0   3.03   1.87) =   1.281%  kept
          QG1   ILE   56 - HN    MET   92  12.29 +/- 3.02   2.584% *  0.1272% (0.76   1.0   0.02   0.02) =   0.005%
          HB    ILE   89 - HN    MET   92   8.32 +/- 1.12   6.768% *  0.0415% (0.25   1.0   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HN    MET   92  13.60 +/- 1.92   1.662% *  0.1492% (0.90   1.0   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    MET   92  13.66 +/- 3.46   2.671% *  0.0746% (0.45   1.0   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    MET   92  19.21 +/- 3.19   0.812% *  0.1208% (0.73   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  22.70 +/- 2.36   0.386% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.60 +/- 2.09   0.307% *  0.1076% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    MET   92  22.84 +/- 4.44   0.767% *  0.0370% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 9.23:
          QB    ALA   91 - HN    MET   92   3.02 +/- 0.32  93.858% * 96.2699% (1.00   3.13   9.24) =  99.972%  kept
          QG2   ILE   56 - HN    MET   92  12.01 +/- 3.06   3.411% *  0.4239% (0.69   0.02   0.02) =   0.016%
          HG2   LYS+  74 - HN    MET   92  16.75 +/- 2.95   0.681% *  0.3992% (0.65   0.02   0.02) =   0.003%
          QG2   THR   39 - HN    MET   92  21.15 +/- 2.59   0.345% *  0.6157% (1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    MET   92  23.82 +/- 4.30   0.388% *  0.3743% (0.61   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    MET   92  23.79 +/- 3.60   0.234% *  0.5353% (0.87   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    MET   92  20.81 +/- 1.90   0.340% *  0.3004% (0.49   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  25.09 +/- 2.47   0.214% *  0.4239% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  29.99 +/- 2.69   0.124% *  0.5353% (0.87   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  19.93 +/- 2.90   0.405% *  0.1221% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 0.606, support = 2.48, residual support = 7.68:
          HA    ILE   89 - HN    ALA   91   3.70 +/- 0.42  83.009% * 96.1949% (0.61   2.49   7.68) =  99.954%  kept
          HB    THR  118 - HN    ALA   91  15.10 +/- 2.14   1.483% *  1.2072% (0.95   0.02   0.02) =   0.022%
          HB3   SER   82 - HN    ALA   91  13.65 +/- 1.42   2.646% *  0.2235% (0.18   0.02   0.02) =   0.007%
          QB    SER   13 - HN    TRP   27  16.02 +/- 3.73   4.586% *  0.0648% (0.05   0.02   0.02) =   0.004%
          HB    THR   39 - HN    ALA   91  24.76 +/- 1.58   0.310% *  0.5721% (0.45   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    ALA   91  27.68 +/- 2.30   0.227% *  0.7740% (0.61   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    TRP   27  15.69 +/- 1.71   1.567% *  0.0956% (0.07   0.02   0.02) =   0.002%
          HB    THR  118 - HN    TRP   27  22.00 +/- 4.08   0.994% *  0.1492% (0.12   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  15.14 +/- 2.42   1.958% *  0.0707% (0.06   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  29.15 +/- 2.92   0.204% *  0.5246% (0.41   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    TRP   27  19.49 +/- 3.50   0.695% *  0.0956% (0.07   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    TRP   27  17.63 +/- 8.01   2.321% *  0.0276% (0.02   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.712, support = 4.91, residual support = 31.6:
          HB2   GLN   90 - HN    ALA   91   3.64 +/- 0.51  49.230% * 91.7464% (0.73   4.96  32.30) =  97.803%  kept
          HB2   GLU-  25 - HN    TRP   27   5.01 +/- 0.26  20.870% *  2.4925% (0.02   4.00   0.58) =   1.126%  kept
          HG3   GLU-  29 - HN    TRP   27   5.83 +/- 0.53  12.966% *  3.1891% (0.11   1.13   0.02) =   0.895%  kept
          HB3   GLU-  29 - HN    TRP   27   6.82 +/- 0.44   8.288% *  0.9032% (0.07   0.55   0.02) =   0.162%  kept
          HB3   GLU-  79 - HN    ALA   91  13.95 +/- 2.69   2.936% *  0.1008% (0.20   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HN    ALA   91  26.46 +/- 3.20   0.162% *  0.4569% (0.90   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ALA   91  28.67 +/- 1.83   0.116% *  0.4819% (0.95   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   91  26.74 +/- 2.91   0.152% *  0.2680% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  13.41 +/- 5.44   3.101% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  18.23 +/- 1.20   0.427% *  0.0595% (0.12   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  25.14 +/- 3.96   0.217% *  0.1008% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.50 +/- 2.14   0.152% *  0.1270% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.74 +/- 0.99   1.036% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  22.20 +/- 4.17   0.346% *  0.0457% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.976, support = 4.9, residual support = 31.9:
          HB3   GLN   90 - HN    ALA   91   3.51 +/- 0.64  47.328% * 90.8671% (0.99   4.96  32.30) =  98.151%  kept
          HB2   MET   92 - HN    ALA   91   6.10 +/- 0.97  13.916% *  5.5703% (0.15   1.95   9.24) =   1.769%  kept
          QB    LYS+  81 - HN    ALA   91  10.53 +/- 2.07   2.609% *  0.3568% (0.97   0.02   0.02) =   0.021%
          QB    LYS+ 106 - HN    ALA   91  10.88 +/- 2.08   2.418% *  0.3497% (0.95   0.02   0.02) =   0.019%
          HB3   ASP- 105 - HN    ALA   91  16.79 +/- 1.74   0.645% *  0.3624% (0.98   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    TRP   27   5.13 +/- 0.71  19.134% *  0.0114% (0.03   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ALA   91  17.10 +/- 2.50   0.598% *  0.3497% (0.95   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    ALA   91  17.82 +/- 2.98   0.429% *  0.3568% (0.97   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ALA   91  16.01 +/- 3.04   0.668% *  0.2093% (0.57   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    ALA   91  13.56 +/- 3.60   1.455% *  0.0922% (0.25   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    TRP   27   9.55 +/- 1.00   2.887% *  0.0457% (0.12   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    TRP   27  20.17 +/- 4.39   2.156% *  0.0448% (0.12   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA   91  24.13 +/- 3.62   0.266% *  0.3413% (0.92   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ALA   91  23.98 +/- 2.14   0.191% *  0.3697% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  17.16 +/- 6.04   1.138% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ALA   91  23.13 +/- 3.94   0.528% *  0.0922% (0.25   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    TRP   27  18.08 +/- 3.44   0.688% *  0.0432% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  21.70 +/- 2.68   0.279% *  0.0922% (0.25   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  19.23 +/- 4.52   0.573% *  0.0432% (0.12   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ALA   91  27.76 +/- 2.02   0.119% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  21.69 +/- 4.17   0.351% *  0.0453% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  21.18 +/- 2.03   0.256% *  0.0422% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.28 +/- 1.33   0.404% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  25.63 +/- 3.42   0.154% *  0.0441% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  23.03 +/- 2.77   0.206% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  26.29 +/- 4.53   0.235% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.65 +/- 2.70   0.229% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  25.80 +/- 3.01   0.140% *  0.0114% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.07, residual support = 12.8:
      O   QB    ALA   91 - HN    ALA   91   2.35 +/- 0.20  76.762% * 99.2924% (0.92  10.0   3.07  12.79) =  99.996%  kept
          QG2   THR   23 - HN    TRP   27   4.79 +/- 0.82  15.140% *  0.0055% (0.05   1.0   0.02   1.22) =   0.001%
          QG2   ILE   56 - HN    ALA   91  13.34 +/- 2.69   0.680% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    TRP   27   9.98 +/- 1.59   1.809% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  20.23 +/- 2.17   0.143% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.36 +/- 0.79   1.372% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  16.64 +/- 2.69   0.314% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.57 +/- 1.76   0.152% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.73 +/- 2.07   0.848% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  19.14 +/- 3.09   0.184% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.21 +/- 3.28   0.096% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  28.39 +/- 2.09   0.050% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  23.22 +/- 2.40   0.113% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.18 +/- 3.47   0.128% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.72 +/- 1.54   0.806% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.77 +/- 1.65   0.178% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.46 +/- 2.44   0.515% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  19.96 +/- 2.36   0.175% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  19.49 +/- 2.90   0.174% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.16 +/- 3.77   0.361% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 5.32, residual support = 160.2:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  98.731% * 99.2019% (0.18  10.0   5.32 160.24) =  99.995%  kept
          HA    ALA   20 - HN    LYS+ 102  20.28 +/- 3.12   0.546% *  0.5652% (1.00   1.0   0.02   0.02) =   0.003%
          HA    LEU   71 - HN    LYS+ 102  16.31 +/- 3.49   0.723% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 4.09 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 = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.39 +/- 0.16  90.272% * 99.3899% (0.61  10.0   3.13  12.51) =  99.993%  kept
          HA    ALA   34 - HN    LYS+ 102  13.69 +/- 4.88   2.933% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    LYS+ 102  20.22 +/- 4.93   0.917% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LYS+ 102  16.08 +/- 4.84   1.983% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    LYS+ 102  20.70 +/- 5.72   2.079% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  21.64 +/- 1.87   0.377% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  19.84 +/- 3.60   0.674% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.51 +/- 2.11   0.523% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  25.43 +/- 2.61   0.241% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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   2.85 +/- 0.55  94.849% * 99.6785% (0.28  10.0   3.13  12.51) =  99.991%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.88 +/- 4.88   4.921% *  0.1607% (0.45   1.0   0.02   0.02) =   0.008%
          HD2   PRO   93 - HN    LYS+ 102  23.38 +/- 1.73   0.230% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.819, support = 0.02, residual support = 0.02:
          HB3   GLU-  25 - HN    LYS+ 102  22.63 +/- 5.92  11.421% * 14.4279% (1.00   0.02   0.02) =  15.539%  kept
          QB    GLU-  15 - HN    LYS+ 102  18.30 +/- 4.04  12.033% * 13.6482% (0.95   0.02   0.02) =  15.486%  kept
          QB    GLU- 114 - HN    LYS+ 102  18.87 +/- 1.72  11.398% * 12.0512% (0.84   0.02   0.02) =  12.953%  kept
          HB    ILE   19 - HN    LYS+ 102  18.17 +/- 3.64  12.246% * 11.0262% (0.76   0.02   0.02) =  12.732%  kept
          HB2   GLN   17 - HN    LYS+ 102  21.51 +/- 4.77   9.366% * 13.6482% (0.95   0.02   0.02) =  12.054%  kept
          HG2   PRO   68 - HN    LYS+ 102  20.57 +/- 4.62  11.839% *  9.9106% (0.69   0.02   0.02) =  11.064%  kept
          HB3   PRO   68 - HN    LYS+ 102  21.14 +/- 4.27   9.526% *  8.7509% (0.61   0.02   0.02) =   7.861%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  24.49 +/- 3.24   5.438% * 12.9393% (0.90   0.02   0.02) =   6.635%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.96 +/- 4.13  16.732% *  3.5976% (0.25   0.02   0.02) =   5.676%  kept
    Distance limit 4.55 A violated in 20 structures by 7.43 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 4.8, residual support = 159.4:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.57 +/- 0.17  86.669% * 92.4506% (0.98  10.0   4.81 160.24) =  99.389%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.30 +/- 0.68   6.906% *  7.0752% (0.45   1.0   3.35  23.36) =   0.606%  kept
          HB    VAL   41 - HN    LYS+ 102  10.34 +/- 3.43   2.428% *  0.0572% (0.61   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LYS+ 102  19.73 +/- 3.98   1.673% *  0.0755% (0.80   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+ 102  15.35 +/- 4.56   0.626% *  0.0846% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+ 102  21.21 +/- 4.68   0.910% *  0.0354% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  19.53 +/- 2.70   0.356% *  0.0871% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.90 +/- 1.66   0.152% *  0.0925% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  22.93 +/- 5.41   0.193% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  28.20 +/- 3.01   0.087% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.11, residual support = 124.4:
          HG2   LYS+ 102 - HN    LYS+ 102   3.60 +/- 0.36  60.240% * 59.4078% (0.28   4.57 160.24) =  77.380%  kept
          QB    LEU   98 - HN    LYS+ 102   5.07 +/- 1.08  30.915% * 33.6585% (0.28   2.59   1.93) =  22.499%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  16.55 +/- 7.41   1.920% *  0.5299% (0.57   0.02   0.02) =   0.022%
          QB    ALA   61 - HN    LYS+ 102  17.46 +/- 3.45   1.050% *  0.8394% (0.90   0.02   0.02) =   0.019%
          QG    LYS+  66 - HN    LYS+ 102  20.27 +/- 3.54   1.569% *  0.5299% (0.57   0.02   0.02) =   0.018%
          HG12  ILE   19 - HN    LYS+ 102  18.69 +/- 4.51   0.761% *  0.9339% (1.00   0.02   0.02) =   0.015%
          HB3   LEU   67 - HN    LYS+ 102  18.75 +/- 3.69   0.758% *  0.7153% (0.76   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    LYS+ 102  16.40 +/- 4.16   1.304% *  0.3513% (0.38   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    LYS+ 102  19.90 +/- 1.73   0.401% *  0.9339% (1.00   0.02   0.02) =   0.008%
          HG    LEU   80 - HN    LYS+ 102  22.94 +/- 5.74   0.332% *  0.9277% (0.99   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    LYS+ 102  22.17 +/- 5.13   0.343% *  0.6797% (0.73   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    LYS+ 102  20.16 +/- 2.46   0.408% *  0.4925% (0.53   0.02   0.02) =   0.004%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.56, support = 1.57, residual support = 1.12:
          QD2   LEU  104 - HN    LYS+ 102   4.49 +/- 0.89  44.472% * 41.3346% (0.95   0.41   0.32) =  49.808%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.10 +/- 1.30  35.776% * 51.2346% (0.18   2.75   1.93) =  49.666%  kept
          QG1   VAL   41 - HN    LYS+ 102   8.32 +/- 3.40  12.625% *  0.7249% (0.34   0.02   0.02) =   0.248%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.40 +/- 1.46   4.184% *  1.1181% (0.53   0.02   0.02) =   0.127%  kept
          QD1   ILE   19 - HN    LYS+ 102  15.77 +/- 3.46   1.410% *  2.1204% (1.00   0.02   0.02) =   0.081%
          QG2   VAL   18 - HN    LYS+ 102  16.72 +/- 2.79   0.965% *  1.6241% (0.76   0.02   0.02) =   0.042%
          QG2   THR   46 - HN    LYS+ 102  18.58 +/- 1.62   0.567% *  1.8434% (0.87   0.02   0.02) =   0.028%
    Distance limit 4.33 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 = 40.1:
      O   HA    ILE   89 - HN    GLN   90   2.47 +/- 0.37  97.577% * 99.5753% (0.61  10.0   6.36  40.05) =  99.998%  kept
          HB    THR  118 - HN    GLN   90  15.07 +/- 2.51   0.746% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   90  12.47 +/- 1.27   1.362% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  26.78 +/- 2.21   0.096% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  23.87 +/- 1.58   0.129% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.29 +/- 2.99   0.089% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.894, support = 5.64, residual support = 88.5:
          QG    GLN   90 - HN    GLN   90   3.23 +/- 0.85  81.503% * 91.5872% (0.90   5.68  89.31) =  99.098%  kept
          HG3   MET   92 - HN    GLN   90   8.12 +/- 1.15  10.061% *  6.5807% (0.61   0.60   0.02) =   0.879%  kept
          HB2   ASP-  44 - HN    GLN   90  12.31 +/- 1.20   2.277% *  0.2610% (0.73   0.02   0.02) =   0.008%
          HG12  ILE  119 - HN    GLN   90  16.59 +/- 1.98   1.166% *  0.3563% (0.99   0.02   0.02) =   0.006%
          HB2   ASP- 105 - HN    GLN   90  15.24 +/- 2.75   3.148% *  0.0896% (0.25   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    GLN   90  17.43 +/- 1.48   0.803% *  0.3002% (0.84   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HN    GLN   90  24.53 +/- 3.46   0.319% *  0.2610% (0.73   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLN   90  26.26 +/- 3.45   0.241% *  0.2747% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  25.32 +/- 2.53   0.262% *  0.2180% (0.61   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLN   90  30.87 +/- 4.99   0.220% *  0.0711% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.922, support = 5.58, residual support = 89.2:
      O   HB3   GLN   90 - HN    GLN   90   3.34 +/- 0.39  76.535% * 97.9513% (0.92  10.0   5.59  89.31) =  99.843%  kept
          HB2   MET   92 - HN    GLN   90   7.62 +/- 0.94   8.694% *  1.2021% (0.38   1.0   0.60   0.02) =   0.139%  kept
          QB    LYS+ 106 - HN    GLN   90  10.31 +/- 2.75   4.239% *  0.1040% (0.98   1.0   0.02   0.02) =   0.006%
          QB    LYS+  81 - HN    GLN   90   9.72 +/- 1.83   4.039% *  0.1024% (0.97   1.0   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    GLN   90  16.24 +/- 3.00   1.318% *  0.0920% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    GLN   90  16.18 +/- 2.52   1.206% *  0.0811% (0.76   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  18.17 +/- 2.88   0.914% *  0.0771% (0.73   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  16.05 +/- 3.28   0.935% *  0.0729% (0.69   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    GLN   90  23.05 +/- 2.38   0.289% *  0.0920% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  20.62 +/- 3.03   0.450% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  23.59 +/- 3.27   0.338% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.91 +/- 3.37   0.870% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  26.89 +/- 2.13   0.174% *  0.0771% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.22, residual support = 40.1:
          QG2   ILE   89 - HN    GLN   90   2.81 +/- 0.66 100.000% *100.0000% (0.65   7.22  40.05) = 100.000%  kept
    Distance limit 3.95 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 = 0.486, support = 5.8, residual support = 40.0:
          QD1   ILE   89 - HN    GLN   90   4.27 +/- 0.41  71.357% * 99.5402% (0.49   5.81  40.05) =  99.932%  kept
          QG2   VAL   83 - HN    GLN   90   7.89 +/- 1.18  17.504% *  0.1756% (0.25   0.02   0.02) =   0.043%
          QG2   VAL   75 - HN    GLN   90   9.69 +/- 1.86   8.041% *  0.1756% (0.25   0.02   0.02) =   0.020%
          QG2   VAL   42 - HN    GLN   90  12.65 +/- 1.36   3.099% *  0.1086% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 9.52:
      O   HA    ALA   88 - HN    ILE   89   3.30 +/- 0.27  76.788% * 99.4024% (0.99  10.0   4.11   9.52) =  99.989%  kept
          QB    SER   85 - HN    ILE   89   5.93 +/- 0.65  14.956% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ILE   89  10.75 +/- 0.78   2.343% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ILE   89  14.69 +/- 2.92   1.261% *  0.0968% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  16.03 +/- 3.06   1.350% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    ILE   89  22.89 +/- 4.55   0.334% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  20.02 +/- 2.97   0.421% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  18.86 +/- 3.74   0.797% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  22.51 +/- 4.17   0.324% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  18.04 +/- 2.14   0.655% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  24.82 +/- 3.20   0.216% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  20.19 +/- 1.66   0.386% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.36 +/- 2.69   0.169% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 216.6:
      O   HA    ILE   89 - HN    ILE   89   2.71 +/- 0.19  98.408% * 99.5011% (0.34  10.0   6.00 216.60) =  99.998%  kept
          HB    THR  118 - HN    ILE   89  16.08 +/- 2.30   0.560% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  16.32 +/- 2.22   0.593% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  25.25 +/- 2.43   0.137% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  22.42 +/- 2.10   0.189% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.24 +/- 2.91   0.113% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.57, residual support = 216.6:
      O   HB    ILE   89 - HN    ILE   89   2.70 +/- 0.61  92.950% * 99.6919% (0.45  10.0   5.57 216.60) =  99.992%  kept
          HB    VAL   43 - HN    ILE   89   9.70 +/- 2.18   3.947% *  0.1170% (0.53   1.0   0.02   0.02) =   0.005%
          QD    LYS+  81 - HN    ILE   89  10.69 +/- 1.56   2.537% *  0.0997% (0.45   1.0   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    ILE   89  18.79 +/- 3.09   0.566% *  0.0914% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.75, residual support = 216.3:
          HG12  ILE   89 - HN    ILE   89   2.83 +/- 0.74  87.265% * 96.7673% (0.76   5.76 216.60) =  99.854%  kept
          QB    ALA   91 - HN    ILE   89   6.91 +/- 0.62   8.382% *  1.3091% (0.31   0.19   7.68) =   0.130%  kept
          HG2   LYS+  74 - HN    ILE   89  15.51 +/- 2.14   1.376% *  0.3812% (0.87   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    ILE   89  16.87 +/- 2.81   1.025% *  0.3019% (0.69   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    ILE   89  21.49 +/- 2.68   0.446% *  0.3941% (0.90   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  20.47 +/- 3.39   0.462% *  0.3671% (0.84   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    ILE   89  21.09 +/- 2.67   0.356% *  0.2843% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  18.42 +/- 2.31   0.476% *  0.1356% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  25.68 +/- 3.28   0.211% *  0.0595% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.13 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.57, residual support = 216.3:
          QG2   ILE   89 - HN    ILE   89   3.28 +/- 0.65  87.798% * 98.9562% (1.00   6.58 216.60) =  99.877%  kept
          QG1   VAL   83 - HN    ILE   89   7.22 +/- 0.83  10.700% *  0.9974% (0.53   0.13   0.02) =   0.123%  kept
          QD1   LEU  104 - HN    ILE   89  15.09 +/- 2.19   1.502% *  0.0464% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 216.6:
          HG13  ILE   89 - HN    ILE   89   3.55 +/- 0.67 100.000% *100.0000% (0.90   5.53 216.60) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.1:
      O   HA    ALA   88 - HN    ALA   88   2.27 +/- 0.13  96.824% * 99.0917% (0.84  10.0   1.63  12.10) =  99.996%  kept
          HB2   SER   82 - HN    ALA   88   9.65 +/- 0.71   1.305% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ALA   88  16.39 +/- 3.36   0.430% *  0.1425% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA   88  18.06 +/- 3.69   0.661% *  0.0882% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    ALA   88  23.10 +/- 5.55   0.139% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  22.65 +/- 5.12   0.136% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  21.46 +/- 2.91   0.127% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  20.27 +/- 2.30   0.177% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  25.31 +/- 4.08   0.083% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.79 +/- 1.93   0.119% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.725, support = 2.08, residual support = 12.1:
      O   QB    ALA   88 - HN    ALA   88   2.89 +/- 0.20  76.018% * 98.4174% (0.73  10.0   2.08  12.10) =  99.845%  kept
          QB    ALA   84 - HN    ALA   88   5.17 +/- 0.64  15.015% *  0.7306% (0.15   1.0   0.70   0.02) =   0.146%  kept
          HB3   LEU   80 - HN    ALA   88   9.72 +/- 0.83   2.214% *  0.0931% (0.69   1.0   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    ALA   88   9.28 +/- 2.00   3.156% *  0.0462% (0.34   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ALA   88  18.87 +/- 3.27   0.434% *  0.1216% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ALA   88  19.62 +/- 5.82   0.449% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   88  14.27 +/- 1.32   0.759% *  0.0608% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   88  21.47 +/- 3.98   0.332% *  0.1355% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   88  14.67 +/- 4.22   1.063% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  19.55 +/- 1.89   0.287% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.87 +/- 3.86   0.137% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  25.20 +/- 2.52   0.137% *  0.0418% (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 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.14, residual support = 70.6:
      O   HB2   TRP   87 - HN    TRP   87   3.61 +/- 0.35  95.544% * 99.8429% (0.73  10.0   4.14  70.62) =  99.997%  kept
          HB2   PHE   60 - HN    TRP   87  17.69 +/- 3.71   1.463% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB    THR   46 - HN    TRP   87  13.87 +/- 1.71   2.533% *  0.0469% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  23.06 +/- 2.95   0.461% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.96, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.99 +/- 0.41  93.854% * 97.4983% (0.80   3.97  22.69) =  99.976%  kept
          HB2   ASP-  78 - HN    TRP   87  13.43 +/- 1.74   1.858% *  0.3231% (0.53   0.02   0.02) =   0.007%
          QE    LYS+  65 - HN    TRP   87  18.00 +/- 4.07   0.994% *  0.5926% (0.97   0.02   0.02) =   0.006%
          HB2   ASN   28 - HN    TRP   87  18.84 +/- 6.05   0.833% *  0.6141% (1.00   0.02   0.02) =   0.006%
          QE    LYS+  33 - HN    TRP   87  21.30 +/- 4.03   0.388% *  0.6019% (0.98   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HN    TRP   87  12.32 +/- 1.50   1.788% *  0.0947% (0.15   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    TRP   87  24.28 +/- 5.40   0.284% *  0.2753% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.85 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 = 4.01, residual support = 70.6:
      O   HB3   TRP   87 - HN    TRP   87   2.83 +/- 0.20  99.111% * 99.8532% (1.00  10.0   4.01  70.62) =  99.999%  kept
          HG3   GLN  116 - HN    TRP   87  21.37 +/- 3.73   0.391% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    TRP   87  20.72 +/- 5.96   0.498% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.527, support = 2.21, residual support = 4.91:
          QB    ALA   88 - HN    TRP   87   4.46 +/- 0.13  74.307% * 96.6470% (0.53   2.22   4.93) =  99.579%  kept
          QG2   THR   77 - HN    TRP   87   8.52 +/- 1.82  16.142% *  1.4868% (0.90   0.02   0.02) =   0.333%  kept
          QG2   THR   23 - HN    TRP   87  16.00 +/- 4.01   5.853% *  0.8722% (0.53   0.02   0.02) =   0.071%
          QB    ALA   34 - HN    TRP   87  16.68 +/- 3.74   2.074% *  0.3691% (0.22   0.02   0.02) =   0.011%
          HG2   LYS+  99 - HN    TRP   87  20.70 +/- 3.98   1.049% *  0.2558% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    TRP   87  24.79 +/- 4.38   0.577% *  0.3691% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 1.88, residual support = 17.6:
          QD1   ILE   89 - HN    TRP   87   4.60 +/- 1.02  45.257% * 68.3521% (0.76   2.41  17.85) =  65.770%  kept
          QG2   VAL   83 - HN    TRP   87   4.23 +/- 0.51  51.867% * 31.0048% (0.97   0.87  17.03) =  34.191%  kept
          QD2   LEU   31 - HN    TRP   87  13.88 +/- 4.72   2.876% *  0.6431% (0.87   0.02   1.75) =   0.039%
    Distance limit 4.34 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 = 0.522, support = 1.13, residual support = 17.2:
          QG2   VAL   83 - HE1   TRP   87   2.16 +/- 0.61  86.803% * 29.6385% (0.45   1.01  17.03) =  73.479%  kept
          QD1   ILE   89 - HE1   TRP   87   5.72 +/- 1.08  13.197% * 70.3615% (0.73   1.47  17.85) =  26.521%  kept
    Distance limit 4.72 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 = 0.76, support = 3.24, residual support = 13.0:
          QB    SER   85 - HN    ASP-  86   3.02 +/- 0.24  70.723% * 82.6653% (0.76   3.33  13.45) =  96.777%  kept
          HA    ALA   88 - HN    ASP-  86   5.39 +/- 0.53  13.812% * 12.7547% (0.69   0.57   0.02) =   2.916%  kept
          HB2   SER   82 - HN    ASP-  86   6.16 +/- 0.54  10.213% *  1.6813% (0.15   0.34   0.02) =   0.284%  kept
          HD2   PRO   52 - HN    ASP-  86  18.90 +/- 3.82   0.649% *  0.5830% (0.90   0.02   0.02) =   0.006%
          HA    SER   48 - HN    ASP-  86  16.26 +/- 3.37   0.721% *  0.2915% (0.45   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ASP-  86  14.18 +/- 3.50   1.265% *  0.1447% (0.22   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    ASP-  86  22.91 +/- 6.97   0.363% *  0.4721% (0.73   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ASP-  86  10.98 +/- 1.60   1.682% *  0.1003% (0.15   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    ASP-  86  20.82 +/- 3.32   0.281% *  0.5430% (0.84   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    ASP-  86  27.61 +/- 3.22   0.107% *  0.4968% (0.76   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    ASP-  86  25.93 +/- 3.01   0.183% *  0.2673% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.83 +/- 0.15  97.416% * 95.3192% (0.61   2.25  10.78) =  99.973%  kept
          HD2   PRO   58 - HN    ASP-  86  22.74 +/- 4.67   0.954% *  0.9596% (0.69   0.02   0.02) =   0.010%
          HB2   CYS   53 - HN    ASP-  86  18.83 +/- 3.39   0.509% *  1.3481% (0.97   0.02   0.02) =   0.007%
          HD3   PRO   52 - HN    ASP-  86  19.77 +/- 4.11   0.464% *  0.7350% (0.53   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  21.40 +/- 5.27   0.357% *  0.8473% (0.61   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ASP-  86  22.17 +/- 4.37   0.300% *  0.7909% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.14 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 = 5.03, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.49 +/- 0.36  97.508% * 99.6258% (0.98  10.0   5.03  42.53) =  99.998%  kept
          HB2   ASN   28 - HN    ASP-  86  19.22 +/- 7.09   0.594% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASP-  86  18.94 +/- 4.22   0.543% *  0.0996% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASP-  86  13.06 +/- 1.41   0.971% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  22.26 +/- 4.62   0.220% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  25.61 +/- 6.01   0.163% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.55, residual support = 42.5:
      O   HB3   ASP-  86 - HN    ASP-  86   2.82 +/- 0.56  96.284% * 99.2823% (0.41  10.0   3.55  42.53) =  99.992%  kept
          HG3   MET   96 - HN    ASP-  86  12.64 +/- 3.78   2.827% *  0.2394% (0.99   1.0   0.02   0.02) =   0.007%
          HB3   ASP-  62 - HN    ASP-  86  21.36 +/- 3.15   0.276% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  86  28.40 +/- 5.17   0.170% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  22.48 +/- 6.41   0.442% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 18.0:
      O   QB    SER   85 - HN    SER   85   2.19 +/- 0.15  84.461% * 99.3113% (0.76  10.0   3.15  18.03) =  99.990%  kept
          HA    ALA   88 - HN    SER   85   5.57 +/- 1.00   7.051% *  0.0893% (0.69   1.0   0.02   0.02) =   0.008%
          HB2   SER   82 - HN    SER   85   5.63 +/- 0.32   5.514% *  0.0201% (0.15   1.0   0.02   2.87) =   0.001%
          QB    SER   48 - HN    SER   85  13.20 +/- 3.50   1.021% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  15.30 +/- 3.28   0.486% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.96 +/- 3.27   0.225% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  10.76 +/- 1.86   0.875% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  20.86 +/- 3.44   0.127% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  24.37 +/- 6.54   0.114% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  28.30 +/- 3.14   0.045% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  25.95 +/- 3.51   0.081% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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   3.60 +/- 0.02  92.374% * 99.3529% (0.49  10.0   3.27  20.66) =  99.992%  kept
          HA    VAL   75 - HN    SER   85  12.45 +/- 1.62   2.561% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    SER   85  18.11 +/- 3.08   1.028% *  0.1402% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   58 - HN    SER   85  22.12 +/- 4.12   1.715% *  0.0568% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  22.55 +/- 2.76   0.621% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  22.11 +/- 3.08   0.576% *  0.1238% (0.61   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    SER   85  17.46 +/- 3.45   1.125% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 0.997, support = 3.98, residual support = 20.6:
          QB    ALA   84 - HN    SER   85   2.69 +/- 0.13  84.923% * 96.0215% (1.00   3.98  20.66) =  99.951%  kept
          HB3   LEU   80 - HN    SER   85   6.60 +/- 0.63   6.440% *  0.2544% (0.53   0.02   0.02) =   0.020%
          HB2   LYS+ 112 - HN    SER   85  20.47 +/- 4.96   3.432% *  0.2353% (0.49   0.02   0.02) =   0.010%
          HB3   PRO   93 - HN    SER   85  14.37 +/- 2.09   0.834% *  0.4834% (1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    SER   85  16.92 +/- 4.51   0.689% *  0.4666% (0.97   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    SER   85  15.21 +/- 1.18   0.512% *  0.3695% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   85  16.39 +/- 3.79   0.524% *  0.2932% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    SER   85  20.81 +/- 6.81   0.416% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    SER   85  16.69 +/- 2.02   0.408% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  20.24 +/- 1.98   0.236% *  0.3127% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    SER   85  20.47 +/- 4.29   0.446% *  0.1492% (0.31   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    SER   85  26.33 +/- 3.07   0.122% *  0.4336% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  21.78 +/- 5.58   0.252% *  0.1988% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    SER   85  20.34 +/- 4.39   0.310% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    SER   85  18.64 +/- 2.19   0.301% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    SER   85  24.77 +/- 5.02   0.156% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 3.86, residual support = 17.8:
      O   HA    ALA   84 - HN    ALA   84   2.72 +/- 0.02  94.914% * 99.3529% (0.49  10.0   3.86  17.78) =  99.995%  kept
          HA    VAL   75 - HN    ALA   84  10.16 +/- 1.85   2.386% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA   84  16.98 +/- 2.82   0.537% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ALA   84  20.67 +/- 4.24   1.079% *  0.0568% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    ALA   84  21.44 +/- 2.88   0.368% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    ALA   84  21.46 +/- 2.98   0.288% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  17.77 +/- 3.02   0.429% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.33, residual support = 40.9:
          HB    VAL   83 - HN    ALA   84   3.44 +/- 0.28  85.789% * 97.8492% (0.99   5.33  40.92) =  99.973%  kept
          HG3   PRO   93 - HN    ALA   84  14.16 +/- 2.49   2.439% *  0.1949% (0.53   0.02   0.02) =   0.006%
          QD    LYS+  65 - HN    ALA   84  17.06 +/- 4.13   1.327% *  0.3575% (0.97   0.02   0.02) =   0.006%
          QD    LYS+ 102 - HN    ALA   84  19.46 +/- 5.18   0.924% *  0.2690% (0.73   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HN    ALA   84  14.27 +/- 2.34   1.614% *  0.1523% (0.41   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    ALA   84  13.17 +/- 2.10   2.622% *  0.0649% (0.18   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HN    ALA   84  22.60 +/- 3.05   0.454% *  0.3504% (0.95   0.02   0.02) =   0.002%
          QB    ALA   57 - HN    ALA   84  16.51 +/- 4.31   2.272% *  0.0649% (0.18   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    ALA   84  24.44 +/- 3.72   0.322% *  0.3672% (0.99   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  21.08 +/- 4.39   0.869% *  0.0924% (0.25   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    ALA   84  26.41 +/- 3.66   0.392% *  0.1803% (0.49   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   84  21.49 +/- 4.53   0.977% *  0.0572% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.16, residual support = 17.8:
      O   QB    ALA   84 - HN    ALA   84   2.02 +/- 0.07  84.442% * 98.7028% (0.87  10.0   4.16  17.78) =  99.941%  kept
          HB3   LEU   80 - HN    ALA   84   4.15 +/- 0.66  12.414% *  0.3749% (0.28   1.0   0.24   0.02) =   0.056%
          HB2   LYS+ 112 - HN    ALA   84  19.82 +/- 4.62   0.597% *  0.0870% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   84  13.63 +/- 2.03   0.438% *  0.1020% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   84  16.30 +/- 4.37   0.307% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.34 +/- 3.57   0.211% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  14.67 +/- 2.39   0.274% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.69 +/- 1.35   0.303% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  18.29 +/- 4.16   0.194% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  17.31 +/- 2.28   0.158% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.76 +/- 5.40   0.108% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  18.52 +/- 2.05   0.130% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  23.24 +/- 5.26   0.084% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  19.64 +/- 6.79   0.226% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  25.39 +/- 3.11   0.060% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.23 +/- 3.60   0.053% *  0.0199% (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 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.693, support = 5.69, residual support = 39.8:
          QG1   VAL   83 - HN    ALA   84   4.10 +/- 0.40  58.170% * 93.3214% (0.69   5.84  40.92) =  97.370%  kept
          QD2   LEU   80 - HN    ALA   84   5.56 +/- 0.86  27.000% *  5.2195% (0.95   0.24   0.02) =   2.528%  kept
          QD2   LEU  115 - HN    ALA   84  15.19 +/- 3.67   8.755% *  0.4298% (0.92   0.02   0.02) =   0.067%
          QD1   LEU   73 - HN    ALA   84  12.27 +/- 3.02   3.564% *  0.2824% (0.61   0.02   0.02) =   0.018%
          QD1   LEU  104 - HN    ALA   84  17.54 +/- 2.61   1.156% *  0.4646% (1.00   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    ALA   84  15.74 +/- 2.64   1.355% *  0.2824% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.14, residual support = 40.1:
          QG2   VAL   83 - HN    ALA   84   2.69 +/- 0.66  76.419% * 88.3011% (0.76   6.29  40.92) =  97.084%  kept
          QD1   ILE   89 - HN    ALA   84   6.11 +/- 1.44  17.926% * 11.2507% (0.49   1.26  12.73) =   2.902%  kept
          QD2   LEU   31 - HN    ALA   84  14.64 +/- 5.27   1.786% *  0.3665% (1.00   0.02   0.02) =   0.009%
          QG2   VAL   43 - HN    ALA   84   9.47 +/- 2.77   3.868% *  0.0818% (0.22   0.02   0.02) =   0.005%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.09, residual support = 19.0:
          HB2   SER   82 - HN    VAL   83   3.17 +/- 0.59  87.997% * 97.0053% (0.75   4.09  19.04) =  99.956%  kept
          HA    ALA   88 - HN    VAL   83   9.47 +/- 0.85   4.383% *  0.2685% (0.43   0.02   0.02) =   0.014%
          HA    SER   48 - HN    VAL   83  14.82 +/- 3.46   2.869% *  0.3797% (0.60   0.02   0.02) =   0.013%
          HA    GLU-  29 - HN    VAL   83  21.21 +/- 7.46   0.778% *  0.4648% (0.74   0.02   0.02) =   0.004%
          HA    GLN  116 - HN    VAL   83  22.45 +/- 4.01   1.198% *  0.2876% (0.46   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    VAL   83  20.03 +/- 4.31   0.512% *  0.4700% (0.75   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    VAL   83  18.52 +/- 3.99   0.985% *  0.1617% (0.26   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    VAL   83  24.82 +/- 6.50   0.347% *  0.4253% (0.68   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  23.04 +/- 7.63   0.562% *  0.2495% (0.40   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    VAL   83  22.34 +/- 2.75   0.370% *  0.2876% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.36 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 = 85.6:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.03  97.165% * 99.4506% (0.46  10.0   4.70  85.64) =  99.997%  kept
          HD2   PRO   58 - HN    VAL   83  22.45 +/- 4.90   0.827% *  0.1126% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    VAL   83  18.32 +/- 3.37   0.536% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    VAL   83  19.42 +/- 4.32   0.708% *  0.0863% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  20.58 +/- 6.42   0.504% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    VAL   83  23.29 +/- 4.59   0.259% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 85.6:
      O   HB    VAL   83 - HN    VAL   83   2.28 +/- 0.53  96.123% * 99.4176% (0.75  10.0   4.77  85.64) =  99.998%  kept
          QD    LYS+  65 - HN    VAL   83  17.79 +/- 4.14   0.420% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  20.10 +/- 5.50   0.419% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  14.90 +/- 2.41   0.708% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.24 +/- 2.80   0.440% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  24.76 +/- 4.33   0.157% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  24.20 +/- 3.27   0.136% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  15.21 +/- 2.23   0.617% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.83 +/- 4.56   0.474% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  23.21 +/- 4.64   0.200% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  27.94 +/- 3.93   0.096% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  23.60 +/- 4.86   0.210% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 0.02, residual support = 0.0989:
          HB2   LEU   80 - HN    VAL   83   3.79 +/- 0.75  81.162% *  2.8578% (0.19   0.02   0.15) =  61.027%  kept
          HB3   LEU   73 - HN    VAL   83  14.89 +/- 3.16   2.647% *  9.9416% (0.65   0.02   0.02) =   6.923%  kept
          QB    LEU   98 - HN    VAL   83  15.82 +/- 3.91   3.275% *  7.8727% (0.52   0.02   0.02) =   6.784%  kept
          HB2   LYS+ 112 - HN    VAL   83  21.89 +/- 4.89   2.721% *  8.7588% (0.58   0.02   0.02) =   6.269%  kept
          HG3   LYS+  65 - HN    VAL   83  19.17 +/- 4.09   1.240% * 10.5799% (0.70   0.02   0.02) =   3.451%  kept
          HB    VAL   42 - HN    VAL   83  18.38 +/- 2.67   1.144% * 10.5799% (0.70   0.02   0.02) =   3.185%  kept
          HB3   LYS+  74 - HN    VAL   83  15.17 +/- 1.80   2.062% *  4.7118% (0.31   0.02   0.02) =   2.557%  kept
          HG3   LYS+ 106 - HN    VAL   83  18.03 +/- 3.55   1.295% *  7.4142% (0.49   0.02   0.02) =   2.527%  kept
          HG3   LYS+  33 - HN    VAL   83  23.11 +/- 6.36   0.866% * 11.0607% (0.73   0.02   0.02) =   2.519%  kept
          HG3   LYS+ 102 - HN    VAL   83  22.44 +/- 5.76   0.773% *  9.5730% (0.63   0.02   0.02) =   1.946%  kept
          QB    ALA   12 - HN    VAL   83  24.88 +/- 4.19   0.480% * 10.5799% (0.70   0.02   0.02) =   1.336%  kept
          HB3   PRO   93 - HN    VAL   83  15.64 +/- 2.30   1.753% *  1.7684% (0.12   0.02   0.02) =   0.816%  kept
          HD3   LYS+ 121 - HN    VAL   83  24.64 +/- 3.96   0.582% *  4.3014% (0.28   0.02   0.02) =   0.659%  kept
    Distance limit 3.89 A violated in 1 structures by 0.23 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 5.11, residual support = 80.2:
          QG1   VAL   83 - HN    VAL   83   3.00 +/- 0.50  62.776% * 86.2988% (0.75   5.33  85.64) =  93.695%  kept
          QD2   LEU   80 - HN    VAL   83   4.30 +/- 0.86  30.367% * 11.6892% (0.31   1.74   0.15) =   6.139%  kept
          QG2   ILE   89 - HN    VAL   83   7.23 +/- 0.64   5.612% *  1.6783% (0.46   0.17   0.02) =   0.163%  kept
          QD2   LEU  115 - HN    VAL   83  16.87 +/- 3.72   0.839% *  0.1225% (0.28   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    VAL   83  18.50 +/- 2.57   0.407% *  0.2112% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.21, residual support = 85.1:
          QG2   VAL   83 - HN    VAL   83   2.98 +/- 0.52  88.433% * 93.9605% (0.74   5.24  85.64) =  99.406%  kept
          QD1   ILE   89 - HN    VAL   83   7.89 +/- 1.38   8.415% *  5.8174% (0.73   0.33   0.02) =   0.586%  kept
          QD2   LEU   31 - HN    VAL   83  14.57 +/- 6.13   3.151% *  0.2220% (0.46   0.02   0.02) =   0.008%
    Distance limit 4.11 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 = 4.0, residual support = 33.2:
      O   HB2   SER   82 - HN    SER   82   2.62 +/- 0.52  93.904% * 99.3063% (0.87  10.0   4.00  33.24) =  99.996%  kept
          HA    SER   48 - HN    SER   82  14.85 +/- 3.74   1.379% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    SER   82  23.46 +/- 4.76   0.684% *  0.1027% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    SER   82  10.61 +/- 1.11   2.069% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  22.96 +/- 7.59   0.422% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  21.55 +/- 4.30   0.269% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  26.72 +/- 6.47   0.192% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.11 +/- 2.29   0.169% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  25.06 +/- 7.56   0.295% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.72 +/- 3.77   0.474% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  27.77 +/- 4.57   0.142% *  0.0285% (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 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.39, residual support = 33.2:
      O   HB3   SER   82 - HN    SER   82   2.86 +/- 0.54  95.886% * 99.2682% (0.69  10.0   3.39  33.24) =  99.995%  kept
          HA    ILE   89 - HN    SER   82  11.40 +/- 0.76   2.027% *  0.1445% (1.00   1.0   0.02   0.02) =   0.003%
          HB    THR  118 - HN    SER   82  22.52 +/- 3.46   0.495% *  0.1157% (0.80   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    SER   82  26.20 +/- 3.94   0.193% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  27.75 +/- 3.81   0.189% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  28.32 +/- 4.73   0.154% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.52 +/- 4.12   0.551% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  22.36 +/- 6.46   0.505% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.55, residual support = 13.3:
          QB    LYS+  81 - HN    SER   82   3.11 +/- 0.33  88.491% * 96.3529% (0.97   4.55  13.27) =  99.964%  kept
          HB3   GLN   90 - HN    SER   82  11.37 +/- 2.52   2.584% *  0.4050% (0.92   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HN    SER   82  17.22 +/- 2.68   0.736% *  0.4301% (0.98   0.02   0.02) =   0.004%
          HB3   PRO   58 - HN    SER   82  24.52 +/- 5.33   2.949% *  0.0977% (0.22   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    SER   82  22.31 +/- 4.03   0.674% *  0.3806% (0.87   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    SER   82  19.84 +/- 6.54   0.958% *  0.2308% (0.53   0.02   0.02) =   0.003%
          HB2   MET   92 - HN    SER   82  15.52 +/- 2.57   1.337% *  0.1647% (0.38   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    SER   82  22.85 +/- 3.66   0.587% *  0.3353% (0.76   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  21.12 +/- 4.56   0.582% *  0.3014% (0.69   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    SER   82  22.75 +/- 5.60   0.451% *  0.3806% (0.87   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  22.94 +/- 3.54   0.334% *  0.3186% (0.73   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    SER   82  27.05 +/- 3.53   0.168% *  0.2838% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  29.40 +/- 4.41   0.148% *  0.3186% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.89, support = 3.78, residual support = 15.0:
          QG1   VAL   83 - HN    SER   82   5.07 +/- 0.61  36.508% * 81.6856% (0.95   4.47  19.04) =  78.420%  kept
          QD2   LEU   80 - HN    SER   82   4.42 +/- 1.03  47.166% * 17.3471% (0.69   1.31   0.38) =  21.515%  kept
          QG2   ILE   89 - HN    SER   82   8.17 +/- 1.08  10.004% *  0.1319% (0.34   0.02   0.02) =   0.035%
          QD1   LEU   73 - HN    SER   82  13.68 +/- 3.81   3.174% *  0.1193% (0.31   0.02   0.02) =   0.010%
          QD1   LEU  104 - HN    SER   82  20.09 +/- 2.92   1.021% *  0.3467% (0.90   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    SER   82  17.71 +/- 4.07   1.295% *  0.2501% (0.65   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    SER   82  17.97 +/- 2.63   0.833% *  0.1193% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 105.8:
      O   QB    LYS+  81 - HN    LYS+  81   2.21 +/- 0.23  93.859% * 99.1460% (0.97  10.0   5.76 105.78) =  99.996%  kept
          HB3   GLN   90 - HN    LYS+  81  11.66 +/- 2.83   1.034% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LYS+  81  23.11 +/- 5.42   2.062% *  0.0229% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  81  14.85 +/- 3.13   1.127% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.02 +/- 4.04   0.357% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  17.34 +/- 2.67   0.292% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  22.76 +/- 3.71   0.244% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.57 +/- 4.52   0.239% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  19.61 +/- 6.21   0.309% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  21.31 +/- 3.32   0.193% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  22.64 +/- 5.22   0.143% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  26.10 +/- 3.57   0.088% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  29.49 +/- 3.95   0.052% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 5.36, residual support = 105.8:
          QG    LYS+  81 - HN    LYS+  81   2.73 +/- 0.53  97.509% * 98.8675% (0.97   5.36 105.78) =  99.995%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.61 +/- 2.13   1.096% *  0.1303% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+ 106 - HN    LYS+  81  20.06 +/- 3.72   0.386% *  0.3527% (0.92   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LYS+  81  24.25 +/- 5.96   0.290% *  0.3614% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  22.11 +/- 5.00   0.353% *  0.1179% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  23.71 +/- 3.92   0.220% *  0.0851% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  25.75 +/- 3.64   0.146% *  0.0851% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.433, support = 5.84, residual support = 41.1:
          QD2   LEU   80 - HN    LYS+  81   3.93 +/- 0.78  36.621% * 77.9231% (0.53   6.03  41.17) =  74.858%  kept
          QD1   LEU   80 - HN    LYS+  81   3.49 +/- 1.07  47.439% * 20.1421% (0.15   5.31  41.17) =  25.066%  kept
          QD1   LEU   73 - HN    LYS+  81  13.24 +/- 3.68   2.434% *  0.4408% (0.90   0.02   0.02) =   0.028%
          QD2   LEU   98 - HN    LYS+  81  15.39 +/- 4.12   9.254% *  0.0758% (0.15   0.02   0.02) =   0.018%
          QD2   LEU  115 - HN    LYS+  81  16.92 +/- 4.08   1.594% *  0.2783% (0.57   0.02   0.02) =   0.012%
          QD1   LEU   63 - HN    LYS+  81  17.03 +/- 2.43   0.582% *  0.4408% (0.90   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    LYS+  81  17.34 +/- 1.81   0.540% *  0.4106% (0.84   0.02   0.02) =   0.006%
          QG2   VAL   41 - HN    LYS+  81  16.90 +/- 3.38   0.945% *  0.1367% (0.28   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LYS+  81  20.09 +/- 2.97   0.591% *  0.1517% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.46, residual support = 13.4:
          HB2   ASP-  78 - HN    GLU-  79   3.27 +/- 0.53  36.672% * 72.8152% (0.60   4.35  19.01) =  64.298%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.73 +/- 0.55  55.977% * 26.4759% (0.51   1.86   3.32) =  35.686%  kept
          QE    LYS+  65 - HN    GLU-  79  12.26 +/- 4.21   5.250% *  0.0949% (0.17   0.02   0.02) =   0.012%
          HB2   ASP-  86 - HN    GLU-  79  11.19 +/- 1.42   1.558% *  0.0462% (0.08   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    GLU-  79  18.69 +/- 3.95   0.239% *  0.1403% (0.25   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  20.10 +/- 3.55   0.186% *  0.1796% (0.32   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    GLU-  79  22.98 +/- 1.91   0.118% *  0.2479% (0.44   0.02   0.02) =   0.001%
    Distance limit 3.55 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 = 0.094, support = 4.21, residual support = 56.0:
      O   HB2   GLU-  79 - HN    GLU-  79   2.70 +/- 0.43  84.010% * 98.3341% (0.09  10.0   4.22  56.01) =  99.943%  kept
          HG2   PRO   52 - HN    GLU-  79  15.09 +/- 4.35  12.990% *  0.2857% (0.27   1.0   0.02   0.02) =   0.045%
          HB2   PRO   58 - HN    GLU-  79  18.57 +/- 5.06   1.219% *  0.5103% (0.49   1.0   0.02   0.02) =   0.008%
          HG3   GLU-  25 - HN    GLU-  79  18.95 +/- 4.21   0.462% *  0.4123% (0.39   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    GLU-  79  20.67 +/- 4.59   0.665% *  0.1419% (0.14   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLU-  79  18.90 +/- 2.60   0.426% *  0.2174% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLU-  79  24.94 +/- 3.56   0.229% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.02, residual support = 56.0:
      O   HB3   GLU-  79 - HN    GLU-  79   2.82 +/- 0.55  95.472% * 99.6469% (0.59  10.0   4.02  56.01) =  99.996%  kept
          HB2   GLN   90 - HN    GLU-  79  13.01 +/- 3.36   3.395% *  0.0789% (0.47   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    GLU-  79  20.86 +/- 3.76   0.377% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  20.06 +/- 3.85   0.409% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.65 +/- 2.75   0.212% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.40 +/- 2.07   0.135% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.486, support = 3.95, residual support = 39.1:
      O   HB3   ASP-  78 - HN    ASP-  78   2.74 +/- 0.64  87.180% * 98.7701% (0.49  10.0   3.95  39.10) =  99.921%  kept
          QE    LYS+  74 - HN    ASP-  78   8.04 +/- 1.74   6.673% *  0.8576% (0.98   1.0   0.09   0.02) =   0.066%
          QB    CYS   50 - HN    ASP-  78  10.35 +/- 3.79   5.023% *  0.1958% (0.97   1.0   0.02   0.02) =   0.011%
          HB2   PHE   72 - HN    ASP-  78  14.38 +/- 0.87   0.875% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  22.47 +/- 2.09   0.250% *  0.1313% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.966, support = 5.25, residual support = 35.6:
      O   HB2   ASP-  78 - HN    ASP-  78   2.78 +/- 0.44  61.952% * 81.4514% (0.98  10.0   5.24  39.10) =  89.907%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.77 +/- 0.69  30.819% * 18.3761% (0.84   1.0   5.30   4.61) =  10.090%  kept
          QE    LYS+  65 - HN    ASP-  78  11.61 +/- 4.38   5.322% *  0.0231% (0.28   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASP-  78  12.19 +/- 1.71   1.369% *  0.0112% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.66 +/- 3.05   0.199% *  0.0437% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  22.73 +/- 1.96   0.133% *  0.0603% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  19.81 +/- 3.05   0.206% *  0.0342% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 4.73, residual support = 28.4:
      O   HA    THR   77 - HN    ASP-  78   3.55 +/- 0.05  94.533% * 99.9219% (0.92  10.0   4.73  28.36) =  99.998%  kept
          HD2   PRO   93 - HN    ASP-  78  12.86 +/- 2.75   3.010% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  14.82 +/- 3.33   1.860% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  20.15 +/- 2.59   0.597% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 2.99, residual support = 4.61:
          HA    ASP-  76 - HN    ASP-  78   3.68 +/- 0.26  98.983% * 99.7098% (0.95   2.99   4.61) =  99.997%  kept
          HA    LEU   67 - HN    ASP-  78  18.11 +/- 2.61   1.017% *  0.2902% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.39 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 = 37.5:
      O   HA    THR   77 - HN    THR   77   2.81 +/- 0.06  97.120% * 99.8846% (0.98  10.0   4.02  37.48) =  99.998%  kept
          HD2   PRO   93 - HN    THR   77  11.59 +/- 2.88   1.899% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    THR   77  14.02 +/- 2.60   0.981% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 0.945, support = 3.88, residual support = 14.9:
          HB2   ASP-  76 - HN    THR   77   4.07 +/- 0.30  63.927% * 63.0938% (1.00   4.11  11.02) =  77.436%  kept
          HB2   ASP-  78 - HN    THR   77   5.25 +/- 0.53  32.262% * 36.4181% (0.76   3.10  28.36) =  22.557%  kept
          HB2   ASN   69 - HN    THR   77  20.64 +/- 1.86   0.558% *  0.2967% (0.97   0.02   0.02) =   0.003%
          QE    LYS+  66 - HN    THR   77  15.69 +/- 2.93   1.807% *  0.0609% (0.20   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    THR   77  19.43 +/- 2.84   0.724% *  0.0767% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    THR   77  19.01 +/- 2.34   0.722% *  0.0538% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.86 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 = 0.565, support = 3.63, residual support = 11.0:
          HB3   ASP-  76 - HN    THR   77   4.38 +/- 0.36  61.147% * 95.2536% (0.57   3.64  11.02) =  99.733%  kept
          HG3   MET   92 - HN    THR   77  12.22 +/- 4.13   5.168% *  0.9253% (1.00   0.02   0.02) =   0.082%
          QG    GLN   90 - HN    THR   77  10.44 +/- 3.27  13.710% *  0.3156% (0.34   0.02   0.02) =   0.074%
          HB2   ASP-  44 - HN    THR   77   8.79 +/- 2.47  10.787% *  0.1831% (0.20   0.02   0.02) =   0.034%
          HG12  ILE  119 - HN    THR   77  15.80 +/- 2.76   2.397% *  0.6356% (0.69   0.02   0.02) =   0.026%
          HB2   ASP- 105 - HN    THR   77  17.40 +/- 2.52   1.639% *  0.7409% (0.80   0.02   0.02) =   0.021%
          HB2   GLU-  29 - HN    THR   77  19.72 +/- 2.42   0.746% *  0.9070% (0.98   0.02   0.02) =   0.012%
          HB3   PHE   72 - HN    THR   77  13.48 +/- 0.89   2.326% *  0.2573% (0.28   0.02   0.02) =   0.010%
          HG2   GLU- 100 - HN    THR   77  23.61 +/- 2.33   0.475% *  0.4504% (0.49   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    THR   77  20.39 +/- 3.24   0.844% *  0.2060% (0.22   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR   77  20.18 +/- 2.80   0.761% *  0.1252% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 37.5:
          QG2   THR   77 - HN    THR   77   2.23 +/- 0.48  91.579% * 96.0871% (0.61   4.02  37.48) =  99.968%  kept
          HB3   LEU   80 - HN    THR   77   8.06 +/- 1.70   3.040% *  0.3241% (0.41   0.02   0.55) =   0.011%
          QB    ALA   88 - HN    THR   77  11.86 +/- 1.46   0.983% *  0.7458% (0.95   0.02   0.02) =   0.008%
          HB3   ASP-  44 - HN    THR   77   9.01 +/- 2.81   2.894% *  0.1755% (0.22   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HN    THR   77  19.01 +/- 3.54   0.383% *  0.5100% (0.65   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    THR   77  12.80 +/- 1.89   0.726% *  0.2433% (0.31   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    THR   77  22.11 +/- 1.97   0.138% *  0.7070% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    THR   77  19.09 +/- 2.68   0.170% *  0.4463% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   77  25.26 +/- 1.85   0.087% *  0.7608% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.885, support = 1.12, residual support = 1.9:
          QB    ALA   47 - HN    THR   77   7.32 +/- 2.88  48.048% * 73.9633% (0.90   1.20   2.12) =  89.695%  kept
          QG1   VAL   42 - HN    THR   77  10.46 +/- 0.83  15.592% * 24.9018% (0.80   0.45   0.02) =   9.799%  kept
          QB    ALA   64 - HN    THR   77   9.61 +/- 1.24  24.025% *  0.5172% (0.38   0.02   0.02) =   0.314%  kept
          HG2   LYS+ 112 - HN    THR   77  16.08 +/- 4.36  12.334% *  0.6178% (0.45   0.02   0.02) =   0.192%  kept
    Distance limit 4.40 A violated in 13 structures by 1.95 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 83.1:
      O   HA    VAL   75 - HN    VAL   75   2.89 +/- 0.04  86.875% * 99.8428% (0.97  10.0   5.23  83.12) =  99.994%  kept
          HA    ALA   61 - HN    VAL   75   7.72 +/- 2.53  10.654% *  0.0353% (0.34   1.0   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    VAL   75  14.32 +/- 2.86   0.971% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  12.88 +/- 2.39   1.500% *  0.0205% (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 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.843, support = 0.711, residual support = 0.942:
          HB2   ASP-  44 - HN    VAL   75   5.01 +/- 2.87  61.148% * 50.5885% (0.87   0.72   0.66) =  78.388%  kept
          HB3   PHE   72 - HN    VAL   75   7.77 +/- 0.60  19.444% * 42.8476% (0.76   0.69   2.00) =  21.112%  kept
          QG    GLU-  15 - HN    VAL   75  15.08 +/- 2.77   4.187% *  1.5307% (0.95   0.02   0.02) =   0.162%  kept
          QG    GLU-  14 - HN    VAL   75  15.85 +/- 2.90   2.882% *  1.3516% (0.84   0.02   0.02) =   0.099%
          QG    GLN   90 - HN    VAL   75  13.84 +/- 2.47   2.968% *  1.1115% (0.69   0.02   0.02) =   0.084%
          QB    MET   11 - HN    VAL   75  20.94 +/- 4.13   2.082% *  1.4512% (0.90   0.02   0.02) =   0.077%
          HG12  ILE  119 - HN    VAL   75  13.68 +/- 2.40   3.908% *  0.5520% (0.34   0.02   0.02) =   0.055%
          HG2   MET   92 - HN    VAL   75  15.04 +/- 2.84   2.501% *  0.2834% (0.18   0.02   0.02) =   0.018%
          HG3   GLU-  36 - HN    VAL   75  20.87 +/- 2.38   0.881% *  0.2834% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.62 A violated in 1 structures by 0.30 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.373, support = 3.57, residual support = 22.6:
          HB3   LYS+  74 - HN    VAL   75   4.39 +/- 0.22  36.141% * 39.7671% (0.20   4.49  31.92) =  69.133%  kept
          HG    LEU   73 - HN    VAL   75   7.11 +/- 0.91  11.362% * 53.6729% (0.76   1.57   1.79) =  29.334%  kept
          QB    ALA   61 - HN    VAL   75   7.41 +/- 1.90  12.810% *  0.8769% (0.98   0.02   0.02) =   0.540%  kept
          HG    LEU   80 - HN    VAL   75  11.62 +/- 3.80   5.934% *  0.7760% (0.87   0.02   0.11) =   0.221%  kept
          QG    LYS+  66 - HN    VAL   75  10.85 +/- 2.12   5.028% *  0.8258% (0.92   0.02   0.02) =   0.200%  kept
          HB3   LEU   67 - HN    VAL   75   9.75 +/- 1.44   4.464% *  0.8926% (1.00   0.02   0.02) =   0.192%  kept
          HG12  ILE   19 - HN    VAL   75  10.59 +/- 2.76   3.331% *  0.6837% (0.76   0.02   0.02) =   0.110%  kept
          HB3   LEU  115 - HN    VAL   75  14.13 +/- 3.30   7.750% *  0.2487% (0.28   0.02   0.02) =   0.093%
          HB2   LEU   80 - HN    VAL   75  10.78 +/- 2.42   3.991% *  0.3052% (0.34   0.02   0.11) =   0.059%
          HG    LEU   67 - HN    VAL   75  10.65 +/- 2.08   5.329% *  0.1770% (0.20   0.02   0.02) =   0.045%
          QB    ALA  110 - HN    VAL   75  16.77 +/- 3.00   0.947% *  0.7473% (0.84   0.02   0.02) =   0.034%
          HG    LEU   40 - HN    VAL   75  12.56 +/- 1.17   1.652% *  0.2487% (0.28   0.02   0.02) =   0.020%
          HG2   LYS+ 102 - HN    VAL   75  20.53 +/- 2.24   0.394% *  0.5787% (0.65   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    VAL   75  17.09 +/- 3.49   0.866% *  0.1992% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.47 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 = 5.91, residual support = 31.9:
          HG2   LYS+  74 - HN    VAL   75   3.46 +/- 0.66  78.322% * 95.4043% (0.45   5.92  31.92) =  99.861%  kept
          HG13  ILE   19 - HN    VAL   75  10.52 +/- 3.00   4.642% *  0.4940% (0.69   0.02   0.02) =   0.031%
          QG2   ILE   56 - HN    VAL   75  12.51 +/- 1.92   2.784% *  0.6238% (0.87   0.02   0.02) =   0.023%
          QG2   THR   39 - HN    VAL   75  12.68 +/- 1.43   2.124% *  0.6940% (0.97   0.02   0.02) =   0.020%
          QB    ALA   34 - HN    VAL   75  12.00 +/- 1.62   2.740% *  0.4940% (0.69   0.02   0.02) =   0.018%
          QB    ALA   91 - HN    VAL   75  13.38 +/- 2.46   1.896% *  0.6940% (0.97   0.02   0.02) =   0.018%
          QG2   THR   23 - HN    VAL   75  11.02 +/- 1.75   4.204% *  0.2453% (0.34   0.02   0.02) =   0.014%
          HG    LEU   71 - HN    VAL   75  12.83 +/- 1.05   2.065% *  0.2956% (0.41   0.02   0.02) =   0.008%
          HG3   LYS+  38 - HN    VAL   75  20.72 +/- 1.74   0.493% *  0.7049% (0.98   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    VAL   75  17.75 +/- 1.42   0.731% *  0.3500% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.49 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 = 0.932, support = 4.51, residual support = 81.6:
      O   HB    VAL   75 - HN    VAL   75   2.45 +/- 0.51  76.314% * 85.5828% (0.95  10.0   4.45  83.12) =  96.956%  kept
          HG3   LYS+  74 - HN    VAL   75   4.71 +/- 0.63  14.398% * 14.2050% (0.49   1.0   6.45  31.92) =   3.036%  kept
          QD1   LEU   67 - HN    VAL   75   7.73 +/- 1.66   5.271% *  0.0657% (0.73   1.0   0.02   0.02) =   0.005%
          QD2   LEU   40 - HN    VAL   75  11.07 +/- 1.04   1.280% *  0.0691% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   75  13.21 +/- 1.68   0.846% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  11.64 +/- 2.06   1.891% *  0.0226% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 0.521, support = 1.59, residual support = 1.53:
          QD2   LEU   73 - HN    VAL   75   5.43 +/- 1.36  26.188% * 61.7953% (0.41   2.10   1.79) =  71.522%  kept
          QG2   THR   46 - HN    VAL   75   6.48 +/- 3.48  20.000% * 18.0257% (0.69   0.37   1.56) =  15.933%  kept
          QG1   VAL   43 - HN    VAL   75   6.85 +/- 2.47  15.722% * 15.7070% (0.97   0.23   0.02) =  10.914%  kept
          QG2   VAL   18 - HN    VAL   75   6.30 +/- 3.47  23.605% *  1.1454% (0.80   0.02   0.02) =   1.195%  kept
          QG1   VAL   41 - HN    VAL   75  10.51 +/- 1.71   3.201% *  1.4273% (1.00   0.02   0.02) =   0.202%  kept
          QD1   ILE   19 - HN    VAL   75   9.59 +/- 2.08   5.178% *  0.4879% (0.34   0.02   0.02) =   0.112%  kept
          HG    LEU   31 - HN    VAL   75  12.37 +/- 2.27   1.909% *  0.8099% (0.57   0.02   0.02) =   0.068%
          QD1   ILE   56 - HN    VAL   75  11.60 +/- 1.97   2.970% *  0.2831% (0.20   0.02   0.02) =   0.037%
          QD2   LEU  104 - HN    VAL   75  14.18 +/- 1.40   1.227% *  0.3185% (0.22   0.02   0.02) =   0.017%
    Distance limit 4.49 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 = 0.922, support = 5.23, residual support = 83.1:
          QG1   VAL   75 - HN    VAL   75   3.49 +/- 0.19  81.346% * 99.6847% (0.92   5.23  83.12) =  99.928%  kept
          QD1   LEU  115 - HN    VAL   75  10.82 +/- 2.82  18.654% *  0.3153% (0.76   0.02   0.02) =   0.072%
    Distance limit 4.53 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 = 4.99, residual support = 83.1:
          QG2   VAL   75 - HN    VAL   75   2.88 +/- 0.56  88.774% * 99.5167% (0.49   5.00  83.12) =  99.969%  kept
          QG2   VAL   42 - HN    VAL   75   8.30 +/- 1.51   5.653% *  0.2792% (0.34   0.02   0.02) =   0.018%
          QD1   ILE   89 - HN    VAL   75   8.42 +/- 1.52   5.573% *  0.2041% (0.25   0.02   0.02) =   0.013%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.689, support = 4.36, residual support = 181.8:
      O   HB3   LYS+  74 - HN    LYS+  74   2.58 +/- 0.32  51.070% * 89.1534% (0.71  10.0   4.34 186.70) =  96.745%  kept
          HB3   LEU   73 - HN    LYS+  74   3.19 +/- 0.84  33.830% *  3.7502% (0.11   1.0   5.44  41.48) =   2.696%  kept
          HG12  ILE   19 - HN    LYS+  74   7.39 +/- 2.71   3.933% *  6.5957% (0.43   1.0   2.43   8.40) =   0.551%  kept
          QB    ALA   61 - HN    LYS+  74   8.70 +/- 1.93   2.681% *  0.0276% (0.22   1.0   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    LYS+  74  12.44 +/- 2.31   0.715% *  0.0775% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LYS+  74  12.53 +/- 2.84   0.623% *  0.0862% (0.68   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LYS+  74  13.04 +/- 4.35   0.889% *  0.0435% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  74   9.55 +/- 1.83   2.050% *  0.0177% (0.14   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  18.66 +/- 4.33   0.311% *  0.0894% (0.71   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+  74   9.29 +/- 1.81   1.461% *  0.0177% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  15.09 +/- 2.73   0.419% *  0.0542% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  10.30 +/- 1.27   1.103% *  0.0177% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.64 +/- 2.62   0.622% *  0.0223% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  19.41 +/- 3.42   0.294% *  0.0470% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.91, residual support = 41.5:
          QD2   LEU   73 - HN    LYS+  74   3.92 +/- 0.61  88.194% * 97.3244% (0.20   5.91  41.48) =  99.932%  kept
          QD1   ILE   56 - HN    LYS+  74  14.14 +/- 2.51   3.643% *  0.6233% (0.37   0.02   0.02) =   0.026%
          HG3   LYS+ 121 - HN    LYS+  74  19.71 +/- 4.13   1.395% *  1.1742% (0.70   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    LYS+  74  10.57 +/- 1.42   5.605% *  0.2075% (0.12   0.02   0.02) =   0.014%
          QD2   LEU  123 - HN    LYS+  74  18.51 +/- 2.68   1.164% *  0.6707% (0.40   0.02   0.02) =   0.009%
    Distance limit 3.88 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 = 0.635, support = 5.65, residual support = 41.5:
          HB2   LEU   73 - HN    LYS+  74   3.09 +/- 0.75  88.385% * 97.9406% (0.64   5.65  41.48) =  99.968%  kept
          QD    LYS+ 106 - HN    LYS+  74  16.23 +/- 2.47   1.759% *  0.3830% (0.70   0.02   0.02) =   0.008%
          QG1   ILE   56 - HN    LYS+  74  14.56 +/- 1.94   2.325% *  0.2188% (0.40   0.02   0.02) =   0.006%
          QD    LYS+  99 - HN    LYS+  74  16.46 +/- 1.60   1.067% *  0.3856% (0.71   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    LYS+  74  17.12 +/- 2.83   1.341% *  0.2953% (0.54   0.02   0.02) =   0.005%
          HG3   PRO   93 - HN    LYS+  74  16.91 +/- 2.65   2.057% *  0.1318% (0.24   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    LYS+  74  17.01 +/- 2.35   1.196% *  0.1733% (0.32   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    LYS+  74  24.43 +/- 3.38   0.517% *  0.2500% (0.46   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LYS+  74  21.53 +/- 3.07   0.644% *  0.1450% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  18.94 +/- 2.72   0.708% *  0.0765% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.558, support = 0.02, residual support = 0.0306:
          HB    VAL   41 - HN    LYS+  74  10.36 +/- 2.77  22.205% * 15.4986% (0.71   0.02   0.02) =  32.661%  kept
          QB    LYS+  66 - HN    LYS+  74  11.56 +/- 1.45  11.972% * 14.9905% (0.68   0.02   0.02) =  17.032%  kept
          QB    LYS+  65 - HN    LYS+  74   8.88 +/- 1.40  27.425% *  6.3858% (0.29   0.02   0.02) =  16.621%  kept
          HG12  ILE  103 - HN    LYS+  74  15.67 +/- 2.74   7.281% * 14.6936% (0.67   0.02   0.02) =  10.154%  kept
          HB2   LEU   71 - HN    LYS+  74  10.30 +/- 0.97  16.939% *  5.8297% (0.27   0.02   0.13) =   9.372%  kept
          HG2   PRO   93 - HN    LYS+  74  17.08 +/- 2.60   4.439% * 11.8708% (0.54   0.02   0.02) =   5.001%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.04 +/- 2.36   4.292% *  8.1723% (0.37   0.02   0.02) =   3.329%  kept
          HB3   PRO   52 - HN    LYS+  74  20.11 +/- 2.48   3.092% * 11.2793% (0.51   0.02   0.02) =   3.310%  kept
          HG    LEU  123 - HN    LYS+  74  21.30 +/- 2.98   2.354% * 11.2793% (0.51   0.02   0.02) =   2.520%  kept
    Distance limit 4.62 A violated in 19 structures by 2.76 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.773, support = 5.08, residual support = 39.4:
          HB3   PHE   72 - HN    LEU   73   3.71 +/- 0.42  70.441% * 70.9306% (0.76   5.39  42.98) =  91.437%  kept
          HB2   ASP-  44 - HN    LEU   73   7.40 +/- 2.28  16.798% * 27.6712% (0.87   1.85   1.48) =   8.506%  kept
          QG    GLU-  15 - HN    LEU   73  11.59 +/- 3.01   3.505% *  0.3261% (0.95   0.02   0.02) =   0.021%
          QG    GLU-  14 - HN    LEU   73  13.20 +/- 2.84   3.125% *  0.2879% (0.84   0.02   0.02) =   0.016%
          QB    MET   11 - HN    LEU   73  18.02 +/- 3.94   1.753% *  0.3091% (0.90   0.02   0.02) =   0.010%
          QG    GLN   90 - HN    LEU   73  16.89 +/- 1.81   0.875% *  0.2368% (0.69   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    LEU   73  15.12 +/- 2.90   1.494% *  0.1176% (0.34   0.02   0.02) =   0.003%
          HG3   GLU-  36 - HN    LEU   73  15.66 +/- 2.47   1.287% *  0.0604% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  18.59 +/- 2.60   0.721% *  0.0604% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.58 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 = 6.2, residual support = 172.6:
      O   HB2   LEU   73 - HN    LEU   73   3.38 +/- 0.22  86.501% * 99.3783% (0.99  10.0   6.20 172.65) =  99.992%  kept
          QD    LYS+  99 - HN    LEU   73  13.70 +/- 2.25   1.603% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    LEU   73  14.43 +/- 2.56   1.510% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    LEU   73  16.96 +/- 2.83   1.366% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    LEU   73  17.38 +/- 2.65   0.852% *  0.0994% (0.99   1.0   0.02   0.02) =   0.001%
          QG1   ILE   56 - HN    LEU   73  14.36 +/- 2.38   2.710% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  16.58 +/- 2.83   1.054% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  19.97 +/- 2.88   0.561% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  23.80 +/- 3.69   0.375% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.96 +/- 3.12   1.756% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  14.14 +/- 2.07   1.713% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.447, support = 6.15, residual support = 156.9:
      O   HB3   LEU   73 - HN    LEU   73   3.03 +/- 0.43  52.324% * 61.0010% (0.41  10.0   6.47 172.65) =  89.061%  kept
          HB3   LYS+  74 - HN    LEU   73   6.33 +/- 0.93  10.749% * 25.0594% (0.87   1.0   3.89  41.48) =   7.516%  kept
          HB    VAL   42 - HN    LEU   73   6.63 +/- 1.94   8.852% * 12.0167% (0.49   1.0   3.33   0.51) =   2.968%  kept
          HG12  ILE   19 - HN    LEU   73   6.46 +/- 3.07  14.214% *  1.0590% (0.28   1.0   0.51   5.40) =   0.420%  kept
          QB    LEU   98 - HN    LEU   73  10.01 +/- 2.88   2.959% *  0.1481% (1.00   1.0   0.02   0.02) =   0.012%
          HG3   LYS+  33 - HN    LEU   73  10.13 +/- 3.18   2.794% *  0.0840% (0.57   1.0   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    LEU   73  10.51 +/- 1.54   1.925% *  0.0722% (0.49   1.0   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    LEU   73  14.17 +/- 3.75   1.114% *  0.1019% (0.69   1.0   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    LEU   73  15.00 +/- 2.62   0.696% *  0.1370% (0.92   1.0   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    LEU   73  16.29 +/- 4.60   0.736% *  0.1239% (0.84   1.0   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    LEU   73  14.66 +/- 5.29   1.802% *  0.0294% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   73  19.74 +/- 4.17   0.472% *  0.0458% (0.31   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  14.79 +/- 2.67   0.625% *  0.0330% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  18.33 +/- 3.11   0.336% *  0.0557% (0.38   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   73  18.82 +/- 3.40   0.404% *  0.0330% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 7.9, residual support = 170.3:
          QD2   LEU   73 - HN    LEU   73   1.96 +/- 0.62  72.082% * 87.3383% (0.98   7.97 172.65) =  98.625%  kept
          QG1   VAL   43 - HN    LEU   73   6.58 +/- 2.86   7.117% * 11.0388% (0.38   2.63   4.69) =   1.231%  kept
          QG1   VAL   41 - HN    LEU   73   6.66 +/- 2.56   6.338% *  0.9846% (0.57   0.16   0.02) =   0.098%
          HG    LEU   31 - HN    LEU   73   7.88 +/- 2.14   8.487% *  0.2230% (1.00   0.02   2.00) =   0.030%
          QG2   VAL   18 - HN    LEU   73   6.23 +/- 2.61   5.246% *  0.1807% (0.20   0.08   0.94) =   0.015%
          QD1   ILE   56 - HN    LEU   73  14.01 +/- 2.76   0.542% *  0.1790% (0.80   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LEU   73  17.32 +/- 4.48   0.188% *  0.0557% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.575, support = 5.94, residual support = 157.8:
          QD1   LEU   73 - HN    LEU   73   3.50 +/- 0.62  46.760% * 70.4432% (0.57   6.43 172.65) =  91.409%  kept
          QG2   VAL   41 - HN    LEU   73   6.07 +/- 2.67  23.758% *  8.8027% (0.61   0.75   0.02) =   5.804%  kept
          QD2   LEU   63 - HN    LEU   73   9.02 +/- 1.27   4.563% * 12.8859% (1.00   0.67   0.02) =   1.632%  kept
          QD1   LEU   63 - HN    LEU   73   9.41 +/- 1.61   5.323% *  7.3677% (0.57   0.67   0.02) =   1.088%  kept
          QD2   LEU   98 - HN    LEU   73   8.87 +/- 2.72   5.575% *  0.1590% (0.41   0.02   0.02) =   0.025%
          QD2   LEU  115 - HN    LEU   73  13.33 +/- 3.19   7.278% *  0.0964% (0.25   0.02   0.02) =   0.019%
          QD1   LEU   80 - HN    LEU   73  12.80 +/- 4.67   3.251% *  0.1590% (0.41   0.02   0.02) =   0.014%
          QD2   LEU   80 - HN    LEU   73  12.43 +/- 4.28   3.492% *  0.0861% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.37 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 = 0.688, support = 2.47, residual support = 2.76:
          QB    ALA   64 - HN    LEU   73   5.14 +/- 0.64  52.753% * 83.2985% (0.73   2.73   3.12) =  86.240%  kept
          QG1   VAL   42 - HN    LEU   73   5.85 +/- 1.75  43.522% * 16.0779% (0.45   0.85   0.51) =  13.733%  kept
          QB    ALA   47 - HN    LEU   73  14.16 +/- 1.49   2.439% *  0.4762% (0.57   0.02   0.02) =   0.023%
          HG2   LYS+ 112 - HN    LEU   73  19.46 +/- 4.77   1.286% *  0.1473% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.75 A violated in 0 structures by 0.15 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.282, support = 1.66, residual support = 4.54:
          QG2   VAL   43 - HN    LEU   73   6.02 +/- 2.72  44.563% * 90.9067% (0.25   1.74   4.69) =  95.203%  kept
          QD2   LEU   31 - HN    LEU   73   6.22 +/- 2.08  39.373% *  4.1818% (1.00   0.02   2.00) =   3.869%  kept
          QG2   VAL   83 - HN    LEU   73  11.03 +/- 2.41   8.054% *  3.0366% (0.73   0.02   0.02) =   0.575%  kept
          QD1   ILE   89 - HN    LEU   73  10.56 +/- 1.41   8.009% *  1.8748% (0.45   0.02   0.02) =   0.353%  kept
    Distance limit 4.62 A violated in 3 structures by 0.43 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.574, support = 4.72, residual support = 85.5:
      O   HB2   PHE   72 - HN    PHE   72   3.65 +/- 0.35  63.869% * 79.5414% (0.53  10.0   4.95  90.29) =  89.170%  kept
          HA    ALA   64 - HN    PHE   72   5.25 +/- 1.08  30.232% * 20.4054% (0.97   1.0   2.80  46.06) =  10.828%  kept
          HB3   ASN   69 - HN    PHE   72   9.11 +/- 0.70   4.687% *  0.0233% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.13 +/- 2.08   1.213% *  0.0299% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 5.24, residual support = 90.3:
      O   HB3   PHE   72 - HN    PHE   72   3.16 +/- 0.22  72.156% * 99.3598% (0.76  10.0   5.24  90.29) =  99.962%  kept
          HB2   ASP-  44 - HN    PHE   72   8.21 +/- 2.28  13.773% *  0.1128% (0.87   1.0   0.02   0.02) =   0.022%
          QG    GLU-  15 - HN    PHE   72   9.57 +/- 3.05   3.961% *  0.1230% (0.95   1.0   0.02   0.02) =   0.007%
          QG    GLU-  14 - HN    PHE   72  11.58 +/- 2.96   2.471% *  0.1086% (0.84   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    PHE   72  14.33 +/- 3.22   4.083% *  0.0443% (0.34   1.0   0.02   0.02) =   0.003%
          QB    MET   11 - HN    PHE   72  16.99 +/- 3.50   1.345% *  0.1166% (0.90   1.0   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    PHE   72  18.93 +/- 2.05   0.389% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  14.60 +/- 2.97   1.227% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.06 +/- 3.35   0.595% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.983, support = 3.81, residual support = 18.4:
          HG    LEU   71 - HN    PHE   72   5.16 +/- 0.65  34.329% * 89.6373% (0.99   3.96  19.16) =  96.033%  kept
          QG2   THR   39 - HN    PHE   72   7.03 +/- 2.13  18.975% *  3.4184% (0.65   0.23   0.02) =   2.024%  kept
          HG2   LYS+  74 - HN    PHE   72   8.66 +/- 1.31   9.238% *  5.1423% (1.00   0.23   1.24) =   1.483%  kept
          HG13  ILE   19 - HN    PHE   72   6.44 +/- 2.77  29.320% *  0.4323% (0.95   0.02   0.11) =   0.396%  kept
          HG3   LYS+  99 - HN    PHE   72  13.53 +/- 3.67   2.336% *  0.4570% (1.00   0.02   0.02) =   0.033%
          HG3   LYS+  38 - HN    PHE   72  14.17 +/- 1.80   1.858% *  0.1715% (0.38   0.02   0.02) =   0.010%
          QB    ALA   91 - HN    PHE   72  17.72 +/- 2.30   0.902% *  0.2956% (0.65   0.02   0.02) =   0.008%
          HG12  ILE   89 - HN    PHE   72  16.58 +/- 2.00   1.169% *  0.1879% (0.41   0.02   0.02) =   0.007%
          QG2   ILE   56 - HN    PHE   72  14.80 +/- 1.81   1.537% *  0.1017% (0.22   0.02   0.02) =   0.005%
          HG3   LYS+ 111 - HN    PHE   72  24.17 +/- 2.79   0.337% *  0.1559% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.12 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.933, support = 5.04, residual support = 19.5:
          QD2   LEU   71 - HN    PHE   72   3.86 +/- 0.28  47.749% * 89.5418% (0.97   5.23  19.16) =  95.053%  kept
          QD1   LEU   67 - HN    PHE   72   5.44 +/- 1.70  28.153% *  7.4141% (0.31   1.35  27.86) =   4.640%  kept
          HG3   LYS+  74 - HN    PHE   72   9.26 +/- 1.25   5.140% *  2.1038% (0.53   0.23   1.24) =   0.240%  kept
          QD2   LEU   40 - HN    PHE   72   6.91 +/- 1.11  12.977% *  0.0986% (0.28   0.02   0.02) =   0.028%
          QG2   ILE  119 - HN    PHE   72  13.20 +/- 2.56   2.444% *  0.3422% (0.97   0.02   0.02) =   0.019%
          QD1   ILE  103 - HN    PHE   72  13.11 +/- 1.86   1.616% *  0.3538% (1.00   0.02   0.02) =   0.013%
          QG2   ILE  103 - HN    PHE   72  13.02 +/- 2.15   1.921% *  0.1458% (0.41   0.02   0.02) =   0.006%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.21, residual support = 33.6:
          HB    VAL   70 - HN    LEU   71   4.20 +/- 0.25  70.916% * 96.4414% (0.98   6.24  33.81) =  99.385%  kept
          QG    GLN   17 - HN    LEU   71   8.22 +/- 2.48  14.342% *  2.8295% (1.00   0.18   0.02) =   0.590%  kept
          HB2   MET   96 - HN    LEU   71  12.79 +/- 2.44   3.084% *  0.2038% (0.65   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    LEU   71  11.08 +/- 1.68   5.445% *  0.0876% (0.28   0.02   0.02) =   0.007%
          HG2   GLU- 100 - HN    LEU   71  13.42 +/- 5.26   4.198% *  0.0702% (0.22   0.02   0.02) =   0.004%
          HB2   GLU-  25 - HN    LEU   71  18.83 +/- 1.52   0.860% *  0.3123% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.78 +/- 0.72   1.155% *  0.0552% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.47 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 = 0.979, support = 6.34, residual support = 137.9:
      O   HB2   LEU   71 - HN    LEU   71   2.80 +/- 0.48  84.248% * 96.4394% (0.98  10.0   6.35 138.26) =  99.764%  kept
          HB    VAL   41 - HN    LEU   71   7.75 +/- 2.02   5.918% *  3.1309% (0.45   1.0   1.42   2.81) =   0.227%  kept
          HB3   GLN   17 - HN    LEU   71   9.37 +/- 2.37   3.676% *  0.0518% (0.53   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    LEU   71  10.66 +/- 0.64   1.924% *  0.0975% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU   71  10.35 +/- 0.75   2.216% *  0.0636% (0.65   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   71  15.23 +/- 3.41   0.667% *  0.0982% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  19.84 +/- 2.84   0.470% *  0.0882% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  14.37 +/- 3.18   0.881% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 5.72, residual support = 133.3:
          HG    LEU   71 - HN    LEU   71   3.49 +/- 0.42  51.189% * 80.1320% (0.99   5.91 138.26) =  96.432%  kept
          HG13  ILE   19 - HN    LEU   71   8.37 +/- 2.24   6.054% * 14.9843% (0.95   1.16   0.64) =   2.133%  kept
          QG2   THR   39 - HN    LEU   71   5.07 +/- 2.39  35.149% *  1.5859% (0.65   0.18   0.17) =   1.310%  kept
          HG2   LYS+  74 - HN    LEU   71  12.24 +/- 1.33   1.719% *  2.4774% (1.00   0.18   0.13) =   0.100%  kept
          HG3   LYS+  99 - HN    LEU   71  11.62 +/- 5.26   2.511% *  0.2738% (1.00   0.02   0.02) =   0.016%
          HG3   LYS+  38 - HN    LEU   71  11.55 +/- 1.89   1.398% *  0.1027% (0.38   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    LEU   71  19.19 +/- 2.40   0.465% *  0.1771% (0.65   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    LEU   71  15.87 +/- 2.38   0.895% *  0.0609% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  18.56 +/- 1.86   0.443% *  0.1125% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  25.28 +/- 3.05   0.177% *  0.0934% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.15 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.899, support = 5.88, residual support = 90.9:
          QD1   LEU   71 - HN    LEU   71   3.27 +/- 0.91  50.143% * 40.5034% (0.84   6.08 138.26) =  55.765%  kept
          QG1   VAL   70 - HN    LEU   71   4.14 +/- 0.43  31.881% * 46.6781% (0.98   5.98  33.81) =  40.862%  kept
          QG1   VAL   18 - HN    LEU   71   7.30 +/- 2.25  11.506% *  9.9176% (1.00   1.24   0.02) =   3.133%  kept
          HB3   LEU   63 - HN    LEU   71  10.23 +/- 2.03   3.162% *  2.6587% (0.69   0.49   0.02) =   0.231%  kept
          QD1   LEU  123 - HN    LEU   71  13.84 +/- 3.54   1.508% *  0.1331% (0.84   0.02   0.02) =   0.006%
          HB3   LEU  104 - HN    LEU   71  13.74 +/- 4.61   1.410% *  0.0776% (0.49   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    LEU   71  18.71 +/- 2.42   0.390% *  0.0315% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 6.37, residual support = 33.8:
          QG2   VAL   70 - HN    LEU   71   2.89 +/- 0.41 100.000% *100.0000% (0.73   6.37  33.81) = 100.000%  kept
    Distance limit 3.27 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 = 79.6:
      O   HB    VAL   70 - HN    VAL   70   2.75 +/- 0.36  88.697% * 99.6297% (0.76  10.0   4.31  79.58) =  99.988%  kept
          QG    GLN   17 - HN    VAL   70   8.23 +/- 2.51   8.598% *  0.1089% (0.84   1.0   0.02   0.02) =   0.011%
          HB2   LYS+  38 - HN    VAL   70  13.51 +/- 2.24   1.159% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   70  14.01 +/- 2.03   0.922% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.21 +/- 1.53   0.238% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.04 +/- 2.27   0.385% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.797, support = 0.711, residual support = 6.38:
          HB3   LEU   67 - HN    VAL   70   4.48 +/- 1.06  33.426% * 31.6651% (0.87   0.80   0.28) =  61.956%  kept
          HG    LEU   40 - HN    VAL   70   6.82 +/- 1.35  11.371% * 25.7601% (0.61   0.93  35.94) =  17.145%  kept
          HG    LEU   67 - HN    VAL   70   4.78 +/- 1.43  29.534% *  5.2772% (0.49   0.24   0.28) =   9.123%  kept
          QG    LYS+  66 - HN    VAL   70   8.05 +/- 1.09  11.296% * 12.5330% (0.98   0.28   0.02) =   8.287%  kept
          HG    LEU   73 - HN    VAL   70  11.83 +/- 1.03   2.340% * 19.6081% (0.99   0.43   0.67) =   2.685%  kept
          HG12  ILE   19 - HN    VAL   70  10.45 +/- 2.29   4.000% *  2.1473% (0.41   0.11   0.14) =   0.503%  kept
          QB    ALA   61 - HN    VAL   70  10.07 +/- 1.58   5.846% *  0.6639% (0.73   0.02   0.02) =   0.227%  kept
          HB3   LEU  115 - HN    VAL   70  17.11 +/- 2.51   0.930% *  0.5545% (0.61   0.02   0.02) =   0.030%
          HG2   LYS+ 102 - HN    VAL   70  19.95 +/- 3.72   0.420% *  0.8648% (0.95   0.02   0.02) =   0.021%
          QB    ALA  110 - HN    VAL   70  20.16 +/- 2.38   0.459% *  0.4450% (0.49   0.02   0.02) =   0.012%
          HG    LEU   80 - HN    VAL   70  21.59 +/- 3.94   0.380% *  0.4810% (0.53   0.02   0.02) =   0.011%
    Distance limit 4.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.928, support = 4.72, residual support = 76.5:
          QG1   VAL   70 - HN    VAL   70   2.30 +/- 0.46  79.830% * 53.1536% (0.92   4.79  79.58) =  93.263%  kept
          QD1   LEU   71 - HN    VAL   70   5.85 +/- 0.99   6.597% * 46.1224% (1.00   3.84  33.81) =   6.688%  kept
          QG1   VAL   18 - HN    VAL   70   7.53 +/- 2.74   7.646% *  0.2008% (0.84   0.02   0.02) =   0.034%
          HB3   LEU   63 - HN    VAL   70   8.13 +/- 1.68   4.371% *  0.0820% (0.34   0.02   0.02) =   0.008%
          QD1   LEU  123 - HN    VAL   70  12.36 +/- 3.92   0.927% *  0.2404% (1.00   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    VAL   70  14.88 +/- 4.44   0.628% *  0.2008% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.70 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 = 79.6:
          QG2   VAL   70 - HN    VAL   70   3.71 +/- 0.18 100.000% *100.0000% (0.98   3.89  79.58) = 100.000%  kept
    Distance limit 4.13 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 = 2.97, residual support = 59.3:
      O   HB2   ASN   69 - HD22  ASN   69   3.73 +/- 0.38  88.169% * 99.7633% (0.55  10.0   2.97  59.26) =  99.996%  kept
          QE    LYS+  66 - HD22  ASN   69  11.45 +/- 2.40   7.434% *  0.0227% (0.12   1.0   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD22  ASN   69  13.97 +/- 3.39   2.795% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD22  ASN   69  21.52 +/- 2.13   0.561% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.80 +/- 2.15   0.348% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.34 +/- 3.31   0.694% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.559, support = 3.18, residual support = 24.8:
          QG1   VAL   70 - HD22  ASN   69   4.14 +/- 1.22  53.581% * 92.2000% (0.56   3.27  25.51) =  97.235%  kept
          QD1   LEU   71 - HD22  ASN   69   7.42 +/- 1.70  21.290% *  6.0556% (0.53   0.23   0.02) =   2.537%  kept
          QD1   LEU  123 - HD22  ASN   69  12.40 +/- 4.89  12.147% *  0.5351% (0.53   0.02   0.02) =   0.128%  kept
          QG1   VAL   18 - HD22  ASN   69  10.85 +/- 2.19   3.814% *  0.5459% (0.54   0.02   0.02) =   0.041%
          HB3   LEU   63 - HD22  ASN   69  10.49 +/- 2.33   5.766% *  0.2976% (0.30   0.02   0.02) =   0.034%
          HB3   LEU  104 - HD22  ASN   69  14.90 +/- 5.81   3.402% *  0.3659% (0.36   0.02   0.02) =   0.025%
    Distance limit 4.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   3.65 +/- 0.63 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 30.9:
          HD2   PRO   68 - HN    ASN   69   2.99 +/- 0.62  93.609% * 99.1834% (0.80   5.97  30.95) =  99.981%  kept
          HA    ALA   61 - HN    ASN   69  11.25 +/- 1.70   2.785% *  0.3925% (0.95   0.02   0.02) =   0.012%
          HA    VAL   75 - HN    ASN   69  14.99 +/- 1.91   2.779% *  0.1557% (0.38   0.02   0.02) =   0.005%
          HD3   PRO   58 - HN    ASN   69  17.44 +/- 1.97   0.827% *  0.2684% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.62 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 = 30.9:
          HD3   PRO   68 - HN    ASN   69   3.62 +/- 0.72  89.790% * 98.4641% (0.99   5.97  30.95) =  99.965%  kept
          HD2   ARG+  54 - HN    ASN   69  22.09 +/- 6.50   4.247% *  0.3072% (0.92   0.02   0.02) =   0.015%
          QB    PHE   55 - HN    ASN   69  18.64 +/- 3.08   1.736% *  0.3212% (0.97   0.02   0.02) =   0.006%
          HB2   PHE   59 - HN    ASN   69  14.86 +/- 1.77   2.086% *  0.2543% (0.76   0.02   0.02) =   0.006%
          HB3   CYS   53 - HN    ASN   69  19.42 +/- 3.73   1.515% *  0.3212% (0.97   0.02   0.02) =   0.006%
          HD3   PRO   93 - HN    ASN   69  21.32 +/- 3.01   0.626% *  0.3320% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.50 +/- 1.29  30.135% * 39.8620% (0.87   0.02   0.02) =  50.519%  kept
          HA    ALA   64 - HN    ASN   69   6.26 +/- 1.04  64.022% * 14.1837% (0.31   0.02   0.02) =  38.189%  kept
          HB3   ASN   35 - HN    ASN   69  17.02 +/- 3.45   5.842% * 45.9543% (1.00   0.02   0.02) =  11.291%  kept
    Distance limit 3.97 A violated in 15 structures by 2.05 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.155, support = 3.82, residual support = 25.4:
          HB    VAL   70 - HN    ASN   69   4.52 +/- 0.60  66.917% * 89.1745% (0.15   3.84  25.51) =  99.531%  kept
          QG    GLN   17 - HN    ASN   69   8.93 +/- 2.51  16.009% *  0.5958% (0.20   0.02   0.02) =   0.159%  kept
          HB2   LYS+  38 - HN    ASN   69  14.43 +/- 2.46   2.650% *  2.9838% (0.99   0.02   0.02) =   0.132%  kept
          QB    GLU-  36 - HN    ASN   69  14.17 +/- 4.34  10.507% *  0.5272% (0.18   0.02   0.02) =   0.092%
          HG3   GLU-  29 - HN    ASN   69  20.71 +/- 2.54   0.863% *  2.4106% (0.80   0.02   0.02) =   0.035%
          HB3   GLU-  29 - HN    ASN   69  19.46 +/- 2.66   1.068% *  1.2376% (0.41   0.02   0.02) =   0.022%
          HB2   GLN   90 - HN    ASN   69  25.60 +/- 2.03   0.487% *  1.8259% (0.61   0.02   0.02) =   0.015%
          HB2   GLU-  25 - HN    ASN   69  22.93 +/- 1.85   0.607% *  0.8370% (0.28   0.02   0.02) =   0.008%
          HB3   GLU-  79 - HN    ASN   69  20.56 +/- 2.30   0.892% *  0.4074% (0.14   0.02   0.02) =   0.006%
    Distance limit 4.72 A violated in 0 structures by 0.13 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.948, support = 6.03, residual support = 30.9:
      O   HB3   PRO   68 - HN    ASN   69   4.24 +/- 0.54  33.889% * 95.4495% (0.99  10.0   6.03  30.95) =  95.007%  kept
          HG2   PRO   68 - HN    ASN   69   3.91 +/- 1.09  42.894% *  3.9301% (0.14   1.0   6.03  30.95) =   4.951%  kept
          HB2   GLN   17 - HN    ASN   69  10.13 +/- 2.78   8.944% *  0.0699% (0.73   1.0   0.02   0.02) =   0.018%
          QB    GLU-  15 - HN    ASN   69  10.40 +/- 2.85   4.451% *  0.0699% (0.73   1.0   0.02   0.02) =   0.009%
          HG3   GLN   30 - HN    ASN   69  14.40 +/- 2.36   1.415% *  0.0835% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    ASN   69  14.39 +/- 2.50   1.635% *  0.0545% (0.57   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    ASN   69  15.53 +/- 4.00   1.405% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ASN   69  18.03 +/- 5.78   1.122% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASN   69  12.49 +/- 1.72   2.080% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  23.86 +/- 3.14   0.379% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ASN   69  23.56 +/- 2.09   0.336% *  0.0507% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  21.29 +/- 5.52   0.575% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.08 +/- 2.48   0.553% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.04 +/- 2.25   0.321% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 5.48, residual support = 30.9:
          HG3   PRO   68 - HN    ASN   69   3.87 +/- 0.59  74.709% * 92.7610% (0.38   5.49  30.95) =  99.785%  kept
          QB    LYS+  33 - HN    ASN   69  13.67 +/- 3.90   7.246% *  0.5458% (0.61   0.02   0.02) =   0.057%
          HB3   GLN   30 - HN    ASN   69  15.10 +/- 2.20   3.843% *  0.7206% (0.80   0.02   0.02) =   0.040%
          HB3   LYS+  38 - HN    ASN   69  14.00 +/- 2.22   2.574% *  0.8513% (0.95   0.02   0.02) =   0.032%
          HG2   ARG+  54 - HN    ASN   69  21.21 +/- 5.75   3.707% *  0.4035% (0.45   0.02   0.02) =   0.022%
          HB    ILE   56 - HN    ASN   69  17.28 +/- 2.41   1.197% *  0.8979% (1.00   0.02   0.02) =   0.015%
          HB3   ASP- 105 - HN    ASN   69  15.85 +/- 3.98   1.931% *  0.4380% (0.49   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HN    ASN   69  17.04 +/- 1.83   1.170% *  0.7206% (0.80   0.02   0.02) =   0.012%
          HB3   PRO   58 - HN    ASN   69  16.49 +/- 1.85   1.341% *  0.4035% (0.45   0.02   0.02) =   0.008%
          HB2   MET   92 - HN    ASN   69  22.58 +/- 3.42   0.582% *  0.5821% (0.65   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ASN   69  19.34 +/- 2.82   0.894% *  0.3700% (0.41   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    ASN   69  23.71 +/- 1.78   0.447% *  0.6877% (0.76   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ASN   69  25.17 +/- 1.99   0.359% *  0.6181% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.27 A violated in 0 structures by 0.08 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.72, support = 4.35, residual support = 25.0:
          QG1   VAL   70 - HN    ASN   69   3.39 +/- 0.75  65.984% * 87.6956% (0.73   4.43  25.51) =  97.973%  kept
          QD1   LEU   71 - HN    ASN   69   6.96 +/- 1.17  10.265% * 10.6831% (0.49   0.80   0.02) =   1.857%  kept
          QG1   VAL   18 - HN    ASN   69   8.74 +/- 2.76  10.172% *  0.4557% (0.84   0.02   0.02) =   0.078%
          HB3   LEU   63 - HN    ASN   69   8.57 +/- 1.75   7.703% *  0.5265% (0.97   0.02   0.02) =   0.069%
          QD1   LEU  123 - HN    ASN   69  12.11 +/- 4.51   4.080% *  0.2656% (0.49   0.02   0.02) =   0.018%
          HB3   LEU  104 - HN    ASN   69  16.02 +/- 4.98   1.304% *  0.1080% (0.20   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    ASN   69  19.92 +/- 1.73   0.493% *  0.2656% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.985, support = 3.92, residual support = 21.7:
          HD2   PRO   68 - HN    LEU   67   4.14 +/- 0.77  54.332% * 96.1992% (1.00   3.94  21.67) =  98.532%  kept
          HA    VAL   24 - HE3   TRP   27   5.69 +/- 0.38  24.861% *  2.8716% (0.04   2.74  26.13) =   1.346%  kept
          HA    ALA   61 - HN    LEU   67   7.48 +/- 0.75  11.801% *  0.4719% (0.97   0.02   0.02) =   0.105%  kept
          HA    VAL   24 - HN    LEU   67  18.16 +/- 2.90   2.154% *  0.1668% (0.34   0.02   0.02) =   0.007%
          HD3   PRO   58 - HN    LEU   67  13.68 +/- 1.75   1.997% *  0.1509% (0.31   0.02   0.02) =   0.006%
          HA    ALA   61 - HE3   TRP   27  13.00 +/- 2.07   2.496% *  0.0593% (0.12   0.02   0.02) =   0.003%
          HD2   PRO   68 - HE3   TRP   27  16.01 +/- 2.03   1.522% *  0.0613% (0.13   0.02   0.02) =   0.002%
          HD3   PRO   58 - HE3   TRP   27  19.91 +/- 2.73   0.837% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.56, residual support = 21.7:
          HD3   PRO   68 - HN    LEU   67   3.62 +/- 0.93  80.024% * 97.5374% (0.76   4.56  21.67) =  99.927%  kept
          HD2   ARG+  54 - HN    LEU   67  18.39 +/- 5.00   3.579% *  0.5484% (0.98   0.02   0.02) =   0.025%
          HB2   PHE   59 - HN    LEU   67  11.24 +/- 1.55   5.027% *  0.2300% (0.41   0.02   0.02) =   0.015%
          HB3   CYS   53 - HN    LEU   67  15.36 +/- 3.06   2.128% *  0.5292% (0.95   0.02   0.02) =   0.014%
          QB    PHE   55 - HN    LEU   67  15.50 +/- 1.78   1.528% *  0.3843% (0.69   0.02   0.02) =   0.008%
          HD3   PRO   93 - HN    LEU   67  18.00 +/- 2.48   1.151% *  0.4480% (0.80   0.02   0.02) =   0.007%
          HD3   PRO   68 - HE3   TRP   27  16.07 +/- 1.90   1.702% *  0.0537% (0.10   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  20.50 +/- 3.00   1.175% *  0.0483% (0.09   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  19.46 +/- 2.55   0.974% *  0.0563% (0.10   0.02   0.02) =   0.001%
          HB3   CYS   53 - HE3   TRP   27  19.29 +/- 2.24   0.815% *  0.0665% (0.12   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  18.08 +/- 2.24   1.416% *  0.0289% (0.05   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HE3   TRP   27  24.30 +/- 3.65   0.482% *  0.0689% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.593, support = 2.73, residual support = 8.45:
          HA    ALA   64 - HN    LEU   67   3.30 +/- 0.57  74.681% * 23.9413% (0.65   1.20   3.94) =  55.684%  kept
          QE    LYS+  66 - HN    LEU   67   5.84 +/- 0.59  18.866% * 75.3890% (0.53   4.65  14.13) =  44.296%  kept
          HB3   ASN   35 - HN    LEU   67  19.33 +/- 2.85   0.651% *  0.5143% (0.84   0.02   0.02) =   0.010%
          HA    ALA   64 - HE3   TRP   27  11.74 +/- 1.83   2.676% *  0.0501% (0.08   0.02   0.02) =   0.004%
          HB3   ASN   35 - HE3   TRP   27  12.53 +/- 1.38   1.665% *  0.0646% (0.10   0.02   0.02) =   0.003%
          QE    LYS+  66 - HE3   TRP   27  17.24 +/- 2.65   1.461% *  0.0407% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.608, support = 5.0, residual support = 58.5:
      O   HB2   LEU   67 - HN    LEU   67   3.23 +/- 0.45  51.498% * 82.3246% (0.61  10.0   5.06  60.58) =  94.775%  kept
          HG2   PRO   68 - HN    LEU   67   5.78 +/- 0.84  13.606% * 17.0952% (0.65   1.0   3.89  21.67) =   5.200%  kept
          HB    VAL   18 - HN    LEU   67   7.71 +/- 4.13  12.508% *  0.0463% (0.34   1.0   0.02   0.02) =   0.013%
          HB2   LEU  115 - HN    LEU   67  15.05 +/- 2.50   0.852% *  0.1284% (0.95   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    LEU   67  11.72 +/- 1.36   1.331% *  0.0768% (0.57   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU   67  14.50 +/- 2.15   0.772% *  0.1310% (0.97   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HE3   TRP   27   6.58 +/- 1.38   9.824% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HN    LEU   67  17.28 +/- 4.47   2.230% *  0.0209% (0.15   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LEU   67  16.99 +/- 1.93   0.446% *  0.0661% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HE3   TRP   27  12.93 +/- 1.60   1.245% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  10.48 +/- 1.48   2.096% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.24 +/- 0.39   1.847% *  0.0034% (0.02   1.0   0.02   0.58) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  22.03 +/- 2.27   0.228% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  17.35 +/- 2.27   0.436% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.94 +/- 2.65   0.277% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.39 +/- 2.41   0.277% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.89 +/- 2.79   0.272% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  23.00 +/- 3.43   0.256% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 4.52, residual support = 12.7:
          QB    LYS+  66 - HN    LEU   67   3.05 +/- 0.53  49.644% * 73.8221% (0.95   4.84  14.13) =  89.604%  kept
          QB    LYS+  65 - HN    LEU   67   4.78 +/- 0.33  17.531% * 22.7620% (0.76   1.85   0.33) =   9.756%  kept
          HB    VAL   41 - HE3   TRP   27   7.55 +/- 3.28  15.686% *  1.5601% (0.10   0.96   0.36) =   0.598%  kept
          HB2   LEU   71 - HN    LEU   67  10.00 +/- 1.20   2.075% *  0.2344% (0.73   0.02   0.02) =   0.012%
          HB    VAL   41 - HN    LEU   67  12.55 +/- 1.93   1.038% *  0.2585% (0.80   0.02   0.02) =   0.007%
          HB3   GLN   17 - HN    LEU   67   9.99 +/- 3.01   3.702% *  0.0719% (0.22   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    LEU   67  17.08 +/- 2.30   0.396% *  0.3199% (0.99   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    LEU   67  18.91 +/- 2.67   0.425% *  0.2800% (0.87   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    LEU   67  14.69 +/- 4.76   0.801% *  0.1211% (0.38   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU   67  17.45 +/- 2.28   0.397% *  0.2088% (0.65   0.02   0.02) =   0.002%
          HB2   LEU   71 - HE3   TRP   27  10.59 +/- 1.92   2.114% *  0.0295% (0.09   0.02   0.02) =   0.002%
          QB    LYS+  66 - HE3   TRP   27  14.87 +/- 2.50   1.431% *  0.0384% (0.12   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  19.45 +/- 2.58   0.298% *  0.1211% (0.38   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  13.39 +/- 3.61   1.214% *  0.0262% (0.08   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  15.37 +/- 3.62   0.839% *  0.0352% (0.11   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  12.74 +/- 1.48   0.916% *  0.0310% (0.10   0.02   0.02) =   0.001%
          HG2   PRO   93 - HE3   TRP   27  19.24 +/- 2.16   0.249% *  0.0402% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  13.22 +/- 1.49   0.811% *  0.0090% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  23.09 +/- 3.02   0.266% *  0.0152% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  22.84 +/- 3.55   0.169% *  0.0152% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.522, support = 5.25, residual support = 54.6:
      O   HB3   LEU   67 - HN    LEU   67   2.92 +/- 0.68  32.396% * 37.1014% (0.25  10.0   4.79  60.58) =  53.001%  kept
          HG    LEU   67 - HN    LEU   67   3.95 +/- 0.78  17.264% * 44.6691% (1.00   1.0   6.02  60.58) =  34.006%  kept
          QG    LYS+  66 - HN    LEU   67   3.99 +/- 0.73  16.829% * 16.3484% (0.41   1.0   5.35  14.13) =  12.132%  kept
          HG    LEU   73 - HE3   TRP   27   4.36 +/- 2.33  19.523% *  0.9752% (0.08   1.0   1.72  25.20) =   0.840%  kept
          HG    LEU   40 - HN    LEU   67  10.41 +/- 1.46   0.843% *  0.1475% (0.99   1.0   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    LEU   67  12.43 +/- 1.21   0.631% *  0.0902% (0.61   1.0   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    LEU   67  13.37 +/- 3.56   0.464% *  0.1022% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    LEU   67  14.81 +/- 2.40   0.316% *  0.1475% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    LEU   67   7.57 +/- 0.71   1.909% *  0.0230% (0.15   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HE3   TRP   27  11.03 +/- 2.45   2.265% *  0.0185% (0.12   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LEU   67  12.07 +/- 1.04   0.562% *  0.0667% (0.45   1.0   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LEU   67  13.93 +/- 1.62   0.323% *  0.1022% (0.69   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HE3   TRP   27  15.40 +/- 2.69   2.225% *  0.0077% (0.05   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HE3   TRP   27  13.98 +/- 2.13   0.776% *  0.0187% (0.13   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HE3   TRP   27  11.87 +/- 2.56   1.133% *  0.0084% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  22.30 +/- 3.47   0.087% *  0.1080% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.99 +/- 2.57   0.269% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.46 +/- 3.52   0.279% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.03 +/- 2.91   0.289% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  18.68 +/- 2.06   0.204% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  13.40 +/- 1.79   0.554% *  0.0047% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  11.72 +/- 1.52   0.858% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.31, support = 4.14, residual support = 60.0:
          QD1   LEU   67 - HN    LEU   67   3.48 +/- 0.81  47.630% * 89.7237% (0.31   4.17  60.58) =  99.105%  kept
          HG3   LYS+  74 - HE3   TRP   27  10.18 +/- 1.72   2.961% *  3.8190% (0.07   0.83   0.02) =   0.262%  kept
          QG2   ILE  119 - HN    LEU   67   9.96 +/- 3.57   7.082% *  1.3440% (0.97   0.02   0.02) =   0.221%  kept
          QD2   LEU   71 - HN    LEU   67   8.21 +/- 1.08   5.453% *  1.3440% (0.97   0.02   0.02) =   0.170%  kept
          HG3   LYS+  74 - HN    LEU   67  10.43 +/- 3.03   5.781% *  0.7327% (0.53   0.02   0.02) =   0.098%
          QD2   LEU   71 - HE3   TRP   27   8.75 +/- 2.16   9.894% *  0.1690% (0.12   0.02   0.02) =   0.039%
          QD2   LEU   40 - HN    LEU   67   9.55 +/- 1.37   3.815% *  0.3872% (0.28   0.02   0.02) =   0.034%
          QD1   ILE  103 - HN    LEU   67  15.65 +/- 1.86   0.850% *  1.3896% (1.00   0.02   0.02) =   0.027%
          QG2   ILE  103 - HN    LEU   67  14.94 +/- 1.86   1.002% *  0.5725% (0.41   0.02   0.02) =   0.013%
          QD1   ILE  103 - HE3   TRP   27  11.95 +/- 3.15   2.600% *  0.1747% (0.13   0.02   0.02) =   0.011%
          QD2   LEU   40 - HE3   TRP   27   9.71 +/- 2.16   5.559% *  0.0487% (0.03   0.02   0.02) =   0.006%
          QG2   ILE  103 - HE3   TRP   27  12.70 +/- 3.16   3.598% *  0.0720% (0.05   0.02   0.02) =   0.006%
          QD1   LEU   67 - HE3   TRP   27  10.65 +/- 2.08   2.971% *  0.0540% (0.04   0.02   0.02) =   0.004%
          QG2   ILE  119 - HE3   TRP   27  16.86 +/- 2.87   0.805% *  0.1690% (0.12   0.02   0.02) =   0.003%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.05, residual support = 30.3:
      O   HA    LYS+  65 - HN    LYS+  66   3.54 +/- 0.07  73.574% * 98.9277% (0.61  10.0   6.05  30.36) =  99.946%  kept
          QB    SER   48 - HN    LYS+  66  16.25 +/- 5.01  15.336% *  0.1617% (0.99   1.0   0.02   0.02) =   0.034%
          HA2   GLY   16 - HN    LYS+  66  12.51 +/- 3.99   3.607% *  0.1120% (0.69   1.0   0.02   0.02) =   0.006%
          HA    ALA  120 - HN    LYS+  66  14.44 +/- 3.99   1.943% *  0.1574% (0.97   1.0   0.02   0.02) =   0.004%
          HA2   GLY   51 - HN    LYS+  66  18.18 +/- 4.50   1.796% *  0.1362% (0.84   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  66  15.16 +/- 2.35   1.188% *  0.1543% (0.95   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    LYS+  66  15.81 +/- 2.97   1.197% *  0.1463% (0.90   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LYS+  66  15.50 +/- 1.69   1.005% *  0.0923% (0.57   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  66  21.60 +/- 2.24   0.355% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 2.15, residual support = 6.31:
          HA    LEU   63 - HN    LYS+  66   3.71 +/- 0.45  98.099% * 98.9442% (0.99   2.15   6.31) =  99.989%  kept
          HB2   HIS   22 - HN    LYS+  66  18.13 +/- 2.27   1.093% *  0.6388% (0.69   0.02   0.02) =   0.007%
          HA2   GLY  101 - HN    LYS+  66  21.99 +/- 3.22   0.809% *  0.4169% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.855, support = 4.7, residual support = 22.5:
          HA    ALA   64 - HN    LYS+  66   3.91 +/- 0.51  63.108% * 76.9497% (0.95   4.57   8.95) =  87.434%  kept
          QE    LYS+  66 - HN    LYS+  66   5.19 +/- 0.55  31.124% * 22.3317% (0.22   5.64 117.40) =  12.514%  kept
          HB2   PHE   72 - HN    LYS+  66   9.51 +/- 1.12   5.050% *  0.5454% (0.22   0.14   0.27) =   0.050%
          HB3   ASN   35 - HN    LYS+  66  20.63 +/- 2.75   0.717% *  0.1732% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.96 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 = 0.716, support = 5.28, residual support = 99.9:
      O   QB    LYS+  66 - HN    LYS+  66   2.40 +/- 0.25  62.859% * 67.9216% (0.65  10.0   5.08 117.40) =  79.842%  kept
          QB    LYS+  65 - HN    LYS+  66   3.06 +/- 0.34  34.059% * 31.6419% (0.99   1.0   6.08  30.36) =  20.154%  kept
          HB3   GLN   17 - HN    LYS+  66  10.52 +/- 3.34   1.376% *  0.0552% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+  66  11.44 +/- 1.27   0.666% *  0.1029% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  16.41 +/- 2.62   0.292% *  0.0942% (0.90   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  66  13.64 +/- 1.92   0.406% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.80 +/- 2.68   0.170% *  0.1048% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.19 +/- 2.35   0.172% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.539, support = 4.18, residual support = 61.6:
          HG    LEU   67 - HN    LYS+  66   5.56 +/- 0.99  19.836% * 78.1602% (0.87   3.56  14.13) =  53.920%  kept
          QG    LYS+  66 - HN    LYS+  66   3.08 +/- 0.66  68.639% * 19.2504% (0.15   4.92 117.40) =  45.953%  kept
          QB    ALA  120 - HN    LYS+  66  13.37 +/- 2.93   1.684% *  0.4890% (0.97   0.02   0.02) =   0.029%
          HG    LEU   40 - HN    LYS+  66  11.85 +/- 1.54   1.967% *  0.3872% (0.76   0.02   0.02) =   0.026%
          HG    LEU  115 - HN    LYS+  66  13.34 +/- 1.49   1.273% *  0.4890% (0.97   0.02   0.02) =   0.022%
          HB3   LEU   40 - HN    LYS+  66  13.58 +/- 1.22   1.142% *  0.4057% (0.80   0.02   0.02) =   0.016%
          HB3   LEU  115 - HN    LYS+  66  14.27 +/- 2.19   1.144% *  0.3872% (0.76   0.02   0.02) =   0.015%
          HB2   LYS+  74 - HN    LYS+  66  10.32 +/- 2.25   2.570% *  0.1003% (0.20   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    LYS+  66  12.81 +/- 1.09   1.113% *  0.1409% (0.28   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    LYS+  66  23.31 +/- 3.62   0.631% *  0.1902% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.69, residual support = 8.95:
          QB    ALA   64 - HN    LYS+  66   4.40 +/- 0.29 100.000% *100.0000% (0.95   3.69   8.95) = 100.000%  kept
    Distance limit 4.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.17, residual support = 156.5:
      O   HA    LYS+  65 - HN    LYS+  65   2.79 +/- 0.07  87.658% * 99.3218% (0.64  10.0   6.18 156.54) =  99.989%  kept
          QB    SER   48 - HN    LYS+  65  15.14 +/- 4.16   5.099% *  0.0822% (0.53   1.0   0.02   0.02) =   0.005%
          HA2   GLY   16 - HN    LYS+  65  13.16 +/- 3.85   1.715% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HB    THR   94 - HN    LYS+  65  13.50 +/- 2.78   1.183% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  14.63 +/- 2.58   0.798% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LYS+  65  17.22 +/- 3.65   0.762% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.88 +/- 1.78   0.541% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  20.02 +/- 2.19   0.264% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  16.14 +/- 3.08   0.701% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.01 +/- 1.06   0.609% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.35 +/- 2.55   0.416% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  20.88 +/- 2.62   0.254% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.65, support = 4.89, residual support = 29.2:
      O   HA    ALA   64 - HN    LYS+  65   3.55 +/- 0.05  79.263% * 95.3452% (0.65  10.0   4.90  29.19) =  99.312%  kept
          QE    LYS+  66 - HN    LYS+  65   7.10 +/- 0.87  11.369% *  4.5833% (0.15   1.0   4.08  30.36) =   0.685%  kept
          HB2   PHE   72 - HN    LYS+  65   8.01 +/- 1.06   8.724% *  0.0224% (0.15   1.0   0.02   0.02) =   0.003%
          HB3   ASN   35 - HN    LYS+  65  20.09 +/- 2.58   0.645% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.532, support = 6.63, residual support = 152.8:
      O   QB    LYS+  65 - HN    LYS+  65   2.16 +/- 0.12  86.282% * 78.0732% (0.53  10.0   6.70 156.54) =  97.072%  kept
          QB    LYS+  66 - HN    LYS+  65   4.63 +/- 0.33   9.478% * 21.4155% (0.65   1.0   4.43  30.36) =   2.925%  kept
          HB2   LEU   71 - HN    LYS+  65  11.18 +/- 1.25   0.728% *  0.0742% (0.50   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  12.76 +/- 1.77   0.530% *  0.0818% (0.55   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  10.74 +/- 3.57   1.646% *  0.0227% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  65  15.07 +/- 2.74   0.348% *  0.1013% (0.68   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    LYS+  65  19.12 +/- 2.17   0.170% *  0.0886% (0.60   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  15.06 +/- 2.91   0.388% *  0.0383% (0.26   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  17.08 +/- 2.10   0.221% *  0.0661% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.25 +/- 2.59   0.210% *  0.0383% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.172, support = 4.61, residual support = 131.7:
          HG2   LYS+  65 - HN    LYS+  65   3.62 +/- 0.52  62.509% * 56.8810% (0.14   5.23 156.54) =  84.072%  kept
          HG    LEU   67 - HN    LYS+  65   6.76 +/- 1.12  17.380% * 38.0651% (0.36   1.32   0.33) =  15.643%  kept
          HB2   LYS+  74 - HN    LYS+  65   8.78 +/- 1.76   7.165% *  0.5345% (0.34   0.02   0.02) =   0.091%
          HG    LEU  115 - HN    LYS+  65  12.29 +/- 1.31   2.022% *  1.0388% (0.65   0.02   0.02) =   0.050%
          HB3   LEU   40 - HN    LYS+  65  13.33 +/- 1.38   1.666% *  1.0957% (0.69   0.02   0.02) =   0.043%
          QB    ALA  120 - HN    LYS+  65  13.40 +/- 1.80   1.404% *  1.0388% (0.65   0.02   0.02) =   0.034%
          HG    LEU   40 - HN    LYS+  65  11.45 +/- 1.58   2.964% *  0.4514% (0.28   0.02   0.02) =   0.032%
          HB3   LEU  115 - HN    LYS+  65  13.20 +/- 2.01   1.807% *  0.4514% (0.28   0.02   0.02) =   0.019%
          QG2   THR   26 - HN    LYS+  65  13.04 +/- 1.60   1.513% *  0.2738% (0.17   0.02   0.02) =   0.010%
          HD2   LYS+ 121 - HN    LYS+  65  13.62 +/- 1.84   1.569% *  0.1694% (0.11   0.02   0.02) =   0.006%
    Distance limit 3.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.283, support = 4.17, residual support = 104.8:
          HG3   LYS+  65 - HN    LYS+  65   3.56 +/- 0.77  43.305% * 43.3193% (0.17   5.23 156.54) =  66.286%  kept
          HB2   LEU   63 - HN    LYS+  65   4.94 +/- 0.45  18.342% * 51.1040% (0.50   2.12   3.15) =  33.120%  kept
          HB3   ASP-  44 - HN    LYS+  65   7.40 +/- 3.39  21.140% *  0.5545% (0.58   0.02   0.02) =   0.414%  kept
          HB    VAL   42 - HN    LYS+  65   8.89 +/- 1.63   6.451% *  0.1655% (0.17   0.02   0.02) =   0.038%
          HB3   PRO   93 - HN    LYS+  65  12.93 +/- 2.76   1.485% *  0.6579% (0.68   0.02   0.02) =   0.035%
          HG    LEU   98 - HN    LYS+  65  15.54 +/- 2.95   0.797% *  0.6579% (0.68   0.02   0.02) =   0.019%
          QB    ALA  124 - HN    LYS+  65  15.32 +/- 3.19   0.779% *  0.6279% (0.65   0.02   0.02) =   0.017%
          QB    ALA   84 - HN    LYS+  65  14.97 +/- 2.05   0.721% *  0.6623% (0.69   0.02   0.02) =   0.017%
          HB3   LEU   73 - HN    LYS+  65  10.10 +/- 0.78   2.021% *  0.2049% (0.21   0.02   0.02) =   0.015%
          HG3   LYS+  33 - HN    LYS+  65  16.21 +/- 3.21   1.756% *  0.1314% (0.14   0.02   0.02) =   0.008%
          HB3   LEU   80 - HN    LYS+  65  17.34 +/- 2.92   0.543% *  0.4026% (0.42   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HN    LYS+  65  15.72 +/- 2.60   0.722% *  0.2729% (0.28   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HN    LYS+  65  16.74 +/- 2.22   0.542% *  0.3492% (0.36   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    LYS+  65  17.10 +/- 2.02   0.484% *  0.2976% (0.31   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HN    LYS+  65  20.66 +/- 2.17   0.273% *  0.2491% (0.26   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LYS+  65  18.22 +/- 3.46   0.450% *  0.1163% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+  65  22.66 +/- 2.94   0.189% *  0.2264% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.87, residual support = 29.2:
          QB    ALA   64 - HN    LYS+  65   2.84 +/- 0.22 100.000% *100.0000% (0.65   4.87  29.19) = 100.000%  kept
    Distance limit 3.49 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 = 0.944, support = 0.745, residual support = 6.12:
          HA    ALA   61 - HN    ALA   64   3.73 +/- 0.37  71.335% * 95.1123% (0.95   0.75   6.17) =  99.300%  kept
          HD2   PRO   68 - HN    ALA   64   7.79 +/- 1.39  13.866% *  2.1470% (0.80   0.02   0.02) =   0.436%  kept
          HA    VAL   75 - HN    ALA   64   9.43 +/- 1.67  10.461% *  1.0063% (0.38   0.02   0.02) =   0.154%  kept
          HD3   PRO   58 - HN    ALA   64  10.58 +/- 1.17   4.337% *  1.7345% (0.65   0.02   0.02) =   0.110%  kept
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.21, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.78 +/- 0.08  88.353% * 99.9016% (0.95  10.0   4.22  20.69) =  99.997%  kept
          HB2   PHE   72 - HN    ALA   64   7.00 +/- 0.87   7.273% *  0.0235% (0.22   1.0   0.02  46.06) =   0.002%
          QE    LYS+  66 - HN    ALA   64   8.11 +/- 0.81   4.054% *  0.0235% (0.22   1.0   0.02   8.95) =   0.001%
          HB3   ASN   35 - HN    ALA   64  19.45 +/- 2.30   0.321% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.874, support = 5.08, residual support = 27.5:
          QB    LYS+  65 - HN    ALA   64   4.42 +/- 0.24  52.229% * 84.2770% (0.92   5.33  29.19) =  91.538%  kept
          QB    LYS+  66 - HN    ALA   64   5.54 +/- 0.54  27.942% * 14.4224% (0.34   2.47   8.95) =   8.381%  kept
          HB3   GLN   17 - HN    ALA   64  11.52 +/- 2.84   4.868% *  0.2863% (0.84   0.02   0.93) =   0.029%
          HB2   LEU   71 - HN    ALA   64  10.62 +/- 0.94   4.074% *  0.3243% (0.95   0.02   0.02) =   0.027%
          HG2   PRO   93 - HN    ALA   64  14.23 +/- 1.91   1.921% *  0.2079% (0.61   0.02   0.02) =   0.008%
          QB    LYS+ 102 - HN    ALA   64  17.84 +/- 2.14   0.976% *  0.2863% (0.84   0.02   0.02) =   0.006%
          HB    VAL   41 - HN    ALA   64  11.50 +/- 2.09   3.805% *  0.0678% (0.20   0.02   0.02) =   0.005%
          HB2   LYS+  99 - HN    ALA   64  15.16 +/- 3.37   3.463% *  0.0678% (0.20   0.02   0.02) =   0.005%
          QD    LYS+  81 - HN    ALA   64  19.31 +/- 1.89   0.721% *  0.0600% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.73 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 = 0.707, support = 7.37, residual support = 53.5:
          HB2   LEU   63 - HN    ALA   64   3.10 +/- 0.61  53.342% * 82.4754% (0.73   7.51  54.47) =  96.149%  kept
          HG3   LYS+  65 - HN    ALA   64   5.89 +/- 1.01  11.339% * 14.9838% (0.25   3.97  29.19) =   3.713%  kept
          HB3   ASP-  44 - HN    ALA   64   6.45 +/- 2.49  15.159% *  0.2526% (0.84   0.02   0.02) =   0.084%
          HB    VAL   42 - HN    ALA   64   7.28 +/- 1.81  10.202% *  0.0754% (0.25   0.02   0.02) =   0.017%
          HB3   PRO   93 - HN    ALA   64  12.12 +/- 1.82   1.451% *  0.2998% (0.99   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    ALA   64  14.16 +/- 2.93   0.818% *  0.2998% (0.99   0.02   0.02) =   0.005%
          QB    ALA   84 - HN    ALA   64  14.62 +/- 1.33   0.635% *  0.3018% (1.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    ALA   64  10.02 +/- 1.09   1.860% *  0.0933% (0.31   0.02   3.12) =   0.004%
          QB    ALA  124 - HN    ALA   64  14.76 +/- 2.50   0.606% *  0.2861% (0.95   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    ALA   64  14.79 +/- 2.42   0.919% *  0.1243% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   64  15.18 +/- 2.31   0.553% *  0.1591% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   64  17.21 +/- 2.80   0.472% *  0.1834% (0.61   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    ALA   64  15.91 +/- 3.03   1.210% *  0.0599% (0.20   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  16.40 +/- 2.05   0.414% *  0.1356% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   64  19.61 +/- 1.89   0.268% *  0.1135% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  16.88 +/- 3.38   0.541% *  0.0530% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  21.29 +/- 2.85   0.212% *  0.1032% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 6.67, residual support = 54.3:
          HG    LEU   63 - HN    ALA   64   3.45 +/- 1.18  68.862% * 97.9357% (0.53   6.69  54.47) =  99.719%  kept
          QD1   ILE  119 - HN    ALA   64   7.60 +/- 1.87  21.360% *  0.7550% (0.20   0.14   0.02) =   0.238%  kept
          HB2   LEU  104 - HN    ALA   64  14.45 +/- 3.54   3.531% *  0.2494% (0.45   0.02   0.02) =   0.013%
          HG3   LYS+ 112 - HN    ALA   64  15.04 +/- 2.88   1.563% *  0.5136% (0.92   0.02   0.02) =   0.012%
          QG2   VAL   24 - HN    ALA   64  15.04 +/- 2.66   3.015% *  0.2088% (0.38   0.02   0.02) =   0.009%
          QG2   VAL  108 - HN    ALA   64  14.34 +/- 1.48   1.670% *  0.3375% (0.61   0.02   0.02) =   0.008%
    Distance limit 4.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.7, residual support = 54.4:
          HB3   LEU   63 - HN    ALA   64   3.64 +/- 0.64  47.069% * 99.3303% (0.97   6.71  54.47) =  99.847%  kept
          QG1   VAL   70 - HN    ALA   64   5.25 +/- 1.31  27.573% *  0.1261% (0.41   0.02   0.02) =   0.074%
          QG1   VAL   18 - HN    ALA   64   6.52 +/- 3.17  19.590% *  0.1614% (0.53   0.02   9.04) =   0.068%
          QD1   LEU   71 - HN    ALA   64   9.85 +/- 1.22   2.559% *  0.0683% (0.22   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ALA   64  10.86 +/- 1.85   2.535% *  0.0683% (0.22   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    ALA   64  15.78 +/- 1.57   0.674% *  0.2456% (0.80   0.02   0.02) =   0.004%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.861, support = 6.15, residual support = 54.5:
          QD2   LEU   63 - HN    ALA   64   3.44 +/- 0.94  49.127% * 60.5066% (1.00   5.89  54.47) =  68.084%  kept
          QD1   LEU   63 - HN    ALA   64   3.99 +/- 0.64  35.708% * 38.9869% (0.57   6.71  54.47) =  31.886%  kept
          QD1   LEU   73 - HN    ALA   64   9.88 +/- 1.16   3.852% *  0.1162% (0.57   0.02   3.12) =   0.010%
          QG2   VAL   41 - HN    ALA   64  10.29 +/- 1.30   2.737% *  0.1245% (0.61   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    ALA   64   9.12 +/- 1.31   4.691% *  0.0512% (0.25   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    ALA   64  11.88 +/- 2.42   1.918% *  0.0844% (0.41   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    ALA   64  15.34 +/- 3.24   0.869% *  0.0844% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ALA   64  15.11 +/- 2.80   1.097% *  0.0457% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.7:
      O   QB    ALA   64 - HN    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.13 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 = 5.24, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.56 +/- 0.04  96.350% * 99.8321% (0.97  10.0   5.24  42.40) =  99.998%  kept
          HB    THR   26 - HN    LEU   63  18.80 +/- 2.63   1.120% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    LEU   63  13.41 +/- 1.72   2.086% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  22.47 +/- 2.12   0.444% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.685, support = 1.5, residual support = 11.5:
          HA    PHE   60 - HN    LEU   63   3.45 +/- 0.41  84.341% * 92.4872% (0.69   1.50  11.54) =  99.759%  kept
          HA2   GLY   51 - HN    LEU   63  15.53 +/- 3.16   2.785% *  1.4995% (0.84   0.02   0.02) =   0.053%
          QB    SER   48 - HN    LEU   63  15.20 +/- 3.13   3.866% *  1.0164% (0.57   0.02   0.02) =   0.050%
          QB    SER  117 - HN    LEU   63  12.64 +/- 1.06   2.103% *  1.7794% (0.99   0.02   0.02) =   0.048%
          HB    THR   94 - HN    LEU   63  12.87 +/- 2.04   2.355% *  1.2332% (0.69   0.02   0.02) =   0.037%
          HA    LYS+ 121 - HN    LEU   63  13.69 +/- 1.54   1.742% *  1.3720% (0.76   0.02   0.02) =   0.031%
          HA    ALA  120 - HN    LEU   63  12.19 +/- 2.11   2.808% *  0.6124% (0.34   0.02   0.02) =   0.022%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.0:
      O   HA    LEU   63 - HN    LEU   63   2.79 +/- 0.06  98.250% * 99.8508% (0.76  10.0   7.54 242.05) =  99.999%  kept
          HB2   HIS   22 - HN    LEU   63  18.35 +/- 3.21   1.425% *  0.0446% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY  101 - HN    LEU   63  21.77 +/- 3.02   0.325% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.24, residual support = 42.4:
          HB2   ASP-  62 - HN    LEU   63   3.63 +/- 0.43  95.396% * 99.7489% (0.98   5.24  42.40) =  99.993%  kept
          HB2   PRO   52 - HN    LEU   63  14.32 +/- 2.46   2.887% *  0.1742% (0.45   0.02   0.02) =   0.005%
          QB    ASP- 113 - HN    LEU   63  14.71 +/- 1.74   1.717% *  0.0769% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   3.21 +/- 0.50  97.272% * 98.9511% (0.95   5.24  42.40) =  99.991%  kept
          HG3   MET   96 - HN    LEU   63  14.60 +/- 2.13   1.452% *  0.3687% (0.92   0.02   0.26) =   0.006%
          HB3   ASP-  86 - HN    LEU   63  20.46 +/- 1.94   0.515% *  0.2261% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  22.60 +/- 4.00   0.388% *  0.2900% (0.73   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    LEU   63  21.85 +/- 2.71   0.373% *  0.1642% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.12, residual support = 242.0:
      O   HB2   LEU   63 - HN    LEU   63   2.18 +/- 0.22  83.977% * 98.8228% (0.73  10.0   8.12 242.05) =  99.985%  kept
          HB3   ASP-  44 - HN    LEU   63   7.35 +/- 2.67   5.722% *  0.1137% (0.84   1.0   0.02   0.02) =   0.008%
          HG3   LYS+  65 - HN    LEU   63   6.53 +/- 1.00   3.989% *  0.0339% (0.25   1.0   0.02   3.15) =   0.002%
          HB3   PRO   93 - HN    LEU   63  11.49 +/- 2.16   0.903% *  0.1349% (0.99   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LEU   63   9.18 +/- 1.90   1.631% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   63  15.67 +/- 3.17   0.374% *  0.1349% (0.99   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  14.09 +/- 2.09   0.390% *  0.1287% (0.95   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   63  15.06 +/- 1.67   0.347% *  0.1358% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   63  12.99 +/- 2.15   0.554% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  12.36 +/- 1.15   0.608% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.62 +/- 2.76   0.353% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  18.20 +/- 2.77   0.171% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  18.63 +/- 2.34   0.214% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  18.19 +/- 1.84   0.169% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.55 +/- 3.37   0.139% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.33 +/- 3.07   0.228% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.46 +/- 3.60   0.232% *  0.0238% (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 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 242.0:
          HG    LEU   63 - HN    LEU   63   3.32 +/- 0.56  90.443% * 99.5070% (1.00   7.61 242.05) =  99.985%  kept
          QG2   VAL   24 - HN    LEU   63  16.61 +/- 3.18   2.804% *  0.2568% (0.98   0.02   0.02) =   0.008%
          HG3   LYS+ 112 - HN    LEU   63  13.30 +/- 2.64   2.160% *  0.1903% (0.73   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    LEU   63  10.32 +/- 1.83   4.593% *  0.0459% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.37 A violated in 0 structures by 0.21 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 242.0:
      O   HB3   LEU   63 - HN    LEU   63   3.28 +/- 0.34  70.752% * 99.7743% (0.97  10.0   7.61 242.05) =  99.982%  kept
          QG1   VAL   70 - HN    LEU   63   6.65 +/- 1.34  13.107% *  0.0425% (0.41   1.0   0.02   0.02) =   0.008%
          QG1   VAL   18 - HN    LEU   63   8.29 +/- 2.82   9.058% *  0.0544% (0.53   1.0   0.02   0.02) =   0.007%
          QD1   LEU  123 - HN    LEU   63   9.61 +/- 1.89   4.377% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  15.42 +/- 1.84   0.793% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU   63  11.70 +/- 1.47   1.913% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.867, support = 7.25, residual support = 242.0:
          QD1   LEU   63 - HN    LEU   63   3.70 +/- 0.40  42.013% * 50.2054% (0.90   7.07 242.05) =  52.147%  kept
          QD2   LEU   63 - HN    LEU   63   3.73 +/- 0.73  39.205% * 49.3378% (0.84   7.46 242.05) =  47.821%  kept
          QD2   LEU  115 - HN    LEU   63   7.69 +/- 1.32   7.233% *  0.0897% (0.57   0.02   0.02) =   0.016%
          QD1   LEU  104 - HN    LEU   63  12.82 +/- 3.54   6.309% *  0.0489% (0.31   0.02   0.02) =   0.008%
          QD1   LEU   73 - HN    LEU   63  11.79 +/- 1.28   1.349% *  0.1420% (0.90   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    LEU   63  12.15 +/- 1.40   1.278% *  0.0440% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   63  16.03 +/- 2.75   0.641% *  0.0833% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  13.28 +/- 2.50   1.329% *  0.0244% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  16.20 +/- 3.03   0.643% *  0.0244% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 3.83, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.59 +/- 0.45  98.193% * 99.9341% (0.84  10.0   3.83  41.00) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  13.82 +/- 2.29   0.954% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.35 +/- 1.40   0.854% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.83, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.74 +/- 0.54  98.094% * 99.7231% (0.82  10.0   3.83  41.00) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  15.23 +/- 2.42   1.047% *  0.0973% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    ASP-  62  20.74 +/- 2.28   0.396% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  23.78 +/- 3.63   0.222% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  22.41 +/- 2.71   0.241% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.337, support = 0.845, residual support = 0.785:
          QB    LYS+  66 - HN    ASP-  62   6.64 +/- 1.61  32.464% * 70.7146% (0.32   0.90   0.84) =  93.832%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.33 +/- 2.46   9.744% *  2.3738% (0.49   0.02   0.02) =   0.945%  kept
          HG3   PRO   68 - HN    ASP-  62  12.15 +/- 1.90   8.188% *  2.7124% (0.56   0.02   0.02) =   0.908%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.47 +/- 3.83   9.351% *  2.2059% (0.45   0.02   0.02) =   0.843%  kept
          HB3   PRO   52 - HN    ASP-  62  14.37 +/- 2.03   5.098% *  3.9662% (0.82   0.02   0.02) =   0.826%  kept
          HG    LEU  123 - HN    ASP-  62  12.89 +/- 1.98   4.856% *  3.9662% (0.82   0.02   0.02) =   0.787%  kept
          HB    VAL   41 - HN    ASP-  62  14.90 +/- 2.06   3.742% *  2.3738% (0.49   0.02   0.02) =   0.363%  kept
          HG12  ILE  103 - HN    ASP-  62  17.53 +/- 2.80   2.783% *  3.0446% (0.63   0.02   0.02) =   0.346%  kept
          HG2   PRO   93 - HN    ASP-  62  13.31 +/- 2.67   9.272% *  0.7343% (0.15   0.02   0.02) =   0.278%  kept
          QB    LYS+  33 - HN    ASP-  62  18.26 +/- 3.26   3.433% *  1.7237% (0.35   0.02   0.02) =   0.242%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.36 +/- 2.57   5.390% *  1.0455% (0.21   0.02   0.02) =   0.230%  kept
          HB    ILE  103 - HN    ASP-  62  19.17 +/- 3.02   1.915% *  2.5431% (0.52   0.02   0.02) =   0.199%  kept
          HB3   GLN   90 - HN    ASP-  62  19.59 +/- 2.97   1.879% *  1.4302% (0.29   0.02   0.02) =   0.110%  kept
          QB    LYS+  81 - HN    ASP-  62  18.72 +/- 2.72   1.885% *  1.1658% (0.24   0.02   0.02) =   0.090%
    Distance limit 4.41 A violated in 12 structures by 1.57 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.791, support = 2.75, residual support = 8.05:
          QB    ALA   61 - HN    ASP-  62   2.75 +/- 0.25  79.913% * 77.4097% (0.80   2.79   8.19) =  98.111%  kept
          QG    LYS+  66 - HN    ASP-  62   6.77 +/- 1.34   7.228% * 13.6810% (0.52   0.75   0.84) =   1.568%  kept
          HB3   LEU   67 - HN    ASP-  62   9.17 +/- 1.84   3.093% *  5.5062% (0.69   0.23   0.02) =   0.270%  kept
          HB3   LYS+  74 - HN    ASP-  62  11.25 +/- 2.69   2.942% *  0.2928% (0.42   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    ASP-  62  13.49 +/- 1.82   2.120% *  0.2473% (0.35   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HN    ASP-  62  13.06 +/- 2.45   1.527% *  0.3165% (0.45   0.02   0.02) =   0.008%
          HG12  ILE   19 - HN    ASP-  62  14.57 +/- 1.50   0.655% *  0.5962% (0.85   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ASP-  62  14.91 +/- 1.87   0.584% *  0.6015% (0.86   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    ASP-  62  19.07 +/- 3.75   0.395% *  0.6002% (0.86   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ASP-  62  18.09 +/- 2.99   0.430% *  0.4132% (0.59   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.13 +/- 2.41   0.813% *  0.1500% (0.21   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  23.24 +/- 3.58   0.300% *  0.1857% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 0.838, support = 2.36, residual support = 4.43:
          QB    LYS+  65 - HN    LEU   63   4.64 +/- 0.45  47.159% * 48.6485% (0.76   2.61   3.15) =  58.771%  kept
          QB    LYS+  66 - HN    LEU   63   5.32 +/- 0.99  34.307% * 46.5903% (0.95   2.02   6.31) =  40.945%  kept
          HB2   LEU   71 - HN    LEU   63  12.98 +/- 1.07   2.397% *  2.6754% (0.73   0.15   0.02) =   0.164%  kept
          HG2   PRO   93 - HN    LEU   63  13.44 +/- 2.36   3.315% *  0.4831% (0.99   0.02   0.02) =   0.041%
          HB    VAL   41 - HN    LEU   63  13.65 +/- 2.22   2.288% *  0.3903% (0.80   0.02   0.02) =   0.023%
          HB3   PRO   52 - HN    LEU   63  14.92 +/- 2.34   2.717% *  0.1829% (0.38   0.02   0.02) =   0.013%
          HG    LEU  123 - HN    LEU   63  12.79 +/- 2.16   2.633% *  0.1829% (0.38   0.02   0.02) =   0.012%
          HG12  ILE  103 - HN    LEU   63  16.79 +/- 2.63   1.504% *  0.3153% (0.65   0.02   0.02) =   0.012%
          QB    LYS+ 102 - HN    LEU   63  18.88 +/- 2.59   0.999% *  0.4228% (0.87   0.02   0.02) =   0.011%
          HB3   GLN   17 - HN    LEU   63  13.43 +/- 2.79   2.681% *  0.1085% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.0, residual support = 41.3:
      O   HA    PHE   60 - HN    ALA   61   3.61 +/- 0.04  86.920% * 99.3945% (0.69  10.0   5.00  41.31) =  99.985%  kept
          HB    THR   94 - HN    ALA   61  12.67 +/- 2.46   3.284% *  0.0994% (0.69   1.0   0.02   0.02) =   0.004%
          QB    SER  117 - HN    ALA   61  12.85 +/- 0.91   2.024% *  0.1434% (0.99   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    ALA   61  14.07 +/- 1.57   1.717% *  0.1209% (0.84   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    ALA   61  14.61 +/- 2.11   1.821% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    ALA   61  14.26 +/- 2.83   2.240% *  0.0819% (0.57   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.07 +/- 1.12   1.994% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 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 = 0.944, support = 2.74, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.78 +/- 0.06  86.393% * 94.5572% (0.95  10.0   2.75  17.89) =  99.423%  kept
          HD3   PRO   58 - HN    ALA   61   6.26 +/- 0.83   8.854% *  5.3252% (0.65   1.0   1.65   0.87) =   0.574%  kept
          HA    VAL   75 - HN    ALA   61  10.83 +/- 3.00   3.424% *  0.0375% (0.38   1.0   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    ALA   61  12.11 +/- 1.53   1.329% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 4.86, residual support = 41.3:
          HB2   PHE   60 - HN    ALA   61   3.04 +/- 0.46  84.088% * 99.4632% (0.84   4.86  41.31) =  99.977%  kept
          HB    THR   46 - HN    ALA   61   9.42 +/- 3.62  14.829% *  0.0970% (0.20   0.02   0.02) =   0.017%
          HB2   TRP   87 - HN    ALA   61  16.62 +/- 2.36   1.083% *  0.4397% (0.90   0.02   0.02) =   0.006%
    Distance limit 3.78 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 = 5.0, residual support = 41.3:
          HB3   PHE   60 - HN    ALA   61   3.37 +/- 0.66  94.023% * 99.1927% (0.98   5.00  41.31) =  99.987%  kept
          HB2   PHE   97 - HN    ALA   61  13.99 +/- 3.08   2.825% *  0.1664% (0.41   0.02   0.02) =   0.005%
          QE    LYS+ 106 - HN    ALA   61  16.32 +/- 2.19   1.210% *  0.3510% (0.87   0.02   0.02) =   0.005%
          HB3   TRP   27 - HN    ALA   61  15.97 +/- 2.19   1.423% *  0.1519% (0.38   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    ALA   61  22.97 +/- 2.63   0.519% *  0.1380% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.99, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.09 +/- 0.07  92.080% * 99.0576% (0.73  10.0   4.00  17.89) =  99.991%  kept
          QG    LYS+  66 - HN    ALA   61   8.66 +/- 1.08   1.548% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA   61  12.95 +/- 2.16   1.390% *  0.1352% (0.99   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   61  10.14 +/- 1.88   1.041% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ALA   61  10.04 +/- 1.36   1.025% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  13.28 +/- 2.91   0.996% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.82 +/- 1.79   0.887% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  14.72 +/- 2.16   0.363% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  14.64 +/- 1.86   0.326% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.41 +/- 4.55   0.247% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  22.97 +/- 3.29   0.096% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.755, support = 6.08, residual support = 39.7:
          HD3   PRO   58 - HN    PHE   59   2.66 +/- 0.62  90.693% * 95.4196% (0.76   6.09  39.81) =  99.675%  kept
          HA    ALA   61 - HN    PHE   59   7.19 +/- 0.34   6.570% *  4.2087% (0.26   0.77   0.73) =   0.318%  kept
          HA    VAL   75 - HN    PHE   59  14.18 +/- 2.91   1.757% *  0.3084% (0.74   0.02   0.02) =   0.006%
          HD2   PRO   68 - HN    PHE   59  14.25 +/- 1.91   0.980% *  0.0632% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 4.35, residual support = 57.9:
      O   HB2   PHE   59 - HN    PHE   59   2.50 +/- 0.55  88.958% * 97.2556% (0.76  10.0   4.35  58.01) =  99.867%  kept
          QB    PHE   55 - HN    PHE   59   7.44 +/- 0.51   4.516% *  2.4444% (0.73   1.0   0.53   0.02) =   0.127%  kept
          HB3   CYS   53 - HN    PHE   59   8.97 +/- 1.39   2.638% *  0.0674% (0.53   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    PHE   59  11.36 +/- 1.55   1.954% *  0.0595% (0.47   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    PHE   59  13.17 +/- 3.19   1.002% *  0.0851% (0.67   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  13.91 +/- 2.04   0.931% *  0.0880% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 58.0:
      O   HB3   PHE   59 - HN    PHE   59   2.58 +/- 0.60  96.414% * 99.9594% (0.67  10.0   4.97  58.01) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59  10.79 +/- 2.41   2.986% *  0.0178% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    PHE   59  16.75 +/- 1.21   0.600% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.194, support = 6.56, residual support = 39.7:
      O   HB2   PRO   58 - HN    PHE   59   3.70 +/- 0.64  80.044% * 96.9922% (0.19  10.0   6.58  39.81) =  99.639%  kept
          HB2   GLN  116 - HN    PHE   59   8.35 +/- 1.57  14.015% *  1.8807% (0.64   1.0   0.12   0.49) =   0.338%  kept
          QG    GLU-  79 - HN    PHE   59  16.77 +/- 4.79   3.288% *  0.3115% (0.62   1.0   0.02   0.02) =   0.013%
          HB3   PHE   97 - HN    PHE   59  14.89 +/- 3.47   1.950% *  0.2672% (0.53   1.0   0.02   0.02) =   0.007%
          HB2   GLU- 100 - HN    PHE   59  24.36 +/- 2.90   0.325% *  0.3591% (0.71   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   59  23.93 +/- 2.51   0.378% *  0.1893% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.43 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 = 6.29, residual support = 39.8:
          HG2   PRO   58 - HN    PHE   59   2.91 +/- 0.32  91.171% * 98.7267% (0.76   6.29  39.81) =  99.986%  kept
          HG3   PRO   52 - HN    PHE   59  12.85 +/- 1.61   1.542% *  0.3138% (0.76   0.02   0.02) =   0.005%
          HB2   PRO   93 - HN    PHE   59  10.60 +/- 2.86   3.236% *  0.1316% (0.32   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HN    PHE   59  10.14 +/- 0.94   2.480% *  0.0561% (0.14   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    PHE   59  23.99 +/- 3.03   0.216% *  0.3194% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  16.67 +/- 2.04   0.598% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    PHE   59  31.14 +/- 4.13   0.102% *  0.3201% (0.77   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  16.21 +/- 2.48   0.654% *  0.0433% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.678, support = 6.16, residual support = 39.3:
      O   HB3   PRO   58 - HN    PHE   59   3.88 +/- 0.31  41.500% * 97.6194% (0.69  10.0   6.29  39.81) =  97.279%  kept
          HB    ILE   56 - HN    PHE   59   3.55 +/- 1.02  55.593% *  2.0356% (0.19   1.0   1.50  20.24) =   2.717%  kept
          HB2   MET   92 - HN    PHE   59  15.12 +/- 3.09   0.887% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    PHE   59  14.97 +/- 2.34   1.076% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   59  20.27 +/- 2.33   0.355% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  23.80 +/- 2.93   0.227% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.97 +/- 3.47   0.271% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  31.60 +/- 4.19   0.092% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.2:
          QG1   ILE   56 - HN    PHE   59   3.44 +/- 0.70  87.701% * 97.7303% (0.67   4.26  20.24) =  99.965%  kept
          HB3   MET   92 - HN    PHE   59  14.11 +/- 2.92   2.520% *  0.2371% (0.35   0.02   0.02) =   0.007%
          QD    LYS+ 106 - HN    PHE   59  15.41 +/- 2.77   1.403% *  0.4235% (0.62   0.02   0.02) =   0.007%
          HB2   LEU   73 - HN    PHE   59  16.74 +/- 2.33   1.187% *  0.3208% (0.47   0.02   0.02) =   0.004%
          HB    ILE   89 - HN    PHE   59  16.56 +/- 3.24   1.896% *  0.1804% (0.26   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    PHE   59  18.76 +/- 3.50   0.725% *  0.4418% (0.64   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    PHE   59  15.77 +/- 1.81   1.624% *  0.1804% (0.26   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    PHE   59  19.82 +/- 3.23   0.597% *  0.4042% (0.59   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    PHE   59  12.38 +/- 1.43   2.347% *  0.0816% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.484, support = 0.02, residual support = 0.651:
          HA    ALA   61 - HN    ALA   57   8.99 +/- 1.06  72.701% * 14.7090% (0.34   0.02   1.09) =  59.087%  kept
          HD2   PRO   68 - HN    ALA   57  16.66 +/- 2.21  15.530% * 22.6869% (0.53   0.02   0.02) =  19.467%  kept
          HA    VAL   24 - HN    ALA   57  22.31 +/- 4.04   6.841% * 41.6148% (0.97   0.02   0.02) =  15.730%  kept
          HA    LYS+  38 - HN    ALA   57  25.77 +/- 3.65   4.928% * 20.9893% (0.49   0.02   0.02) =   5.715%  kept
    Distance limit 3.62 A violated in 20 structures by 5.28 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.343, support = 0.2, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   7.15 +/- 1.61  46.342% * 82.6145% (0.34   0.22   0.02) =  90.802%  kept
          HD2   ARG+  54 - HN    ALA   57   8.42 +/- 1.95  32.951% *  9.1149% (0.41   0.02   0.02) =   7.123%  kept
          HD3   PRO   93 - HN    ALA   57  12.79 +/- 4.30  13.998% *  4.3877% (0.20   0.02   0.02) =   1.457%  kept
          HD3   PRO   68 - HN    ALA   57  16.30 +/- 2.10   6.710% *  3.8829% (0.18   0.02   0.02) =   0.618%  kept
    Distance limit 4.61 A violated in 9 structures by 1.72 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.601, support = 4.73, residual support = 28.1:
          HB3   PRO   58 - HN    ALA   57   5.49 +/- 0.46  27.712% * 73.0663% (0.90   4.22  25.25) =  54.261%  kept
          HB    ILE   56 - HN    ALA   57   3.78 +/- 0.91  66.335% * 25.7089% (0.25   5.34  31.40) =  45.702%  kept
          HB2   MET   92 - HN    ALA   57  14.56 +/- 4.18   3.557% *  0.2806% (0.73   0.02   0.02) =   0.027%
          HB3   GLN   30 - HN    ALA   57  22.08 +/- 3.09   0.516% *  0.2188% (0.57   0.02   0.02) =   0.003%
          HB3   MET   96 - HN    ALA   57  16.82 +/- 2.67   1.012% *  0.0964% (0.25   0.02   0.02) =   0.003%
          HB3   LYS+  38 - HN    ALA   57  26.46 +/- 4.23   0.437% *  0.1450% (0.38   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HN    ALA   57  25.68 +/- 3.33   0.275% *  0.2033% (0.53   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    ALA   57  33.18 +/- 5.26   0.155% *  0.2806% (0.73   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.84, residual support = 24.1:
      O   QB    ALA   57 - HN    ALA   57   2.40 +/- 0.46  94.708% * 99.4737% (0.92  10.0   4.84  24.14) =  99.996%  kept
          HD2   LYS+  74 - HN    ALA   57  14.88 +/- 3.72   0.970% *  0.1068% (0.99   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    ALA   57  11.66 +/- 1.80   1.318% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   57  16.78 +/- 3.21   0.708% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  14.20 +/- 1.89   0.854% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  15.60 +/- 2.41   0.560% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.86 +/- 5.02   0.499% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.70 +/- 3.21   0.171% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.99 +/- 4.63   0.212% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.3, residual support = 31.4:
          QG2   ILE   56 - HN    ALA   57   3.84 +/- 0.61  87.230% * 97.4669% (0.87   5.30  31.40) =  99.959%  kept
          QB    ALA   91 - HN    ALA   57  14.52 +/- 2.86   2.425% *  0.4094% (0.97   0.02   0.02) =   0.012%
          HG2   LYS+  74 - HN    ALA   57  14.41 +/- 3.94   3.185% *  0.1902% (0.45   0.02   0.02) =   0.007%
          QG2   THR   39 - HN    ALA   57  18.84 +/- 2.25   1.136% *  0.4094% (0.97   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    ALA   57  19.42 +/- 2.42   1.283% *  0.2914% (0.69   0.02   0.02) =   0.004%
          HG3   LYS+  38 - HN    ALA   57  27.15 +/- 4.31   0.712% *  0.4158% (0.98   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    ALA   57  19.89 +/- 4.07   1.699% *  0.1447% (0.34   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    ALA   57  20.18 +/- 2.32   0.784% *  0.2914% (0.69   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    ALA   57  20.07 +/- 2.41   0.953% *  0.1744% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ALA   57  23.68 +/- 3.33   0.595% *  0.2065% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.28 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.62, residual support = 59.3:
      O   HB2   ASN   69 - HD21  ASN   69   2.89 +/- 0.57  91.472% * 99.6854% (0.36  10.0   3.62  59.26) =  99.990%  kept
          QE    LYS+  66 - HD21  ASN   69  11.06 +/- 2.05   5.187% *  0.1287% (0.47   1.0   0.02   0.02) =   0.007%
          HB3   ASN   35 - HD21  ASN   69  16.10 +/- 4.49   2.815% *  0.0811% (0.30   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HD21  ASN   69  21.16 +/- 2.19   0.326% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  24.44 +/- 2.20   0.200% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.314, support = 4.02, residual support = 24.8:
          QG1   VAL   70 - HD21  ASN   69   3.99 +/- 1.06  57.076% * 88.4021% (0.32   4.12  25.51) =  97.277%  kept
          QD1   LEU  123 - HD21  ASN   69  12.49 +/- 4.80  10.577% *  6.8893% (0.19   0.53   0.02) =   1.405%  kept
          QD1   LEU   71 - HD21  ASN   69   7.19 +/- 1.72  20.784% *  2.9401% (0.19   0.23   0.02) =   1.178%  kept
          HB3   LEU   63 - HD21  ASN   69  10.34 +/- 1.82   5.340% *  0.7578% (0.56   0.02   0.02) =   0.078%
          QG1   VAL   18 - HD21  ASN   69  10.63 +/- 2.30   5.674% *  0.5205% (0.39   0.02   0.02) =   0.057%
          QG1   VAL  108 - HD21  ASN   69  20.22 +/- 2.54   0.549% *  0.4902% (0.36   0.02   0.02) =   0.005%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.421, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  13.13 +/- 6.37  16.556% * 19.7883% (0.53   0.02   0.02) =  27.475%  kept
          HA    LEU  123 - HD21  ASN   69  14.55 +/- 7.00  21.015% * 14.3693% (0.39   0.02   0.02) =  25.324%  kept
          HA    ASN   35 - HD21  ASN   69  14.18 +/- 3.76  11.059% * 17.4728% (0.47   0.02   0.02) =  16.205%  kept
          HA    ILE   56 - HD21  ASN   69  19.74 +/- 3.01   7.031% * 16.7505% (0.45   0.02   0.02) =   9.877%  kept
          HA    PHE   59 - HD21  ASN   69  15.02 +/- 2.03  11.005% *  8.6000% (0.23   0.02   0.02) =   7.937%  kept
          HA    LEU   40 - HD21  ASN   69   9.16 +/- 2.41  29.715% *  2.8311% (0.08   0.02   0.02) =   7.055%  kept
          HA    ASP- 113 - HD21  ASN   69  21.94 +/- 4.07   3.619% * 20.1881% (0.54   0.02   0.02) =   6.127%  kept
    Distance limit 4.95 A violated in 12 structures by 2.58 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 4.08, residual support = 21.3:
          QB    PHE   55 - HN    ILE   56   2.80 +/- 0.41  61.872% * 61.8135% (0.97   4.33  22.77) =  91.610%  kept
          HD2   ARG+  54 - HN    ILE   56   6.86 +/- 0.96   8.742% * 23.8464% (0.92   1.75   0.02) =   4.993%  kept
          HB2   PHE   59 - HN    ILE   56   6.14 +/- 1.21  11.041% *  8.4698% (0.76   0.75  20.24) =   2.240%  kept
          HB3   CYS   53 - HN    ILE   56   5.57 +/- 0.49   9.028% *  5.2106% (0.97   0.37   0.02) =   1.127%  kept
          HD3   PRO   93 - HN    ILE   56  10.97 +/- 4.29   3.467% *  0.2949% (1.00   0.02   0.02) =   0.024%
          HD3   PRO   68 - HN    ILE   56  17.33 +/- 2.83   0.474% *  0.2929% (0.99   0.02   0.02) =   0.003%
          HD3   PRO   93 - HZ2   TRP   87  16.05 +/- 3.07   2.025% *  0.0128% (0.04   0.02   0.02) =   0.001%
          QB    PHE   55 - HZ2   TRP   87  19.50 +/- 4.71   0.956% *  0.0124% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.07 +/- 4.12   0.905% *  0.0124% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.30 +/- 5.27   0.770% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  18.73 +/- 3.45   0.460% *  0.0098% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  20.06 +/- 3.60   0.261% *  0.0127% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.866, support = 5.95, residual support = 124.8:
      O   HB    ILE   56 - HN    ILE   56   3.67 +/- 0.32  47.507% * 94.5184% (0.87  10.0   5.99 125.67) =  99.303%  kept
          HB3   PRO   58 - HN    ILE   56   8.07 +/- 0.63   4.896% *  4.3626% (0.80   1.0   1.00   0.02) =   0.472%  kept
          HG2   ARG+  54 - HN    ILE   56   5.58 +/- 0.97  17.681% *  0.5385% (0.18   1.0   0.56   0.02) =   0.211%  kept
          HB2   MET   92 - HN    ILE   56  12.78 +/- 4.05   3.793% *  0.1031% (0.95   1.0   0.02   0.02) =   0.009%
          QB    LYS+ 106 - HN    ILE   56  15.70 +/- 2.27   0.771% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  23.23 +/- 2.78   0.249% *  0.1087% (1.00   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ILE   56  18.73 +/- 3.16   0.548% *  0.0448% (0.41   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ILE   56  27.76 +/- 4.57   0.210% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  18.28 +/- 3.25   0.586% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  21.43 +/- 4.83   3.884% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  18.90 +/- 4.00   0.951% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.93 +/- 3.35   0.585% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  13.77 +/- 5.54   2.431% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  16.34 +/- 3.10   2.024% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.70 +/- 4.43   1.695% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.59 +/- 3.29   0.215% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.59 +/- 2.74   0.259% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  12.55 +/- 3.01   1.949% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.40 +/- 1.10   1.777% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  14.02 +/- 5.65   2.838% *  0.0007% (0.01   1.0   0.02   0.42) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  21.17 +/- 5.84   0.425% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.71 +/- 1.23   0.977% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  16.72 +/- 5.35   1.033% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.62 +/- 5.74   0.079% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.43 +/- 4.99   0.950% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  16.38 +/- 3.24   0.723% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  21.59 +/- 4.28   0.795% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  28.98 +/- 6.16   0.171% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.27 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.28, residual support = 125.6:
          QG1   ILE   56 - HN    ILE   56   3.33 +/- 0.67  67.043% * 98.0664% (0.87   5.28 125.67) =  99.961%  kept
          HB3   MET   92 - HN    ILE   56  11.90 +/- 3.81   4.280% *  0.1920% (0.45   0.02   0.02) =   0.012%
          HB    ILE   89 - HN    ILE   56  16.26 +/- 3.83   2.680% *  0.1461% (0.34   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    ILE   56  16.80 +/- 2.56   0.860% *  0.3429% (0.80   0.02   0.02) =   0.004%
          HB2   LEU   73 - HN    ILE   56  19.11 +/- 3.13   1.014% *  0.2597% (0.61   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    ILE   56  14.41 +/- 3.41   1.666% *  0.1461% (0.34   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    ILE   56  22.10 +/- 3.14   0.431% *  0.3577% (0.84   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ILE   56  23.41 +/- 2.76   0.350% *  0.3273% (0.76   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  16.01 +/- 2.86   1.168% *  0.0661% (0.15   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HZ2   TRP   87  12.66 +/- 3.93   4.923% *  0.0149% (0.03   0.02   0.02) =   0.001%
          QG1   ILE   56 - HZ2   TRP   87  16.76 +/- 3.61   3.673% *  0.0161% (0.04   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   9.03 +/- 0.95   4.697% *  0.0063% (0.01   0.02  17.85) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  12.25 +/- 2.44   2.202% *  0.0113% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  16.88 +/- 4.19   0.956% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  16.94 +/- 4.56   0.983% *  0.0142% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.23 +/- 4.78   1.669% *  0.0063% (0.01   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  16.04 +/- 2.95   1.072% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  24.40 +/- 3.94   0.332% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.583, support = 0.423, residual support = 0.5:
          HB3   LEU  115 - HN    ILE   56   8.98 +/- 2.11   9.163% * 35.2773% (0.92   0.40   0.11) =  39.383%  kept
          QB    ALA   61 - HN    ILE   56   8.49 +/- 1.06   9.622% * 19.8579% (0.38   0.55   1.71) =  23.278%  kept
          HG    LEU  115 - HN    ILE   56   8.05 +/- 1.94  13.258% * 14.3901% (0.38   0.40   0.11) =  23.244%  kept
          QB    ALA  110 - HN    ILE   56  11.77 +/- 3.68   8.560% *  8.6225% (0.20   0.45   0.33) =   8.992%  kept
          HG    LEU   67 - HN    ILE   56  16.58 +/- 1.67   1.363% *  6.7607% (0.84   0.08   0.02) =   1.123%  kept
          QG    LYS+  66 - HN    ILE   56  12.92 +/- 2.13   4.936% *  1.3930% (0.73   0.02   0.02) =   0.838%  kept
          HB3   LEU   67 - HN    ILE   56  16.22 +/- 1.46   1.391% *  4.2585% (0.53   0.08   0.02) =   0.722%  kept
          HG    LEU   73 - HZ2   TRP   87  11.96 +/- 3.24   4.360% *  0.9736% (0.04   0.26   0.02) =   0.517%  kept
          QB    ALA  120 - HN    ILE   56  12.62 +/- 2.02   4.519% *  0.7200% (0.38   0.02   0.02) =   0.396%  kept
          HG    LEU   73 - HN    ILE   56  19.02 +/- 3.49   1.849% *  1.7205% (0.90   0.02   0.02) =   0.387%  kept
          HG    LEU   40 - HN    ILE   56  19.56 +/- 3.41   1.475% *  1.7709% (0.92   0.02   0.02) =   0.318%  kept
          HG    LEU   80 - HZ2   TRP   87   8.71 +/- 1.95  10.248% *  0.2469% (0.01   0.27   0.02) =   0.308%  kept
          HG    LEU   40 - HZ2   TRP   87  15.75 +/- 4.30   2.193% *  0.5835% (0.04   0.15   0.02) =   0.156%  kept
          HG    LEU   80 - HN    ILE   56  20.74 +/- 4.76   1.300% *  0.4271% (0.22   0.02   0.02) =   0.068%
          HG2   LYS+ 102 - HN    ILE   56  27.67 +/- 3.08   0.291% *  1.8514% (0.97   0.02   0.02) =   0.066%
          HB3   LEU   40 - HN    ILE   56  21.40 +/- 3.83   1.359% *  0.3796% (0.20   0.02   0.02) =   0.063%
          HG2   LYS+ 102 - HZ2   TRP   87  16.89 +/- 6.71   3.122% *  0.0803% (0.04   0.02   0.02) =   0.031%
          HG12  ILE   19 - HN    ILE   56  21.51 +/- 2.37   0.637% *  0.2960% (0.15   0.02   0.02) =   0.023%
          HB3   LEU  115 - HZ2   TRP   87  18.19 +/- 3.15   2.118% *  0.0769% (0.04   0.02   0.02) =   0.020%
          QB    ALA   61 - HZ2   TRP   87  14.33 +/- 2.25   3.447% *  0.0312% (0.02   0.02   0.02) =   0.013%
          HG    LEU   67 - HZ2   TRP   87  17.90 +/- 3.16   1.235% *  0.0695% (0.04   0.02   0.02) =   0.010%
          QG    LYS+  66 - HZ2   TRP   87  18.47 +/- 2.92   1.356% *  0.0605% (0.03   0.02   0.02) =   0.010%
          HG    LEU  115 - HZ2   TRP   87  17.90 +/- 3.25   2.519% *  0.0312% (0.02   0.02   0.02) =   0.010%
          QB    ALA  110 - HZ2   TRP   87  17.37 +/- 3.80   3.984% *  0.0165% (0.01   0.02   0.02) =   0.008%
          HB3   LEU   67 - HZ2   TRP   87  17.69 +/- 3.23   1.365% *  0.0438% (0.02   0.02   0.02) =   0.007%
          HB3   LEU   40 - HZ2   TRP   87  16.71 +/- 4.57   1.714% *  0.0165% (0.01   0.02   0.02) =   0.003%
          QB    ALA  120 - HZ2   TRP   87  19.63 +/- 2.71   0.866% *  0.0312% (0.02   0.02   0.02) =   0.003%
          HG12  ILE   19 - HZ2   TRP   87  16.46 +/- 3.66   1.750% *  0.0128% (0.01   0.02   0.02) =   0.003%
    Distance limit 4.42 A violated in 9 structures by 1.43 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.73, residual support = 125.7:
          QG2   ILE   56 - HN    ILE   56   2.80 +/- 0.65  80.224% * 98.4731% (1.00   6.73 125.67) =  99.990%  kept
          QB    ALA   91 - HN    ILE   56  13.13 +/- 2.68   1.351% *  0.2124% (0.73   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    ILE   56  20.67 +/- 3.15   0.450% *  0.1892% (0.65   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   56  20.43 +/- 2.67   0.284% *  0.2767% (0.95   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  19.86 +/- 2.38   0.317% *  0.2124% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ILE   56  15.36 +/- 2.92   0.771% *  0.0579% (0.20   0.02   0.02) =   0.001%
          QB    ALA   34 - HZ2   TRP   87  13.15 +/- 5.28   2.779% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  21.53 +/- 2.28   0.298% *  0.1098% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  28.48 +/- 4.62   0.113% *  0.2767% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  13.48 +/- 3.97   3.248% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.37 +/- 3.19   0.344% *  0.0512% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  15.33 +/- 4.34   1.454% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.19 +/- 1.41   1.438% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.70 +/- 3.12   0.160% *  0.0651% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  17.04 +/- 3.98   0.761% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.03 +/- 2.94   3.833% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  21.64 +/- 6.34   0.370% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.61 +/- 3.79   0.759% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  17.80 +/- 4.55   0.565% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  18.27 +/- 3.75   0.482% *  0.0022% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.09 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.911, support = 5.63, residual support = 83.5:
          HB3   CYS   53 - HN    ARG+  54   3.78 +/- 0.36  29.387% * 36.6335% (0.94   5.53  31.73) =  43.690%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.30 +/- 0.75  22.803% * 44.0192% (0.95   6.59 169.42) =  40.737%  kept
          QB    PHE   55 - HN    ARG+  54   4.23 +/- 0.24  20.415% * 18.4339% (0.76   3.45   4.16) =  15.273%  kept
          HB2   PHE   59 - HN    ASP-  62   5.46 +/- 0.85  13.215% *  0.4933% (0.09   0.75   6.41) =   0.265%  kept
          HD3   PRO   93 - HN    ARG+  54  10.62 +/- 3.95   4.069% *  0.1198% (0.85   0.02   0.02) =   0.020%
          HB2   PHE   59 - HN    ARG+  54   9.68 +/- 1.55   2.357% *  0.0703% (0.50   0.02   0.02) =   0.007%
          HD3   PRO   68 - HN    ARG+  54  19.09 +/- 4.51   0.610% *  0.1159% (0.82   0.02   0.02) =   0.003%
          HB3   CYS   53 - HN    ASP-  62  10.53 +/- 2.31   2.250% *  0.0248% (0.18   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ASP-  62  10.34 +/- 1.45   1.734% *  0.0217% (0.15   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    ASP-  62  13.63 +/- 2.94   1.117% *  0.0250% (0.18   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    ASP-  62  10.68 +/- 0.88   1.256% *  0.0200% (0.14   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  14.42 +/- 2.21   0.786% *  0.0224% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 6.59, residual support = 169.4:
      O   HB2   ARG+  54 - HN    ARG+  54   2.53 +/- 0.46  82.069% * 96.9633% (0.26  10.0   6.59 169.42) =  99.983%  kept
          HB3   PRO   68 - HN    ARG+  54  21.04 +/- 5.44   0.714% *  0.3457% (0.94   1.0   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    ARG+  54  14.75 +/- 2.82   0.618% *  0.2793% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ARG+  54  14.12 +/- 2.29   0.728% *  0.1974% (0.54   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASP-  62   9.33 +/- 0.98   2.122% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  14.02 +/- 3.30   1.418% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  12.38 +/- 1.32   1.003% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  13.92 +/- 1.88   0.665% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASP-  62  12.39 +/- 2.48   2.724% *  0.0181% (0.05   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  23.97 +/- 2.77   0.160% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  22.69 +/- 3.49   0.185% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ARG+  54  17.59 +/- 3.09   0.380% *  0.1190% (0.32   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    ARG+  54  20.58 +/- 5.51   0.949% *  0.0472% (0.13   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ARG+  54  24.78 +/- 2.98   0.144% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  24.11 +/- 2.68   0.169% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  16.33 +/- 2.58   0.432% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  16.87 +/- 1.49   0.404% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  16.76 +/- 1.84   0.416% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.85 +/- 2.83   0.085% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  27.47 +/- 3.23   0.101% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.93 +/- 1.99   1.674% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.55 +/- 2.41   0.389% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  21.97 +/- 2.35   0.187% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.55 +/- 1.03   0.761% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.17 +/- 2.45   0.494% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.69 +/- 2.84   0.210% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.18 +/- 1.34   0.629% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  22.57 +/- 3.39   0.169% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.907, support = 6.43, residual support = 161.3:
          HG2   ARG+  54 - HN    ARG+  54   3.40 +/- 0.47  51.393% * 81.8458% (0.94   6.59 169.42) =  95.182%  kept
          HB3   PRO   52 - HN    ARG+  54   5.30 +/- 0.26  14.820% * 13.3337% (0.29   3.45   1.92) =   4.472%  kept
          HB    ILE   56 - HN    ARG+  54   7.66 +/- 0.62   5.326% *  2.4853% (0.46   0.41   0.02) =   0.300%  kept
          HG3   PRO   68 - HN    ARG+  54  20.76 +/- 5.60   2.733% *  0.2419% (0.91   0.02   0.02) =   0.015%
          HB3   ASP- 105 - HN    ASP-  62  14.47 +/- 3.83   3.846% *  0.0468% (0.18   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   7.57 +/- 1.37   6.967% *  0.0228% (0.09   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ARG+  54  17.66 +/- 3.18   0.593% *  0.2419% (0.91   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ARG+  54  17.61 +/- 2.73   0.555% *  0.2314% (0.87   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ARG+  54  17.06 +/- 2.30   0.512% *  0.2248% (0.85   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    ARG+  54  18.73 +/- 4.22   1.442% *  0.0774% (0.29   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ARG+  54  20.34 +/- 3.02   0.348% *  0.2501% (0.94   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    ASP-  62  12.33 +/- 2.46   1.684% *  0.0465% (0.18   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  12.15 +/- 1.90   1.712% *  0.0453% (0.17   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ASP-  62  18.26 +/- 3.26   1.026% *  0.0465% (0.18   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  14.36 +/- 2.57   1.064% *  0.0421% (0.16   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ARG+  54  24.09 +/- 2.93   0.181% *  0.2457% (0.93   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.84 +/- 3.06   0.174% *  0.2484% (0.94   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP-  62  18.72 +/- 2.72   0.681% *  0.0433% (0.16   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ARG+  54  29.84 +/- 5.35   0.312% *  0.0855% (0.32   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  12.89 +/- 1.98   1.609% *  0.0145% (0.05   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ASP-  62  19.17 +/- 3.02   0.478% *  0.0460% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  19.59 +/- 2.97   0.413% *  0.0453% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.37 +/- 2.03   0.935% *  0.0145% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  24.23 +/- 2.74   0.220% *  0.0496% (0.19   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  21.42 +/- 2.87   0.393% *  0.0160% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.99 +/- 2.05   0.585% *  0.0093% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.171, support = 2.71, residual support = 7.94:
          QB    ALA   61 - HN    ASP-  62   2.75 +/- 0.25  68.551% * 53.7279% (0.16   2.79   8.19) =  96.717%  kept
          QG    LYS+  66 - HN    ASP-  62   6.77 +/- 1.34   6.215% *  9.4956% (0.11   0.75   0.84) =   1.550%  kept
          QB    ALA  110 - HN    ARG+  54  12.92 +/- 3.77   2.414% * 15.0008% (0.95   0.13   0.02) =   0.951%  kept
          HB3   LEU   67 - HN    ASP-  62   9.17 +/- 1.84   2.661% *  3.8217% (0.14   0.23   0.02) =   0.267%  kept
          QG    LYS+  66 - HN    ARG+  54  14.25 +/- 4.11   5.717% *  1.3533% (0.57   0.02   0.02) =   0.203%  kept
          QB    ALA   61 - HN    ARG+  54  10.09 +/- 1.59   2.597% *  2.0597% (0.87   0.02   0.02) =   0.140%  kept
          HG    LEU   80 - HN    ARG+  54  19.90 +/- 4.29   0.428% *  2.2262% (0.94   0.02   0.02) =   0.025%
          HG    LEU   73 - HN    ARG+  54  19.80 +/- 3.51   1.019% *  0.9173% (0.39   0.02   0.02) =   0.025%
          HB3   LEU   67 - HN    ARG+  54  17.74 +/- 2.61   0.396% *  1.7866% (0.76   0.02   0.02) =   0.019%
          HB2   LEU   80 - HN    ARG+  54  18.93 +/- 3.80   0.451% *  1.5326% (0.65   0.02   0.02) =   0.018%
          HB3   LYS+  74 - HN    ASP-  62  11.25 +/- 2.69   2.519% *  0.2032% (0.09   0.02   0.02) =   0.013%
          HB3   LYS+  74 - HN    ARG+  54  17.14 +/- 2.76   0.433% *  1.0860% (0.46   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    ARG+  54  22.56 +/- 2.89   0.167% *  2.2114% (0.94   0.02   0.02) =   0.010%
          HD3   LYS+ 121 - HN    ARG+  54  19.69 +/- 2.92   0.285% *  1.1739% (0.50   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    ASP-  62  13.49 +/- 1.82   1.807% *  0.1716% (0.07   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HN    ASP-  62  13.06 +/- 2.45   1.313% *  0.2196% (0.09   0.02   0.02) =   0.008%
          HG12  ILE   19 - HN    ASP-  62  14.57 +/- 1.50   0.560% *  0.4138% (0.18   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ASP-  62  14.91 +/- 1.87   0.501% *  0.4175% (0.18   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    ASP-  62  19.07 +/- 3.75   0.339% *  0.4166% (0.18   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ARG+  54  20.59 +/- 2.19   0.217% *  0.5564% (0.24   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  18.09 +/- 2.99   0.369% *  0.2868% (0.12   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.13 +/- 2.41   0.698% *  0.1041% (0.04   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  29.17 +/- 3.19   0.082% *  0.6887% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  23.24 +/- 3.58   0.258% *  0.1289% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.25 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 +/- 0.24  43.562% * 83.6626% (0.49  10.0   2.21  10.17) =  81.811%  kept
          HD2   PRO   52 - HN    GLY   51   2.61 +/- 0.83  53.149% * 15.2376% (0.34   1.0   5.20  13.57) =  18.180%  kept
          QB    SER   48 - HN    GLY   51   7.81 +/- 0.99   1.489% *  0.1314% (0.76   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    GLY   51  17.74 +/- 4.30   0.381% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  13.57 +/- 1.94   0.340% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    GLY   51  21.21 +/- 3.72   0.224% *  0.1626% (0.95   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  17.84 +/- 3.16   0.185% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    GLY   51  23.09 +/- 3.34   0.097% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  18.68 +/- 3.74   0.303% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  27.24 +/- 4.18   0.054% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  17.02 +/- 2.87   0.171% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.23 +/- 3.54   0.046% *  0.0340% (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 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.57, residual support = 7.49:
      O   QB    CYS   50 - HN    CYS   50   2.99 +/- 0.38  86.859% * 99.6254% (0.69  10.0   1.57   7.49) =  99.979%  kept
          HB3   ASP-  78 - HN    CYS   50  11.91 +/- 5.27   9.382% *  0.1546% (0.84   1.0   0.02   0.02) =   0.017%
          QE    LYS+  74 - HN    CYS   50  12.81 +/- 3.54   2.434% *  0.1344% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   HIS  122 - HN    CYS   50  20.96 +/- 3.25   1.003% *  0.0286% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  23.81 +/- 4.27   0.322% *  0.0571% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.05 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.0, residual support = 6.94:
          QB    ALA   47 - HN    CYS   50   2.86 +/- 1.01  88.341% * 97.6721% (0.57   2.00   6.94) =  99.916%  kept
          QB    ALA   64 - HN    CYS   50  13.41 +/- 1.81   3.146% *  1.2525% (0.73   0.02   0.02) =   0.046%
          HG2   LYS+ 112 - HN    CYS   50  13.98 +/- 4.03   6.858% *  0.3021% (0.18   0.02   0.02) =   0.024%
          QG1   VAL   42 - HN    CYS   50  14.17 +/- 1.41   1.654% *  0.7733% (0.45   0.02   0.02) =   0.015%
    Distance limit 4.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.297, support = 3.47, residual support = 14.4:
      O   HA    SER   48 - HN    TRP   49   3.49 +/- 0.04  36.326% * 70.3560% (0.22  10.0   3.25  14.44) =  67.101%  kept
          QB    SER   48 - HN    TRP   49   3.24 +/- 0.33  45.023% * 27.7617% (0.45   1.0   3.92  14.44) =  32.816%  kept
          HD2   PRO   52 - HN    TRP   49   5.98 +/- 1.02   9.448% *  0.2044% (0.65   1.0   0.02   3.11) =   0.051%
          HA2   GLY   51 - HN    TRP   49   7.36 +/- 0.96   4.535% *  0.0704% (0.22   1.0   0.02   0.02) =   0.008%
          HA    LYS+  65 - HN    TRP   49  17.44 +/- 5.05   0.948% *  0.3132% (0.99   1.0   0.02   0.02) =   0.008%
          QB    SER   85 - HN    TRP   49  15.30 +/- 2.87   0.631% *  0.3050% (0.97   1.0   0.02   0.02) =   0.005%
          HA    ALA   88 - HN    TRP   49  16.54 +/- 3.62   1.429% *  0.1299% (0.41   1.0   0.02   0.02) =   0.005%
          HB    THR   94 - HN    TRP   49  12.23 +/- 1.52   1.021% *  0.1078% (0.34   1.0   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    TRP   49  23.44 +/- 3.77   0.332% *  0.2171% (0.69   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    TRP   49  27.18 +/- 3.92   0.092% *  0.3050% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    TRP   49  24.86 +/- 3.19   0.149% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  29.04 +/- 2.47   0.067% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 3.98, residual support = 86.0:
      O   HB3   TRP   49 - HN    TRP   49   3.05 +/- 0.33  98.938% * 99.8958% (0.80  10.0   3.98  85.99) =  99.999%  kept
          HB3   PHE   59 - HN    TRP   49  14.89 +/- 1.54   1.062% *  0.1042% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 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 = 0.397, support = 2.46, residual support = 9.19:
      O   QB    SER   48 - HN    SER   48   2.30 +/- 0.19  58.802% * 66.2308% (0.45  10.0   2.42   9.19) =  77.382%  kept
      O   HA    SER   48 - HN    SER   48   2.76 +/- 0.05  34.594% * 32.8893% (0.22  10.0   2.61   9.19) =  22.607%  kept
          HD2   PRO   52 - HN    SER   48   7.82 +/- 1.37   2.131% *  0.0956% (0.65   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    SER   48  16.65 +/- 5.31   0.926% *  0.1464% (0.99   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    SER   48  13.81 +/- 3.09   0.661% *  0.1426% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    SER   48  15.01 +/- 3.88   0.935% *  0.0607% (0.41   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  10.88 +/- 1.53   0.796% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.64 +/- 0.92   0.908% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    SER   48  23.57 +/- 3.41   0.100% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  26.26 +/- 4.15   0.051% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  24.73 +/- 2.81   0.060% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.61 +/- 2.53   0.036% *  0.0662% (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 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.26:
          QB    ALA   47 - HN    SER   48   2.96 +/- 0.26  94.873% * 99.1194% (0.90   4.08   6.26) =  99.985%  kept
          QG1   VAL   42 - HN    SER   48  13.68 +/- 1.26   1.291% *  0.4341% (0.80   0.02   0.02) =   0.006%
          QB    ALA   64 - HN    SER   48  13.32 +/- 2.28   2.404% *  0.2035% (0.38   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    SER   48  16.02 +/- 3.48   1.432% *  0.2430% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.68 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 = 0.809, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.31 +/- 3.47  61.221% * 52.2208% (0.84   0.02   0.02) =  63.309%  kept
          HB2   TRP   87 - HN    ALA   47  13.82 +/- 2.82  38.779% * 47.7792% (0.76   0.02   0.02) =  36.691%  kept
    Distance limit 4.30 A violated in 20 structures by 4.92 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.41, residual support = 6.3:
          QB    CYS   50 - HN    ALA   47   4.23 +/- 0.65  65.794% * 72.2096% (0.97   1.50   6.94) =  90.725%  kept
          QE    LYS+  74 - HN    ALA   47  10.20 +/- 3.98  18.087% * 26.4373% (0.98   0.54   0.02) =   9.131%  kept
          HB3   ASP-  78 - HN    ALA   47  10.40 +/- 4.38  13.679% *  0.4856% (0.49   0.02   0.02) =   0.127%  kept
          HB3   ASN   69 - HN    ALA   47  21.13 +/- 3.25   0.788% *  0.6454% (0.65   0.02   0.02) =   0.010%
          HB2   PHE   72 - HN    ALA   47  14.90 +/- 1.86   1.651% *  0.2221% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.04 A violated in 0 structures by 0.13 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 11.4:
          QG2   THR   46 - HN    ALA   47   3.39 +/- 0.62  90.833% * 97.5679% (0.97   3.20  11.36) =  99.950%  kept
          QG1   VAL   43 - HN    ALA   47  11.06 +/- 1.13   3.670% *  0.4337% (0.69   0.02   0.02) =   0.018%
          QG2   VAL   18 - HN    ALA   47  13.12 +/- 3.75   2.542% *  0.5663% (0.90   0.02   0.02) =   0.016%
          QD2   LEU  104 - HN    ALA   47  18.24 +/- 1.96   1.105% *  0.5274% (0.84   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    ALA   47  17.03 +/- 2.90   0.950% *  0.5973% (0.95   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    ALA   47  16.71 +/- 0.87   0.900% *  0.3074% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.13 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 = 2.31, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.33 +/- 0.18  95.841% * 99.7622% (0.57  10.0   2.31  10.78) =  99.997%  kept
          QB    ALA   64 - HN    ALA   47  10.95 +/- 1.87   1.253% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  11.20 +/- 0.63   0.940% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    ALA   47  12.75 +/- 3.66   1.966% *  0.0309% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 3.88 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 = 3.22, residual support = 34.2:
      O   HB    THR   46 - HN    THR   46   3.28 +/- 0.41  95.463% * 99.3656% (0.25  10.0   3.22  34.20) =  99.989%  kept
          HA    LYS+ 112 - HN    THR   46  13.57 +/- 2.11   2.071% *  0.3045% (0.76   1.0   0.02   0.02) =   0.007%
          HB2   HIS   22 - HN    THR   46  14.97 +/- 4.44   1.786% *  0.1359% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   HIS  122 - HN    THR   46  18.68 +/- 2.04   0.680% *  0.1940% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.31 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 = 0.604, support = 3.33, residual support = 9.86:
          QG2   THR   77 - HN    THR   46   3.82 +/- 3.67  58.215% * 67.2430% (0.61   3.60  11.15) =  88.354%  kept
          QB    ALA   88 - HN    THR   46  10.88 +/- 2.27  14.828% * 17.4241% (0.95   0.60   0.02) =   5.831%  kept
          HB3   ASP-  44 - HN    THR   46   6.24 +/- 0.76  19.663% * 12.9982% (0.22   1.90   0.10) =   5.769%  kept
          HB3   LEU   80 - HN    THR   46  10.59 +/- 2.41   2.854% *  0.2529% (0.41   0.02   0.02) =   0.016%
          HB2   LEU   63 - HN    THR   46  11.34 +/- 1.96   2.444% *  0.1899% (0.31   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - HN    THR   46  16.90 +/- 2.57   0.954% *  0.3980% (0.65   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    THR   46  21.06 +/- 1.28   0.341% *  0.5518% (0.90   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    THR   46  24.54 +/- 1.70   0.262% *  0.5938% (0.97   0.02   0.02) =   0.004%
          HB2   LEU   31 - HN    THR   46  19.08 +/- 2.45   0.441% *  0.3483% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.856, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  11.18 +/- 1.59  35.544% * 32.0586% (0.99   0.02   0.02) =  46.901%  kept
          QD1   ILE  119 - HN    THR   46  12.02 +/- 1.56  28.896% * 25.8997% (0.80   0.02   0.02) =  30.804%  kept
          HB2   LEU  104 - HN    THR   46  17.71 +/- 1.58   8.456% * 32.0586% (0.99   0.02   0.02) =  11.158%  kept
          HG3   LYS+ 112 - HN    THR   46  14.17 +/- 3.62  27.104% *  9.9831% (0.31   0.02   0.02) =  11.137%  kept
    Distance limit 4.74 A violated in 20 structures by 4.56 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 3.35, residual support = 34.2:
          QG2   THR   46 - HN    THR   46   2.47 +/- 0.43  87.064% * 97.3761% (0.97   3.35  34.20) =  99.934%  kept
          QG1   VAL   43 - HN    THR   46   7.76 +/- 1.17   6.119% *  0.5691% (0.95   0.02   0.02) =   0.041%
          QG2   VAL   18 - HN    THR   46  11.32 +/- 3.84   1.673% *  0.6003% (1.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    THR   46  14.71 +/- 2.90   0.786% *  0.4133% (0.69   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    THR   46  13.73 +/- 0.89   0.674% *  0.4818% (0.80   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    THR   46   9.76 +/- 2.09   2.806% *  0.0928% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    THR   46  15.75 +/- 1.69   0.460% *  0.3165% (0.53   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    THR   46  16.88 +/- 2.39   0.417% *  0.1500% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.65, residual support = 1.56:
          QG1   VAL   75 - HN    THR   46   4.35 +/- 2.69  79.090% * 99.0067% (0.92   1.65   1.56) =  99.735%  kept
          QD1   LEU  115 - HN    THR   46   9.33 +/- 1.61  20.910% *  0.9933% (0.76   0.02   0.02) =   0.265%  kept
    Distance limit 4.58 A violated in 2 structures by 0.43 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.28, residual support = 27.6:
          HB    THR   94 - HN    PHE   45   3.87 +/- 0.58  64.445% * 92.8140% (0.65   3.30  27.70) =  99.542%  kept
          HA    LYS+  65 - HN    PHE   45  11.37 +/- 3.89  12.457% *  0.8031% (0.92   0.02   0.02) =   0.166%  kept
          HA    ALA   88 - HN    PHE   45  11.95 +/- 1.50   5.181% *  1.6142% (0.18   0.21   0.60) =   0.139%  kept
          QB    SER   85 - HN    PHE   45  12.83 +/- 1.37   2.902% *  0.8396% (0.97   0.02   0.02) =   0.041%
          QB    SER   48 - HN    PHE   45  11.17 +/- 0.70   3.205% *  0.6648% (0.76   0.02   0.02) =   0.035%
          HA2   GLY   51 - HN    PHE   45  14.73 +/- 1.50   3.040% *  0.4235% (0.49   0.02   0.02) =   0.021%
          HD2   PRO   52 - HN    PHE   45  12.17 +/- 1.71   3.856% *  0.2967% (0.34   0.02   0.02) =   0.019%
          HA    ALA  120 - HN    PHE   45  16.82 +/- 2.11   0.865% *  0.8229% (0.95   0.02   0.02) =   0.012%
          HA2   GLY   16 - HN    PHE   45  20.15 +/- 3.24   0.570% *  0.8396% (0.97   0.02   0.02) =   0.008%
          QB    SER  117 - HN    PHE   45  12.97 +/- 1.93   2.093% *  0.2169% (0.25   0.02   0.02) =   0.008%
          HA    LYS+ 121 - HN    PHE   45  17.03 +/- 2.35   0.850% *  0.4925% (0.57   0.02   0.02) =   0.007%
          HA    GLN   32 - HN    PHE   45  20.46 +/- 1.80   0.534% *  0.1722% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.62, residual support = 80.0:
      O   HB2   PHE   45 - HN    PHE   45   2.60 +/- 0.54  96.127% * 99.8561% (0.99  10.0   3.62  79.95) =  99.998%  kept
          HB2   CYS   21 - HN    PHE   45  13.15 +/- 3.68   3.189% *  0.0452% (0.45   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 111 - HN    PHE   45  14.51 +/- 1.86   0.683% *  0.0988% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 79.9:
      O   HB3   PHE   45 - HN    PHE   45   3.27 +/- 0.42  76.527% * 99.6079% (0.87  10.0   3.95  79.95) =  99.979%  kept
          QE    LYS+ 112 - HN    PHE   45  10.82 +/- 3.31   7.648% *  0.0996% (0.87   1.0   0.02   0.02) =   0.010%
          HB    VAL  107 - HN    PHE   45   8.25 +/- 1.17   6.602% *  0.0515% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    PHE   45  10.77 +/- 3.03   7.443% *  0.0431% (0.38   1.0   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    PHE   45  12.92 +/- 0.98   1.433% *  0.0919% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   45  21.03 +/- 1.90   0.346% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.452, support = 3.65, residual support = 15.1:
          HB3   ASP-  44 - HN    PHE   45   3.72 +/- 0.46  43.698% * 45.2360% (0.49   4.10  17.78) =  75.715%  kept
          QG2   THR   77 - HN    PHE   45   5.51 +/- 2.42  21.414% * 18.0089% (0.31   2.57  10.19) =  14.771%  kept
          QB    ALA   88 - HN    PHE   45   9.80 +/- 1.99   5.509% * 20.6481% (0.69   1.33   0.60) =   4.357%  kept
          HB3   PRO   93 - HN    PHE   45   6.09 +/- 0.86  12.667% *  8.5081% (0.15   2.43   2.39) =   4.128%  kept
          QB    ALA   84 - HN    PHE   45   8.51 +/- 1.45   4.666% *  5.0257% (0.18   1.27   0.48) =   0.898%  kept
          HB2   LEU   63 - HN    PHE   45   9.48 +/- 2.25   5.327% *  0.2749% (0.61   0.02   0.02) =   0.056%
          HB3   LEU   80 - HN    PHE   45  11.75 +/- 2.46   2.400% *  0.3292% (0.73   0.02   0.02) =   0.030%
          HG2   LYS+ 111 - HN    PHE   45  15.33 +/- 2.20   0.891% *  0.4184% (0.92   0.02   0.02) =   0.014%
          HB2   LEU   31 - HN    PHE   45  17.10 +/- 2.20   0.546% *  0.3932% (0.87   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    PHE   45  11.72 +/- 1.87   1.806% *  0.1130% (0.25   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HN    PHE   45  17.91 +/- 0.63   0.405% *  0.4523% (1.00   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    PHE   45  21.58 +/- 1.73   0.273% *  0.4375% (0.97   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    PHE   45  18.96 +/- 2.31   0.396% *  0.1546% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.29 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 = 0.833, support = 1.07, residual support = 12.6:
          QD1   ILE   89 - HN    PHE   45   4.69 +/- 1.23  70.039% * 57.4732% (0.80   1.15  15.03) =  82.145%  kept
          QG2   VAL   83 - HN    PHE   45   8.53 +/- 1.33  20.862% * 41.4881% (0.98   0.68   1.31) =  17.662%  kept
          QD2   LEU   31 - HN    PHE   45  12.30 +/- 2.08   9.099% *  1.0387% (0.84   0.02   0.02) =   0.193%  kept
    Distance limit 4.44 A violated in 3 structures by 0.49 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.1, residual support = 12.4:
          HB3   PHE   45 - HN    THR   46   3.32 +/- 0.52  80.806% * 98.4416% (1.00   4.10  12.41) =  99.931%  kept
          QE    LYS+ 112 - HN    THR   46  11.86 +/- 3.54   6.996% *  0.4802% (1.00   0.02   0.02) =   0.042%
          HB    VAL  107 - HN    THR   46  11.68 +/- 0.88   2.941% *  0.3854% (0.80   0.02   0.02) =   0.014%
          HB3   ASP-  62 - HN    THR   46  12.37 +/- 3.34   6.594% *  0.0651% (0.14   0.02   0.02) =   0.005%
          HB3   ASP-  86 - HN    THR   46  13.39 +/- 1.95   1.863% *  0.2158% (0.45   0.02   0.02) =   0.005%
          HG2   GLU-  29 - HN    THR   46  22.07 +/- 2.34   0.397% *  0.2919% (0.61   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    THR   46  21.76 +/- 1.78   0.403% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.743, residual support = 8.04:
          HN    CYS   50 - HN    CYS   53   4.87 +/- 0.41  97.052% * 77.1198% (0.87  1.00   0.75   8.11) =  99.107%  kept
        T HN    VAL   83 - HN    CYS   53  18.85 +/- 3.74   2.948% * 22.8802% (0.97 10.00   0.02   0.02) =   0.893%  kept
    Distance limit 4.87 A violated in 0 structures by 0.16 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 55.5:
      O   HA    PRO   52 - HN    CYS   53   3.46 +/- 0.02  96.940% * 99.8358% (0.61  10.0   7.18  55.46) =  99.995%  kept
          HA    LYS+ 111 - HN    CYS   53  12.86 +/- 3.54   3.060% *  0.1642% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.68 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 = 4.77, residual support = 44.2:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.04  98.491% * 99.7036% (0.90  10.0   4.77  44.24) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  15.33 +/- 2.80   0.767% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  21.57 +/- 2.53   0.256% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  26.30 +/- 2.47   0.125% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  26.54 +/- 3.04   0.133% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  28.31 +/- 2.55   0.100% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.78 +/- 2.75   0.128% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.352, support = 7.84, residual support = 51.4:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.02  84.082% * 60.8654% (0.34   8.19  55.46) =  92.653%  kept
          HA2   GLY   51 - HN    CYS   53   4.50 +/- 0.20  11.129% * 36.3470% (0.49   3.43   0.24) =   7.323%  kept
          QB    SER   48 - HN    CYS   53   9.07 +/- 0.98   1.529% *  0.3329% (0.76   0.02   0.02) =   0.009%
          HB    THR   94 - HN    CYS   53  12.31 +/- 2.15   0.666% *  0.2818% (0.65   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    CYS   53  18.41 +/- 3.53   0.416% *  0.4121% (0.95   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    CYS   53  16.49 +/- 3.25   0.357% *  0.4021% (0.92   0.02   0.02) =   0.003%
          QB    SER   85 - HN    CYS   53  17.89 +/- 2.79   0.270% *  0.4204% (0.97   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    CYS   53  18.25 +/- 3.49   0.794% *  0.0763% (0.18   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    CYS   53  20.26 +/- 3.23   0.201% *  0.2466% (0.57   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  14.65 +/- 2.63   0.436% *  0.1086% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  25.95 +/- 3.30   0.067% *  0.4204% (0.97   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    CYS   53  29.01 +/- 3.06   0.054% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.948, support = 4.99, residual support = 45.1:
      O   HB2   CYS   53 - HN    CYS   53   2.75 +/- 0.45  65.691% * 84.9052% (0.98  10.0   4.91  44.24) =  92.315%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.00  31.177% * 14.8881% (0.57   1.0   6.07  55.46) =   7.683%  kept
          HD2   PRO   58 - HN    CYS   53   9.11 +/- 1.22   2.651% *  0.0560% (0.65   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    CYS   53  19.45 +/- 3.98   0.311% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.77 +/- 2.50   0.100% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.12 +/- 2.29   0.068% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.964, support = 6.01, residual support = 43.1:
      O   HB3   CYS   53 - HN    CYS   53   2.57 +/- 0.57  67.689% * 75.9929% (0.97  10.0   6.14  44.24) =  95.853%  kept
          HD2   ARG+  54 - HN    CYS   53   6.55 +/- 1.04   7.981% * 15.6246% (0.92   1.0   4.30  31.73) =   2.324%  kept
          QB    PHE   55 - HN    CYS   53   4.94 +/- 0.34  13.140% *  5.9987% (0.97   1.0   1.58   0.02) =   1.469%  kept
          HD3   PRO   93 - HN    CYS   53   8.97 +/- 3.98   8.402% *  2.2456% (1.00   1.0   0.57   0.02) =   0.352%  kept
          HB2   PHE   59 - HN    CYS   53  10.10 +/- 1.88   2.292% *  0.0602% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    CYS   53  19.38 +/- 4.03   0.497% *  0.0780% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 0.686, support = 2.95, residual support = 8.1:
          QB    CYS   50 - HN    CYS   53   4.11 +/- 0.83  79.172% * 98.0434% (0.69   2.95   8.11) =  99.847%  kept
          HB3   ASP-  78 - HN    CYS   53  14.58 +/- 4.65   8.970% *  0.8073% (0.84   0.02   0.02) =   0.093%
          QE    LYS+  74 - HN    CYS   53  13.45 +/- 3.07   4.957% *  0.7018% (0.73   0.02   0.02) =   0.045%
          HB3   HIS  122 - HN    CYS   53  17.95 +/- 3.75   6.105% *  0.1491% (0.15   0.02   0.02) =   0.012%
          HB3   ASN   69 - HN    CYS   53  22.44 +/- 3.87   0.795% *  0.2983% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 55.4:
          HG2   PRO   52 - HN    CYS   53   3.15 +/- 0.38  82.087% * 94.9790% (0.25   7.20  55.46) =  99.857%  kept
          HG2   MET   92 - HN    CYS   53  10.25 +/- 4.13   8.185% *  0.8085% (0.76   0.02   0.02) =   0.085%
          HB2   GLU-  79 - HN    CYS   53  15.88 +/- 4.25   2.965% *  0.6416% (0.61   0.02   0.02) =   0.024%
          QG    GLU- 114 - HN    CYS   53  13.07 +/- 2.71   2.041% *  0.7267% (0.69   0.02   0.02) =   0.019%
          HB2   ASP-  44 - HN    CYS   53  12.44 +/- 1.84   1.879% *  0.2638% (0.25   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    CYS   53  14.18 +/- 2.75   1.403% *  0.1432% (0.14   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    CYS   53  18.12 +/- 2.79   0.776% *  0.1853% (0.18   0.02   0.02) =   0.002%
          QB    MET   11 - HN    CYS   53  30.78 +/- 5.19   0.130% *  0.8471% (0.80   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  32.11 +/- 3.43   0.097% *  0.8085% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   53  25.00 +/- 2.64   0.214% *  0.3609% (0.34   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  25.49 +/- 3.44   0.223% *  0.2355% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.99 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 = 0.937, support = 7.01, residual support = 54.2:
          HG3   PRO   52 - HN    CYS   53   4.09 +/- 0.35  51.049% * 90.6568% (0.98   7.20  55.46) =  94.595%  kept
          HB2   ARG+  54 - HN    CYS   53   5.00 +/- 0.57  31.349% *  8.3665% (0.18   3.72  31.73) =   5.361%  kept
          HB2   PRO   93 - HN    CYS   53   8.60 +/- 2.78  11.345% *  0.1056% (0.41   0.02   0.02) =   0.024%
          HG2   PRO   58 - HN    CYS   53  10.95 +/- 0.78   2.839% *  0.2518% (0.98   0.02   0.02) =   0.015%
          HB2   PRO   68 - HN    CYS   53  22.14 +/- 5.09   1.114% *  0.0714% (0.28   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    CYS   53  16.18 +/- 3.54   1.953% *  0.0348% (0.14   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    CYS   53  28.47 +/- 3.55   0.209% *  0.2563% (1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    CYS   53  34.94 +/- 6.02   0.142% *  0.2569% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.48 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 = 0.67, support = 7.24, residual support = 53.3:
      O   HB3   PRO   52 - HN    CYS   53   3.98 +/- 0.39  59.827% * 77.7457% (0.65  10.0   7.57  55.46) =  90.872%  kept
          HG2   ARG+  54 - HN    CYS   53   5.75 +/- 0.57  21.751% * 21.4335% (0.90   1.0   3.98  31.73) =   9.108%  kept
          HB    ILE   56 - HN    CYS   53   8.22 +/- 0.82   8.493% *  0.0238% (0.20   1.0   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    CYS   53  21.11 +/- 5.05   1.238% *  0.1137% (0.95   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYS   53  15.78 +/- 3.23   1.616% *  0.0826% (0.69   1.0   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    CYS   53  19.19 +/- 4.41   1.711% *  0.0777% (0.65   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    CYS   53  16.19 +/- 2.74   1.527% *  0.0729% (0.61   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    CYS   53  15.97 +/- 2.63   1.616% *  0.0680% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    CYS   53  19.70 +/- 2.97   0.637% *  0.1042% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    CYS   53  23.05 +/- 3.15   0.434% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  25.50 +/- 2.75   0.291% *  0.0918% (0.76   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  21.71 +/- 2.55   0.438% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.66 +/- 1.88   0.421% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.774, support = 5.85, residual support = 44.2:
        T HN    GLN   32 - HN    LEU   31   2.63 +/- 0.17  81.177% * 97.0531% (0.78 10.00   5.87  44.39) =  99.521%  kept
          HN    ALA   34 - HN    LEU   31   4.60 +/- 0.33  16.815% *  2.2491% (0.14  1.00   2.51  10.14) =   0.478%  kept
        T HN    GLN   32 - HN    PHE   55  28.28 +/- 3.56   0.101% *  0.4734% (0.38 10.00   0.02   0.02) =   0.001%
          HN    SER   85 - HN    LEU   31  20.64 +/- 6.00   0.309% *  0.1159% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  12.16 +/- 2.01   1.000% *  0.0141% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.22 +/- 3.45   0.243% *  0.0566% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.93 +/- 1.95   0.245% *  0.0290% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.62 +/- 3.61   0.109% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.546, support = 7.04, residual support = 48.9:
        T HN    GLN   30 - HN    LEU   31   2.56 +/- 0.07  82.005% * 78.2858% (0.53 10.00   7.25  51.52) =  94.924%  kept
          HN    GLU-  29 - HN    LEU   31   4.40 +/- 0.21  16.282% * 21.0759% (0.91  1.00   3.11   0.42) =   5.074%  kept
        T HN    GLN   30 - HN    PHE   55  26.50 +/- 3.27   0.111% *  0.3819% (0.26 10.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  19.41 +/- 6.26   0.414% *  0.0895% (0.60  1.00   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    LEU   31  13.42 +/- 1.25   0.630% *  0.0384% (0.26  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.94 +/- 3.99   0.268% *  0.0436% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.95 +/- 3.49   0.094% *  0.0661% (0.44  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  21.01 +/- 3.46   0.197% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.481, support = 3.34, residual support = 21.3:
      O   HA    PHE   55 - HN    PHE   55   2.80 +/- 0.06  76.304% * 97.4695% (0.48  10.0   3.35  21.29) =  99.815%  kept
          HA    TRP   27 - HN    LEU   31   4.60 +/- 0.30  18.059% *  0.5442% (0.13   1.0   0.40  22.59) =   0.132%  kept
          HA    ALA  110 - HN    PHE   55  14.27 +/- 4.79   2.924% *  1.2654% (0.71   1.0   0.18   0.22) =   0.050%
          HA    GLN   90 - HN    PHE   55  17.48 +/- 3.20   0.427% *  0.1287% (0.64   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    PHE   55  15.95 +/- 2.60   0.527% *  0.0910% (0.45   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  15.32 +/- 3.50   0.709% *  0.0661% (0.33   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  22.58 +/- 4.07   0.197% *  0.0975% (0.48   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.24 +/- 4.12   0.258% *  0.0738% (0.37   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.36 +/- 2.75   0.198% *  0.0689% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  27.62 +/- 3.02   0.088% *  0.1092% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  24.30 +/- 3.06   0.135% *  0.0500% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  24.08 +/- 2.87   0.174% *  0.0358% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.786, support = 3.14, residual support = 21.0:
      O   QB    PHE   55 - HN    PHE   55   2.07 +/- 0.10  84.165% * 82.1782% (0.79  10.0   3.13  21.29) =  98.400%  kept
          HD2   ARG+  54 - HN    PHE   55   5.05 +/- 0.43   6.857% * 14.0460% (0.69   1.0   3.91   4.16) =   1.370%  kept
          HB3   CYS   53 - HN    PHE   55   5.37 +/- 0.20   4.982% *  3.1883% (0.73   1.0   0.83   0.02) =   0.226%  kept
          HD3   PRO   93 - HN    PHE   55  11.01 +/- 4.27   1.456% *  0.0827% (0.79   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HN    PHE   55   8.53 +/- 1.31   1.644% *  0.0693% (0.66   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    PHE   55  18.96 +/- 3.72   0.299% *  0.0829% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  17.69 +/- 2.07   0.160% *  0.0628% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.87 +/- 3.31   0.138% *  0.0622% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.41 +/- 2.09   0.088% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.41 +/- 2.29   0.069% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  28.19 +/- 4.57   0.078% *  0.0545% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  23.48 +/- 2.39   0.066% *  0.0580% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.329, support = 3.59, residual support = 8.98:
      O   HA    ARG+  54 - HN    PHE   55   3.52 +/- 0.03  39.796% * 65.4524% (0.25  10.0   3.28   4.16) =  67.075%  kept
          HA    ASN   28 - HN    LEU   31   3.42 +/- 0.11  43.541% * 28.7965% (0.50   1.0   4.29  19.19) =  32.288%  kept
          HA    THR   26 - HN    LEU   31   6.71 +/- 0.35   5.919% *  3.8968% (0.39   1.0   0.75   0.02) =   0.594%  kept
          HA    ALA   34 - HN    LEU   31   6.90 +/- 0.45   5.556% *  0.1550% (0.58   1.0   0.02  10.14) =   0.022%
          HA1   GLY  101 - HN    LEU   31  14.12 +/- 5.20   1.699% *  0.1603% (0.60   1.0   0.02   0.02) =   0.007%
          HA    LEU  115 - HN    PHE   55  12.08 +/- 2.04   1.278% *  0.1839% (0.69   1.0   0.02   4.57) =   0.006%
          HA    GLU- 114 - HN    PHE   55  14.43 +/- 2.37   0.710% *  0.2006% (0.75   1.0   0.02   0.02) =   0.004%
          HA    ASN   28 - HN    PHE   55  26.48 +/- 3.83   0.240% *  0.1771% (0.66   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  27.23 +/- 3.73   0.155% *  0.2047% (0.77   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   31  22.04 +/- 2.27   0.184% *  0.1393% (0.52   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  25.64 +/- 2.85   0.120% *  0.1520% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  29.26 +/- 2.79   0.078% *  0.2116% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  22.43 +/- 3.95   0.326% *  0.0472% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  27.69 +/- 3.27   0.109% *  0.1372% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  25.33 +/- 3.45   0.151% *  0.0496% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  25.74 +/- 4.22   0.137% *  0.0358% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 7.14, residual support = 230.8:
      O   HA    LEU   31 - HN    LEU   31   2.80 +/- 0.05  99.707% * 99.9512% (0.60  10.0   7.14 230.79) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.82 +/- 3.56   0.293% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.497, support = 5.91, residual support = 42.4:
          HB2   GLN   30 - HN    LEU   31   3.44 +/- 0.32  37.765% * 34.0274% (0.48   6.16  51.52) =  51.362%  kept
          HG3   GLN   30 - HN    LEU   31   5.05 +/- 0.57  14.829% * 49.4689% (0.60   7.23  51.52) =  29.320%  kept
          HB2   ARG+  54 - HN    PHE   55   3.60 +/- 0.38  33.358% * 14.4531% (0.39   3.26   4.16) =  19.270%  kept
          QB    GLU-  15 - HN    LEU   31  11.08 +/- 2.57   3.269% *  0.0672% (0.29   0.02   0.02) =   0.009%
          HB    ILE  119 - HN    PHE   55  12.59 +/- 2.13   1.241% *  0.1459% (0.64   0.02   0.02) =   0.007%
          HB3   GLU- 100 - HN    LEU   31  14.59 +/- 4.45   1.408% *  0.1197% (0.52   0.02   0.02) =   0.007%
          HB3   PRO   68 - HN    PHE   55  20.90 +/- 4.72   0.729% *  0.1581% (0.69   0.02   0.02) =   0.005%
          HB2   PRO   93 - HN    PHE   55  10.28 +/- 3.11   2.502% *  0.0406% (0.18   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HN    PHE   55  13.53 +/- 3.52   0.788% *  0.1032% (0.45   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.55 +/- 0.33   1.246% *  0.0426% (0.19   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LEU   31  18.12 +/- 2.99   0.397% *  0.1197% (0.52   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LEU   31  14.25 +/- 2.01   0.649% *  0.0672% (0.29   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    PHE   55  17.36 +/- 3.20   0.359% *  0.1032% (0.45   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    PHE   55  24.49 +/- 3.13   0.139% *  0.1806% (0.79   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  24.57 +/- 3.08   0.145% *  0.1459% (0.64   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  22.86 +/- 2.70   0.162% *  0.1105% (0.48   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  23.08 +/- 3.28   0.156% *  0.0887% (0.39   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  22.31 +/- 3.84   0.167% *  0.0782% (0.34   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    LEU   31  26.86 +/- 4.16   0.174% *  0.0672% (0.29   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  25.00 +/- 3.15   0.130% *  0.0887% (0.39   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  29.91 +/- 2.70   0.063% *  0.1581% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.99 +/- 2.37   0.077% *  0.0782% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  28.48 +/- 3.73   0.090% *  0.0563% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  21.39 +/- 1.68   0.155% *  0.0307% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 7.14, residual support = 230.8:
      O   HB2   LEU   31 - HN    LEU   31   2.62 +/- 0.17  80.774% * 98.5368% (0.78  10.0   7.14 230.79) =  99.984%  kept
          HG    LEU   98 - HN    LEU   31  12.43 +/- 4.17   3.749% *  0.1023% (0.81   1.0   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    LEU   31  13.88 +/- 3.83   2.103% *  0.0574% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    PHE   55   9.90 +/- 3.08   2.828% *  0.0418% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  12.08 +/- 2.57   2.001% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  18.46 +/- 7.23   0.738% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  13.07 +/- 2.02   0.983% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  15.38 +/- 1.65   0.470% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  13.87 +/- 4.40   1.196% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  17.44 +/- 3.05   0.421% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  11.95 +/- 1.54   1.109% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  16.94 +/- 4.31   0.522% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  21.73 +/- 3.67   0.237% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.48 +/- 2.36   0.557% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  18.98 +/- 3.41   0.443% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.16 +/- 4.11   0.374% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  21.37 +/- 1.92   0.181% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.69 +/- 3.54   0.375% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.55 +/- 2.89   0.173% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.82 +/- 3.92   0.167% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  28.57 +/- 2.74   0.070% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  29.97 +/- 5.30   0.187% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.71 +/- 2.78   0.248% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.05 +/- 3.13   0.095% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 7.14, residual support = 230.8:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.04  72.914% * 99.4260% (0.83  10.0   7.14 230.79) =  99.987%  kept
          QB    ALA   20 - HN    LEU   31  10.28 +/- 0.94   3.287% *  0.0994% (0.83   1.0   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - HN    PHE   55   9.16 +/- 3.10   9.093% *  0.0167% (0.14   1.0   0.02   1.08) =   0.002%
          HG13  ILE  119 - HN    PHE   55  11.77 +/- 2.18   2.717% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   9.11 +/- 0.23   4.267% *  0.0247% (0.21   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  11.30 +/- 2.44   3.276% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    LEU   31  21.56 +/- 3.04   0.497% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    PHE   55  17.99 +/- 2.97   0.780% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    PHE   55  26.15 +/- 3.99   0.552% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  21.68 +/- 4.55   0.435% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.37 +/- 2.22   0.733% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  19.47 +/- 2.57   0.561% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.92 +/- 3.84   0.236% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.99 +/- 3.65   0.652% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.62, support = 7.0, residual support = 198.8:
          HG    LEU   31 - HN    LEU   31   2.54 +/- 0.47  56.023% * 62.9769% (0.64   7.67 230.79) =  84.939%  kept
          QD1   ILE   56 - HN    PHE   55   3.94 +/- 1.11  23.933% * 20.8549% (0.45   3.61  22.77) =  12.016%  kept
          QD2   LEU   73 - HN    LEU   31   6.28 +/- 2.35   8.145% * 15.4474% (0.78   1.55   2.00) =   3.029%  kept
          QG1   VAL   41 - HN    LEU   31   6.60 +/- 2.58   9.362% *  0.0419% (0.16   0.02   0.02) =   0.009%
          QD2   LEU   73 - HN    PHE   55  16.41 +/- 3.12   1.240% *  0.0974% (0.38   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    LEU   31  19.55 +/- 2.23   0.266% *  0.2369% (0.92   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    PHE   55  24.91 +/- 3.90   0.414% *  0.0801% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   31  21.16 +/- 4.86   0.129% *  0.1642% (0.64   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  19.06 +/- 2.29   0.203% *  0.0801% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.91 +/- 2.31   0.286% *  0.0204% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.9, residual support = 230.7:
          QD2   LEU   31 - HN    LEU   31   1.94 +/- 0.26  97.594% * 97.7498% (0.18   6.90 230.79) =  99.969%  kept
          QG2   VAL   43 - HN    LEU   31   9.51 +/- 3.02   1.967% *  1.4195% (0.92   0.02   0.02) =   0.029%
          QG2   VAL   43 - HN    PHE   55  15.70 +/- 1.88   0.272% *  0.6925% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    PHE   55  20.48 +/- 3.06   0.167% *  0.1383% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.647, support = 1.68, residual support = 1.79:
          QD1   LEU   73 - HN    LEU   31   5.76 +/- 2.68  33.297% * 59.0150% (0.60   1.95   2.00) =  80.301%  kept
          QD1   LEU  104 - HN    LEU   31  12.26 +/- 3.98  12.505% * 31.1616% (0.92   0.67   0.30) =  15.925%  kept
          QD2   LEU  115 - HN    PHE   55   7.71 +/- 1.90  14.309% *  5.0435% (0.43   0.23   4.57) =   2.949%  kept
          QD2   LEU   80 - HN    LEU   31  15.17 +/- 7.38   6.074% *  0.9035% (0.90   0.02   0.02) =   0.224%  kept
          QG1   VAL   83 - HN    LEU   31  13.70 +/- 6.26   6.353% *  0.6056% (0.60   0.02   0.02) =   0.157%  kept
          QD1   LEU   63 - HN    LEU   31  14.37 +/- 3.09   5.443% *  0.6056% (0.60   0.02   0.02) =   0.135%  kept
          QD1   LEU   63 - HN    PHE   55  10.40 +/- 2.39   9.713% *  0.2954% (0.29   0.02   0.02) =   0.117%  kept
          QD1   LEU   73 - HN    PHE   55  17.53 +/- 3.66   5.772% *  0.2954% (0.29   0.02   0.02) =   0.070%
          QD2   LEU   80 - HN    PHE   55  18.01 +/- 4.06   2.929% *  0.4407% (0.44   0.02   0.02) =   0.053%
          QD2   LEU  115 - HN    LEU   31  18.73 +/- 1.87   0.821% *  0.8856% (0.88   0.02   0.02) =   0.030%
          QG1   VAL   83 - HN    PHE   55  18.18 +/- 3.82   1.849% *  0.2954% (0.29   0.02   0.02) =   0.022%
          QD1   LEU  104 - HN    PHE   55  19.47 +/- 2.82   0.934% *  0.4527% (0.45   0.02   0.02) =   0.017%
    Distance limit 4.84 A violated in 0 structures by 0.22 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.668, support = 8.2, residual support = 51.1:
          HB3   GLN   30 - HN    LEU   31   2.91 +/- 0.23  79.022% * 87.9831% (0.68   8.26  51.52) =  98.608%  kept
          HB    ILE   56 - HN    PHE   55   6.08 +/- 0.45   9.406% * 10.2883% (0.17   3.83  22.77) =   1.372%  kept
          HB2   MET   92 - HN    PHE   55  12.50 +/- 4.12   3.660% *  0.1242% (0.39   0.02   0.02) =   0.006%
          HB3   PRO   58 - HN    PHE   55  10.34 +/- 0.87   1.973% *  0.1403% (0.44   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    LEU   31  12.52 +/- 1.10   1.139% *  0.1544% (0.49   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HN    LEU   31  13.94 +/- 2.87   1.547% *  0.1101% (0.35   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  19.53 +/- 4.63   0.521% *  0.1661% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   31  22.68 +/- 2.66   0.246% *  0.2876% (0.91   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.88 +/- 3.38   0.870% *  0.0453% (0.14   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  23.80 +/- 2.60   0.155% *  0.2545% (0.81   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   55  24.77 +/- 3.10   0.266% *  0.1039% (0.33   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  29.59 +/- 5.36   0.345% *  0.0753% (0.24   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.29 +/- 2.27   0.203% *  0.1101% (0.35   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.93 +/- 2.17   0.456% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  28.70 +/- 3.85   0.118% *  0.0537% (0.17   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  35.91 +/- 6.57   0.074% *  0.0810% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.55, support = 6.13, residual support = 42.7:
          HG2   GLN   30 - HN    LEU   31   4.82 +/- 0.36  52.812% * 68.3447% (0.49   7.53  51.52) =  72.852%  kept
          HB3   ASN   28 - HN    LEU   31   5.19 +/- 0.18  42.871% * 31.3685% (0.71   2.38  19.19) =  27.143%  kept
          HB3   ASN   28 - HN    PHE   55  28.54 +/- 3.96   0.584% *  0.1287% (0.35   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HN    LEU   31  18.40 +/- 3.77   1.322% *  0.0467% (0.13   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    PHE   55  17.01 +/- 2.72   1.930% *  0.0228% (0.06   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    PHE   55  25.46 +/- 3.10   0.480% *  0.0886% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.63, residual support = 51.3:
      O   HA    GLN   30 - HN    LEU   31   3.59 +/- 0.04  55.270% * 98.0709% (0.64  10.0   6.65  51.52) =  99.645%  kept
          HB2   CYS   53 - HN    PHE   55   5.05 +/- 0.21  20.176% *  0.8666% (0.13   1.0   0.90   0.02) =   0.321%  kept
          HD3   PRO   52 - HN    PHE   55   6.50 +/- 0.45   9.842% *  0.0532% (0.35   1.0   0.02   0.35) =   0.010%
          QB    SER   13 - HN    LEU   31  14.54 +/- 3.59   3.916% *  0.1091% (0.71   1.0   0.02   0.02) =   0.008%
          HB    THR   39 - HN    LEU   31  10.33 +/- 1.82   3.161% *  0.1037% (0.68   1.0   0.02   0.02) =   0.006%
          HB3   SER   37 - HN    LEU   31  10.69 +/- 1.28   2.667% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    LEU   31  20.80 +/- 7.96   0.908% *  0.1399% (0.91   1.0   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    PHE   55  17.00 +/- 2.76   0.842% *  0.0394% (0.26   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    LEU   31  20.37 +/- 3.43   0.392% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   31  27.20 +/- 3.32   0.203% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.11 +/- 4.34   0.293% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.89 +/- 1.43   1.055% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  20.79 +/- 2.84   0.350% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.44 +/- 3.69   0.198% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.95 +/- 4.23   0.174% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.69 +/- 3.29   0.186% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  23.55 +/- 2.35   0.221% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.92 +/- 3.90   0.147% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 6.57, residual support = 169.4:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.08  85.642% * 99.0002% (0.61  10.0   6.57 169.42) =  99.994%  kept
          HA    LEU  115 - HN    ARG+  54  13.22 +/- 1.94   0.989% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    ARG+  54 - HN    ASP-  62  10.19 +/- 2.36   7.169% *  0.0185% (0.11   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    ARG+  54  15.88 +/- 2.08   0.528% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.80 +/- 1.13   1.693% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    ARG+  54  25.89 +/- 3.54   0.208% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  23.92 +/- 4.25   0.381% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.14 +/- 3.47   0.147% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.76 +/- 1.09   0.602% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.11 +/- 2.87   0.084% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.21 +/- 2.79   0.372% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  18.55 +/- 2.37   0.347% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  19.66 +/- 2.35   0.328% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.00 +/- 1.31   0.393% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  26.91 +/- 2.89   0.111% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.39 +/- 3.13   0.212% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  19.00 +/- 2.75   0.515% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.51 +/- 2.68   0.279% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 4.11, residual support = 86.0:
      O   HB2   TRP   49 - HN    TRP   49   3.58 +/- 0.15  95.051% * 99.6106% (0.98  10.0   4.11  85.99) =  99.995%  kept
          HA    ALA   84 - HN    TRP   49  13.85 +/- 2.53   2.507% *  0.1007% (0.99   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    TRP   49  17.50 +/- 3.41   1.233% *  0.0911% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    TRP   49  19.92 +/- 2.25   0.675% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  21.33 +/- 2.40   0.534% *  0.1014% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.66 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 = 0.997, support = 2.53, residual support = 16.0:
          QB    ALA   47 - HE1   TRP   49   2.87 +/- 1.01  74.305% * 98.5603% (1.00   2.54  16.04) =  99.831%  kept
          QG1   VAL   42 - HE1   TRP   49  14.26 +/- 2.37  11.454% *  0.7511% (0.97   0.02   0.02) =   0.117%  kept
          HG2   LYS+ 112 - HE1   TRP   49  14.65 +/- 4.00   4.259% *  0.5346% (0.69   0.02   0.02) =   0.031%
          QB    ALA   64 - HE1   TRP   49  14.43 +/- 2.80   9.982% *  0.1540% (0.20   0.02   0.02) =   0.021%
    Distance limit 4.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.73, residual support = 16.0:
          QB    ALA   47 - HN    TRP   49   2.51 +/- 0.27  97.773% * 99.0159% (1.00   3.73  16.04) =  99.993%  kept
          HG2   LYS+ 112 - HN    TRP   49  15.42 +/- 3.73   0.894% *  0.3654% (0.69   0.02   0.02) =   0.003%
          QG1   VAL   42 - HN    TRP   49  14.58 +/- 1.39   0.574% *  0.5134% (0.97   0.02   0.02) =   0.003%
          QB    ALA   64 - HN    TRP   49  14.03 +/- 2.09   0.759% *  0.1053% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.05 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 = 0.883, support = 0.177, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.36 +/- 1.52  57.489% * 72.7267% (0.90   0.19   0.02) =  95.332%  kept
          HD3   PRO   52 - HN    ALA   47   7.71 +/- 1.51  24.883% *  3.6033% (0.41   0.02   0.02) =   2.044%  kept
          HD2   PRO   58 - HN    ALA   47  12.12 +/- 3.14   8.861% *  7.0184% (0.80   0.02   0.02) =   1.418%  kept
          HA    VAL   83 - HN    ALA   47  15.24 +/- 2.54   6.576% *  6.3646% (0.73   0.02   0.02) =   0.954%  kept
          HA    GLU- 100 - HN    ALA   47  25.09 +/- 1.94   0.966% *  6.0207% (0.69   0.02   0.02) =   0.133%  kept
          HA    GLN   30 - HN    ALA   47  22.42 +/- 1.98   1.225% *  4.2663% (0.49   0.02   0.02) =   0.119%  kept
    Distance limit 4.50 A violated in 5 structures by 0.92 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.1, residual support = 39.2:
      O   HB2   ASP-  44 - HN    ASP-  44   2.76 +/- 0.38  81.938% * 97.2772% (0.87  10.0   3.11  39.26) =  99.752%  kept
          HB3   PHE   72 - HN    ASP-  44   6.85 +/- 1.99   8.556% *  2.2679% (0.76   1.0   0.53   0.02) =   0.243%  kept
          QG    GLN   90 - HN    ASP-  44  12.81 +/- 1.44   1.294% *  0.0770% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP-  44  13.22 +/- 2.19   4.951% *  0.0196% (0.18   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  17.05 +/- 2.97   0.746% *  0.0937% (0.84   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  15.97 +/- 2.46   0.557% *  0.1061% (0.95   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  12.35 +/- 2.18   1.443% *  0.0383% (0.34   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ASP-  44  21.95 +/- 3.82   0.279% *  0.1006% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.04 +/- 1.85   0.237% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.774, support = 0.02, residual support = 0.574:
          HB2   LEU   73 - HN    ASP-  44   8.00 +/- 3.04  27.903% * 13.8924% (0.87   0.02   1.48) =  37.851%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.19 +/- 2.04  11.855% * 15.6984% (0.98   0.02   0.02) =  18.173%  kept
          QG1   ILE   56 - HN    ASP-  44  11.23 +/- 1.78  11.697% *  9.7139% (0.61   0.02   0.02) =  11.095%  kept
          HB3   MET   92 - HN    ASP-  44  11.89 +/- 1.75   9.722% * 11.6297% (0.73   0.02   0.02) =  11.040%  kept
          QD    LYS+  99 - HN    ASP-  44  14.24 +/- 1.07   4.480% * 15.8738% (0.99   0.02   0.02) =   6.944%  kept
          HG3   PRO   93 - HN    ASP-  44  11.67 +/- 1.45   8.756% *  4.9432% (0.31   0.02   0.02) =   4.226%  kept
          HB3   LYS+  99 - HN    ASP-  44  14.16 +/- 1.55   4.525% *  7.7956% (0.49   0.02   0.02) =   3.444%  kept
          HB    ILE   89 - HN    ASP-  44  10.23 +/- 1.53  13.342% *  2.4711% (0.15   0.02   0.02) =   3.219%  kept
          HD2   LYS+ 111 - HN    ASP-  44  19.27 +/- 1.91   1.944% *  9.7139% (0.61   0.02   0.02) =   1.844%  kept
          HB2   LEU  123 - HN    ASP-  44  18.65 +/- 2.55   2.240% *  5.4630% (0.34   0.02   0.02) =   1.195%  kept
          QD    LYS+ 102 - HN    ASP-  44  16.10 +/- 1.90   3.534% *  2.8048% (0.18   0.02   0.02) =   0.968%  kept
    Distance limit 4.63 A violated in 15 structures by 1.94 A, eliminated.
    Peak unassigned.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.63, support = 0.787, residual support = 3.43:
          HB2   LYS+  74 - HN    ASP-  44   7.78 +/- 3.62  26.157% * 43.7230% (0.65   0.92   4.30) =  60.393%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.84 +/- 3.78  18.598% * 19.5843% (0.28   0.96   4.30) =  19.234%  kept
          HG2   LYS+  65 - HN    ASP-  44  10.10 +/- 3.32  18.330% * 11.3860% (0.95   0.16   0.02) =  11.021%  kept
          QD    LYS+  66 - HN    ASP-  44  12.51 +/- 2.14   7.119% * 20.9086% (0.90   0.32   0.02) =   7.860%  kept
          QG2   THR   26 - HN    ASP-  44  11.64 +/- 2.76   8.233% *  1.3114% (0.90   0.02   0.02) =   0.570%  kept
          HD2   LYS+ 121 - HN    ASP-  44  14.31 +/- 3.27   5.996% *  1.4333% (0.98   0.02   0.02) =   0.454%  kept
          HG    LEU  104 - HN    ASP-  44  13.49 +/- 1.70   8.251% *  0.6011% (0.41   0.02   0.02) =   0.262%  kept
          HB3   LYS+ 121 - HN    ASP-  44  15.61 +/- 3.03   4.129% *  0.6011% (0.41   0.02   0.02) =   0.131%  kept
          HB3   LYS+ 111 - HN    ASP-  44  17.35 +/- 1.97   3.187% *  0.4513% (0.31   0.02   0.02) =   0.076%
    Distance limit 4.78 A violated in 11 structures by 1.60 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.86, residual support = 39.2:
      O   HB3   ASP-  44 - HN    ASP-  44   3.40 +/- 0.46  69.012% * 97.3412% (0.99  10.0   3.86  39.26) =  99.852%  kept
          HB3   PRO   93 - HN    ASP-  44   9.61 +/- 1.41   4.090% *  1.9444% (0.84   1.0   0.47   0.02) =   0.118%  kept
          HB2   LEU   63 - HN    ASP-  44   8.81 +/- 2.31   8.426% *  0.0929% (0.95   1.0   0.02   0.02) =   0.012%
          HG    LEU   98 - HN    ASP-  44   9.86 +/- 2.18   4.621% *  0.0929% (0.95   1.0   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    ASP-  44  10.48 +/- 1.75   2.951% *  0.0852% (0.87   1.0   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    ASP-  44  12.52 +/- 3.70   2.531% *  0.0852% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ASP-  44  13.78 +/- 2.18   1.418% *  0.0713% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ASP-  44  11.46 +/- 2.01   2.716% *  0.0273% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  18.51 +/- 2.71   0.542% *  0.0973% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  18.65 +/- 2.12   0.531% *  0.0635% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  15.45 +/- 1.37   0.888% *  0.0369% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  15.74 +/- 2.57   1.134% *  0.0194% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.26 +/- 1.35   0.545% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.84 +/- 1.62   0.594% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.79, residual support = 16.4:
          QG1   VAL   43 - HN    ASP-  44   3.98 +/- 0.57  53.153% * 91.3197% (0.90   4.86  16.61) =  98.473%  kept
          QG1   VAL   41 - HN    ASP-  44   8.48 +/- 0.72   6.395% *  5.8350% (0.73   0.38   0.02) =   0.757%  kept
          QG2   THR   46 - HN    ASP-  44   6.33 +/- 1.02  17.127% *  1.7697% (0.99   0.09   0.10) =   0.615%  kept
          QG2   VAL   18 - HN    ASP-  44   8.25 +/- 3.27  12.009% *  0.4182% (1.00   0.02   0.02) =   0.102%  kept
          QD1   ILE   19 - HN    ASP-  44  10.62 +/- 2.58   4.923% *  0.3203% (0.76   0.02   0.02) =   0.032%
          QD2   LEU  104 - HN    ASP-  44  11.59 +/- 1.39   2.938% *  0.2542% (0.61   0.02   0.02) =   0.015%
          HG    LEU   31 - HN    ASP-  44  11.56 +/- 2.13   3.456% *  0.0829% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.638, support = 3.84, residual support = 16.2:
          QG2   VAL   43 - HN    ASP-  44   3.45 +/- 0.53  68.379% * 84.6331% (0.65   3.93  16.61) =  97.273%  kept
          QD1   ILE   89 - HN    ASP-  44   6.81 +/- 1.18  14.813% *  4.9526% (0.14   1.10   0.02) =   1.233%  kept
          QG2   VAL   83 - HN    ASP-  44   9.20 +/- 2.24   9.907% *  5.6485% (0.31   0.55   0.02) =   0.941%  kept
          QD2   LEU   31 - HN    ASP-  44   9.49 +/- 2.30   6.901% *  4.7658% (0.76   0.19   0.02) =   0.553%  kept
    Distance limit 3.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.515, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   7.97 +/- 0.55  74.511% * 36.5033% (0.53   0.02   0.02) =  78.419%  kept
          HA    ASP-  78 - HN    VAL   43  16.00 +/- 1.27   9.807% * 42.0822% (0.61   0.02   0.02) =  11.898%  kept
          HA    THR   23 - HN    VAL   43  15.77 +/- 3.42  15.683% * 21.4145% (0.31   0.02   0.02) =   9.683%  kept
    Distance limit 4.67 A violated in 19 structures by 3.21 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 = 16.0:
          HA    MET   96 - HN    VAL   43   5.43 +/- 1.67 100.000% *100.0000% (0.53   1.50  16.01) = 100.000%  kept
    Distance limit 4.67 A violated in 2 structures by 0.81 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 2.94, residual support = 15.9:
          HB2   MET   96 - HN    VAL   43   3.61 +/- 1.72  62.853% * 94.0468% (0.97   2.96  16.01) =  99.511%  kept
          HB3   ASP-  76 - HN    VAL   43  12.56 +/- 1.83   4.375% *  3.7766% (0.49   0.24   0.02) =   0.278%  kept
          HB    VAL   70 - HN    VAL   43   9.14 +/- 1.43  11.467% *  0.5911% (0.90   0.02   0.02) =   0.114%  kept
          HB2   ASP- 105 - HN    VAL   43   9.36 +/- 2.15  15.292% *  0.1833% (0.28   0.02   0.02) =   0.047%
          QG    GLN   17 - HN    VAL   43  13.84 +/- 2.90   2.898% *  0.5505% (0.84   0.02   0.02) =   0.027%
          HB2   GLU-  25 - HN    VAL   43  18.20 +/- 3.21   1.680% *  0.4786% (0.73   0.02   0.02) =   0.014%
          HG2   GLU- 100 - HN    VAL   43  14.03 +/- 2.44   1.435% *  0.3731% (0.57   0.02   0.02) =   0.009%
    Distance limit 4.71 A violated in 2 structures by 0.26 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 60.8:
      O   HB    VAL   43 - HN    VAL   43   2.86 +/- 0.51  92.462% * 99.7821% (0.87  10.0   4.21  60.80) =  99.996%  kept
          HB2   LYS+  99 - HN    VAL   43  10.28 +/- 2.06   2.835% *  0.0879% (0.76   1.0   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    VAL   43  10.73 +/- 1.84   3.021% *  0.0201% (0.18   1.0   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    VAL   43  17.36 +/- 2.29   0.658% *  0.0921% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   43  15.58 +/- 2.72   1.024% *  0.0177% (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 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.797, support = 5.23, residual support = 35.9:
          HB    VAL   42 - HN    VAL   43   4.39 +/- 0.21  25.948% * 76.7239% (0.84   5.66  38.87) =  90.461%  kept
          HB3   ASP-  44 - HN    VAL   43   6.49 +/- 0.51   8.458% *  9.8394% (0.25   2.43  16.61) =   3.782%  kept
          HG    LEU   98 - HN    VAL   43   6.32 +/- 3.17  19.606% *  2.8301% (0.49   0.36   0.02) =   2.521%  kept
          HB3   LEU   73 - HN    VAL   43   8.71 +/- 3.10   9.442% *  4.4927% (0.90   0.31   4.69) =   1.927%  kept
          QB    LEU   98 - HN    VAL   43   6.07 +/- 1.98  13.640% *  1.2105% (0.18   0.43   0.02) =   0.750%  kept
          HB2   LEU   63 - HN    VAL   43  10.31 +/- 2.63   3.797% *  1.1142% (0.18   0.39   0.02) =   0.192%  kept
          QB    ALA   84 - HN    VAL   43  11.49 +/- 2.18   1.864% *  1.8783% (0.61   0.19   0.02) =   0.159%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.38 +/- 2.69   6.360% *  0.3241% (1.00   0.02   0.02) =   0.094%
          HB3   PRO   93 - HN    VAL   43  11.31 +/- 2.01   5.912% *  0.2101% (0.65   0.02   0.02) =   0.056%
          HG3   LYS+  65 - HN    VAL   43  12.85 +/- 2.22   1.475% *  0.2713% (0.84   0.02   0.02) =   0.018%
          HB2   LYS+ 112 - HN    VAL   43  16.37 +/- 2.53   0.889% *  0.3135% (0.97   0.02   0.02) =   0.013%
          HG3   LYS+ 102 - HN    VAL   43  14.29 +/- 2.29   0.833% *  0.2998% (0.92   0.02   0.02) =   0.011%
          HG3   LYS+  33 - HN    VAL   43  14.36 +/- 2.19   0.889% *  0.2482% (0.76   0.02   0.02) =   0.010%
          QB    ALA  124 - HN    VAL   43  17.67 +/- 3.30   0.554% *  0.1219% (0.38   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    VAL   43  19.42 +/- 2.62   0.333% *  0.1219% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.68 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 = 0.89, support = 5.19, residual support = 58.5:
          QG1   VAL   43 - HN    VAL   43   2.46 +/- 0.71  79.534% * 69.0031% (0.90   5.29  60.80) =  96.077%  kept
          QG1   VAL   41 - HN    VAL   43   6.38 +/- 0.63   7.388% * 29.9620% (0.73   2.84   1.16) =   3.875%  kept
          QG2   VAL   18 - HN    VAL   43   9.90 +/- 2.40   2.752% *  0.2903% (1.00   0.02   0.02) =   0.014%
          QG2   THR   46 - HN    VAL   43   9.51 +/- 1.07   2.518% *  0.2883% (0.99   0.02   0.02) =   0.013%
          QD2   LEU  104 - HN    VAL   43   8.55 +/- 1.87   3.563% *  0.1764% (0.61   0.02   0.02) =   0.011%
          QD1   ILE   19 - HN    VAL   43  11.07 +/- 2.76   2.026% *  0.2223% (0.76   0.02   0.02) =   0.008%
          HG    LEU   31 - HN    VAL   43  10.27 +/- 2.43   2.219% *  0.0576% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 1.96, residual support = 1.27:
          QG2   VAL   41 - HN    VAL   43   5.45 +/- 0.74  17.903% * 83.6945% (0.73   2.21   1.16) =  87.492%  kept
          QD1   LEU   73 - HN    VAL   43   7.68 +/- 2.50  13.437% *  6.8450% (0.45   0.29   4.69) =   5.370%  kept
          QD1   LEU   63 - HN    VAL   43   8.28 +/- 3.26  12.772% *  6.9963% (0.45   0.30   0.02) =   5.217%  kept
          QD2   LEU   98 - HN    VAL   43   5.02 +/- 2.64  29.274% *  0.5489% (0.53   0.02   0.02) =   0.938%  kept
          QD2   LEU   63 - HN    VAL   43   8.00 +/- 2.92  13.064% *  1.0227% (0.98   0.02   0.02) =   0.780%  kept
          QD1   LEU   80 - HN    VAL   43  13.30 +/- 4.18   2.934% *  0.5489% (0.53   0.02   0.02) =   0.094%
          QD2   LEU  115 - HN    VAL   43  10.78 +/- 1.61   6.650% *  0.1827% (0.18   0.02   0.02) =   0.071%
          QD2   LEU   80 - HN    VAL   43  13.01 +/- 3.90   3.967% *  0.1610% (0.15   0.02   0.02) =   0.037%
    Distance limit 4.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.963, support = 5.06, residual support = 38.7:
          QG1   VAL   42 - HN    VAL   43   2.85 +/- 0.53  86.396% * 97.0463% (0.97   5.08  38.87) =  99.680%  kept
          QB    ALA   64 - HN    VAL   43   7.01 +/- 1.27  11.441% *  2.2865% (0.20   0.58   0.02) =   0.311%  kept
          QB    ALA   47 - HN    VAL   43  12.79 +/- 1.00   1.279% *  0.3952% (1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    VAL   43  16.12 +/- 3.07   0.883% *  0.2720% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.93 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 = 0.872, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   6.95 +/- 1.54  45.222% * 34.1913% (0.90   0.02   0.02) =  47.180%  kept
          QD2   LEU   31 - HN    VAL   43   8.54 +/- 2.68  34.226% * 27.6841% (0.73   0.02   0.02) =  28.912%  kept
          QG2   VAL   83 - HN    VAL   43   9.96 +/- 2.71  20.551% * 38.1246% (1.00   0.02   0.02) =  23.908%  kept
    Distance limit 4.14 A violated in 13 structures by 1.77 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.934, support = 5.78, residual support = 27.2:
          HB    VAL   41 - HN    VAL   42   3.56 +/- 0.66  51.452% * 89.6129% (0.97   5.92  28.31) =  95.872%  kept
          HB2   LEU   71 - HN    VAL   42   6.97 +/- 3.00  22.602% *  8.6506% (0.22   2.48   1.16) =   4.065%  kept
          HG12  ILE  103 - HN    VAL   42   9.75 +/- 2.22   3.155% *  0.3137% (1.00   0.02   0.02) =   0.021%
          QB    LYS+  66 - HN    VAL   42  11.41 +/- 1.35   1.810% *  0.2620% (0.84   0.02   0.02) =   0.010%
          HB3   ASP- 105 - HN    VAL   42  11.09 +/- 2.79   9.614% *  0.0484% (0.15   0.02   0.02) =   0.010%
          QB    LYS+  65 - HN    VAL   42  10.66 +/- 1.45   2.438% *  0.0782% (0.25   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    VAL   42  12.46 +/- 2.26   1.456% *  0.1070% (0.34   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    VAL   42  20.70 +/- 4.17   2.416% *  0.0549% (0.18   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    VAL   42  18.33 +/- 3.17   0.461% *  0.2813% (0.90   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    VAL   42  12.46 +/- 2.02   1.801% *  0.0698% (0.22   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    VAL   42  12.06 +/- 2.16   1.804% *  0.0621% (0.20   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    VAL   42  20.97 +/- 2.03   0.397% *  0.2813% (0.90   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    VAL   42  16.17 +/- 1.63   0.595% *  0.1776% (0.57   0.02   0.02) =   0.002%
    Distance limit 4.41 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 = 0.978, support = 6.12, residual support = 89.1:
      O   HB    VAL   42 - HN    VAL   42   2.75 +/- 0.27  62.300% * 94.7901% (0.98  10.0   6.16  89.71) =  99.334%  kept
          QB    LEU   98 - HN    VAL   42   6.63 +/- 2.31   7.443% *  3.4564% (0.57   1.0   1.26   0.42) =   0.433%  kept
          HB3   LEU   73 - HN    VAL   42   7.65 +/- 2.78  11.990% *  1.1070% (0.95   1.0   0.24   0.51) =   0.223%  kept
          HG    LEU   98 - HN    VAL   42   7.49 +/- 3.23   8.909% *  0.0131% (0.14   1.0   0.02   0.42) =   0.002%
          HG3   LYS+  33 - HN    VAL   42  11.14 +/- 2.08   1.195% *  0.0965% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  11.44 +/- 2.58   1.298% *  0.0739% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   42  12.09 +/- 1.74   0.851% *  0.0948% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    VAL   42  10.03 +/- 2.59   1.899% *  0.0298% (0.31   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  15.09 +/- 2.64   0.444% *  0.0893% (0.92   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  13.59 +/- 4.90   1.172% *  0.0269% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  16.53 +/- 2.64   0.384% *  0.0808% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   42  18.81 +/- 2.72   0.271% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.20 +/- 1.72   0.637% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  14.08 +/- 2.13   0.596% *  0.0191% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  16.13 +/- 4.10   0.612% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.979, support = 0.966, residual support = 1.41:
          QD1   LEU   40 - HN    VAL   42   4.63 +/- 1.05  71.080% * 97.3701% (0.98   0.97   1.42) =  99.349%  kept
          QD2   LEU   67 - HN    VAL   42   8.30 +/- 1.78  25.893% *  1.6356% (0.80   0.02   0.02) =   0.608%  kept
          QG1   VAL  108 - HN    VAL   42  14.87 +/- 1.74   3.027% *  0.9943% (0.49   0.02   0.02) =   0.043%
    Distance limit 4.63 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 5.24, residual support = 33.0:
          QG1   VAL   41 - HN    VAL   42   4.16 +/- 0.35  38.158% * 45.2065% (0.73   5.33  28.31) =  55.277%  kept
          QG1   VAL   43 - HN    VAL   42   4.95 +/- 0.84  25.756% * 53.9629% (0.90   5.15  38.87) =  44.539%  kept
          QD1   ILE   19 - HN    VAL   42   8.43 +/- 2.86  12.938% *  0.1784% (0.76   0.02   0.02) =   0.074%
          QG2   VAL   18 - HN    VAL   42   8.21 +/- 2.23   7.632% *  0.2329% (1.00   0.02   0.02) =   0.057%
          QD2   LEU  104 - HN    VAL   42   8.69 +/- 2.29   5.671% *  0.1416% (0.61   0.02   0.02) =   0.026%
          QG2   THR   46 - HN    VAL   42  10.92 +/- 0.92   2.260% *  0.2314% (0.99   0.02   0.02) =   0.017%
          HG    LEU   31 - HN    VAL   42   8.56 +/- 1.98   7.586% *  0.0462% (0.20   0.02   0.02) =   0.011%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.723, support = 5.61, residual support = 27.2:
          QG2   VAL   41 - HN    VAL   42   3.47 +/- 0.40  46.377% * 87.4510% (0.73   5.84  28.31) =  95.922%  kept
          QD2   LEU   98 - HN    VAL   42   5.92 +/- 2.70  21.973% *  4.3333% (0.53   0.40   0.42) =   2.252%  kept
          QD2   LEU   63 - HN    VAL   42   7.55 +/- 2.39   9.265% *  5.4390% (0.98   0.27   0.02) =   1.192%  kept
          QD1   LEU   73 - HN    VAL   42   6.92 +/- 2.27  11.207% *  2.2387% (0.45   0.24   0.51) =   0.593%  kept
          QD1   LEU   63 - HN    VAL   42   8.29 +/- 2.45   6.162% *  0.1850% (0.45   0.02   0.02) =   0.027%
          QD1   LEU   80 - HN    VAL   42  14.82 +/- 4.68   1.684% *  0.2171% (0.53   0.02   0.02) =   0.009%
          QD2   LEU   80 - HN    VAL   42  14.37 +/- 4.33   1.971% *  0.0637% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    VAL   42  12.56 +/- 1.63   1.359% *  0.0723% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 89.7:
          QG1   VAL   42 - HN    VAL   42   3.46 +/- 0.39  97.546% * 99.2594% (0.87   5.44  89.71) =  99.991%  kept
          QB    ALA   47 - HN    VAL   42  14.83 +/- 1.02   1.448% *  0.3212% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    VAL   42  18.47 +/- 3.50   1.006% *  0.4194% (1.00   0.02   0.02) =   0.004%
    Distance limit 4.49 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 = 0.587, support = 5.12, residual support = 85.0:
          QG2   VAL   42 - HN    VAL   42   3.41 +/- 0.42  51.962% * 87.4364% (0.61   5.34  89.71) =  94.769%  kept
          QG2   VAL   70 - HN    VAL   42   4.19 +/- 1.41  38.068% *  4.4666% (0.14   1.22   0.53) =   3.547%  kept
          QG2   VAL   75 - HN    VAL   42   6.61 +/- 1.55   9.970% *  8.0969% (0.45   0.67   0.02) =   1.684%  kept
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 4.62, residual support = 74.9:
      O   HB    VAL   41 - HN    VAL   41   3.37 +/- 0.33  61.233% * 95.4502% (0.90  10.0   4.67  76.02) =  98.514%  kept
          HB2   LEU   71 - HN    VAL   41   6.83 +/- 2.70  21.807% *  3.9921% (0.61   1.0   1.24   2.81) =   1.467%  kept
          HG12  ILE  103 - HN    VAL   41   9.15 +/- 3.36   5.301% *  0.0813% (0.76   1.0   0.02   0.02) =   0.007%
          QB    LYS+ 102 - HN    VAL   41  10.44 +/- 3.63   3.571% *  0.0813% (0.76   1.0   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    VAL   41  13.37 +/- 1.88   1.420% *  0.1055% (0.99   1.0   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    VAL   41  13.36 +/- 1.23   1.234% *  0.0689% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   41  13.62 +/- 2.80   4.167% *  0.0164% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  19.09 +/- 1.70   0.462% *  0.1007% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  18.78 +/- 4.00   0.593% *  0.0518% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    VAL   41  23.92 +/- 2.49   0.212% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.227, support = 4.02, residual support = 18.9:
          HG    LEU   40 - HN    VAL   41   3.56 +/- 0.74  62.148% * 55.5726% (0.18   4.37  20.66) =  91.336%  kept
          HG12  ILE   19 - HN    VAL   41  10.84 +/- 3.52   8.839% * 21.1090% (0.90   0.32   0.02) =   4.935%  kept
          HG    LEU   73 - HN    VAL   41   9.62 +/- 2.55   8.646% * 13.9496% (0.61   0.32   0.02) =   3.190%  kept
          QB    ALA   61 - HN    VAL   41  12.25 +/- 2.81   4.325% *  1.4484% (1.00   0.02   0.02) =   0.166%  kept
          HB3   LEU   67 - HN    VAL   41  11.03 +/- 2.18   3.887% *  1.3732% (0.95   0.02   0.02) =   0.141%  kept
          HG2   LYS+ 102 - HN    VAL   41  12.38 +/- 4.05   2.439% *  0.7066% (0.49   0.02   0.02) =   0.046%
          HD3   LYS+ 121 - HN    VAL   41  13.39 +/- 5.67   3.328% *  0.4952% (0.34   0.02   0.02) =   0.044%
          QG    LYS+  66 - HN    VAL   41  14.18 +/- 1.45   1.400% *  1.1624% (0.80   0.02   0.02) =   0.043%
          HG    LEU   80 - HN    VAL   41  19.77 +/- 5.63   1.039% *  1.4009% (0.97   0.02   0.02) =   0.038%
          HB3   LYS+  74 - HN    VAL   41  13.50 +/- 1.69   1.834% *  0.4480% (0.31   0.02   0.02) =   0.022%
          QB    ALA  110 - HN    VAL   41  18.97 +/- 2.43   0.540% *  1.3732% (0.95   0.02   0.02) =   0.020%
          HB2   LEU   80 - HN    VAL   41  19.14 +/- 4.37   0.865% *  0.7066% (0.49   0.02   0.02) =   0.016%
          HB3   LEU  115 - HN    VAL   41  17.26 +/- 2.07   0.710% *  0.2542% (0.18   0.02   0.02) =   0.005%
    Distance limit 3.75 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 1.53, residual support = 6.71:
          QB    ALA   34 - HN    VAL   41   5.09 +/- 1.29  43.656% * 73.8641% (0.90   1.57   8.48) =  78.320%  kept
          QG2   THR   39 - HN    VAL   41   5.19 +/- 0.95  41.809% * 20.7283% (0.28   1.42   0.31) =  21.049%  kept
          HG3   LYS+  38 - HN    VAL   41   9.97 +/- 0.91   6.885% *  3.0750% (0.53   0.11   0.02) =   0.514%  kept
          QG2   ILE   56 - HN    VAL   41  16.71 +/- 2.71   3.107% *  0.7637% (0.73   0.02   0.02) =   0.058%
          QG2   THR   23 - HN    VAL   41  15.66 +/- 2.16   1.601% *  1.0423% (0.99   0.02   0.02) =   0.041%
          QG2   THR   77 - HN    VAL   41  14.59 +/- 0.84   1.862% *  0.2341% (0.22   0.02   0.02) =   0.011%
          QB    ALA   91 - HN    VAL   41  17.70 +/- 1.86   1.079% *  0.2924% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.45 A violated in 1 structures by 0.20 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.918, support = 4.59, residual support = 20.3:
          QD2   LEU   40 - HN    VAL   41   2.68 +/- 0.82  66.363% * 91.8107% (0.92   4.66  20.66) =  98.229%  kept
          QD2   LEU   71 - HN    VAL   41   6.76 +/- 1.55  16.207% *  6.4225% (0.65   0.47   2.81) =   1.678%  kept
          QD1   LEU   67 - HN    VAL   41   8.46 +/- 2.49   6.553% *  0.4034% (0.95   0.02   0.02) =   0.043%
          QG2   ILE  103 - HN    VAL   41   8.83 +/- 2.44   3.682% *  0.4227% (0.99   0.02   0.02) =   0.025%
          QD1   ILE  103 - HN    VAL   41   8.89 +/- 2.16   4.473% *  0.2244% (0.53   0.02   0.02) =   0.016%
          HG3   LYS+  74 - HN    VAL   41  14.80 +/- 1.71   0.533% *  0.4255% (1.00   0.02   0.02) =   0.004%
          HB    VAL   75 - HN    VAL   41  11.82 +/- 1.06   1.232% *  0.1455% (0.34   0.02   0.02) =   0.003%
          QG2   ILE  119 - HN    VAL   41  14.27 +/- 2.65   0.956% *  0.1455% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.53, residual support = 75.7:
          QG1   VAL   41 - HN    VAL   41   2.39 +/- 0.53  72.133% * 92.4614% (1.00   4.55  76.02) =  99.545%  kept
          QG1   VAL   43 - HN    VAL   41   7.18 +/- 0.96   4.303% *  6.2391% (0.95   0.32   1.16) =   0.401%  kept
          QD2   LEU   73 - HN    VAL   41   7.21 +/- 2.20   6.292% *  0.1824% (0.45   0.02   0.02) =   0.017%
          HG    LEU   31 - HN    VAL   41   8.58 +/- 2.05   3.267% *  0.2467% (0.61   0.02   0.02) =   0.012%
          QD2   LEU  104 - HN    VAL   41   6.67 +/- 3.22   8.419% *  0.0805% (0.20   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    VAL   41  10.37 +/- 1.52   1.373% *  0.3108% (0.76   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    VAL   41   9.34 +/- 2.91   3.201% *  0.1255% (0.31   0.02   0.02) =   0.006%
          QG2   THR   46 - HN    VAL   41  14.19 +/- 1.01   0.466% *  0.2631% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  15.87 +/- 3.08   0.545% *  0.0906% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.76 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 = 0.707, support = 4.05, residual support = 70.7:
          QG2   VAL   41 - HN    VAL   41   3.19 +/- 0.78  52.205% * 80.1369% (0.73   4.34  76.02) =  90.270%  kept
          QD2   LEU   98 - HN    VAL   41   5.85 +/- 3.50  23.962% * 18.4750% (0.53   1.38  22.02) =   9.552%  kept
          QD2   LEU   63 - HN    VAL   41   9.39 +/- 2.64  11.143% *  0.4979% (0.98   0.02   0.02) =   0.120%  kept
          QD1   LEU   73 - HN    VAL   41   8.87 +/- 2.12   5.565% *  0.2277% (0.45   0.02   0.02) =   0.027%
          QD1   LEU   63 - HN    VAL   41  10.15 +/- 2.60   4.724% *  0.2277% (0.45   0.02   0.02) =   0.023%
          QD1   LEU   80 - HN    VAL   41  17.36 +/- 4.79   0.759% *  0.2673% (0.53   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    VAL   41  14.41 +/- 1.53   1.010% *  0.0890% (0.18   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    VAL   41  16.83 +/- 4.62   0.631% *  0.0784% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.34 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 = 0.176, support = 2.61, residual support = 2.6:
          QG2   VAL   70 - HN    VAL   41   5.05 +/- 1.23  82.434% * 98.3920% (0.18   2.62   2.61) =  99.653%  kept
          QG2   THR  118 - HN    VAL   41  11.12 +/- 2.87  17.566% *  1.6080% (0.38   0.02   0.02) =   0.347%  kept
    Distance limit 4.99 A violated in 1 structures by 0.51 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.729, support = 1.26, residual support = 11.7:
          HB2   SER   37 - HN    LEU   40   6.15 +/- 0.52  34.417% * 50.7931% (0.92   1.17   0.70) =  53.120%  kept
          HA    VAL   70 - HN    LEU   40   5.69 +/- 1.78  44.817% * 23.0581% (0.28   1.77  35.94) =  31.402%  kept
          HA1   GLY   16 - HN    LEU   40   9.95 +/- 2.96  19.665% * 25.8877% (0.98   0.56   0.02) =  15.469%  kept
          HA    GLN  116 - HN    LEU   40  19.68 +/- 2.95   1.102% *  0.2612% (0.28   0.02   0.02) =   0.009%
    Distance limit 4.69 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 4.08, residual support = 23.6:
          HB    THR   39 - HN    LEU   40   4.03 +/- 0.55  66.405% * 83.6555% (0.41   4.20  24.46) =  96.304%  kept
          HB3   SER   37 - HN    LEU   40   7.18 +/- 0.77  16.205% * 12.4887% (0.28   0.93   0.70) =   3.508%  kept
          HA    GLN   30 - HN    LEU   40  11.21 +/- 2.03   6.192% *  0.9158% (0.95   0.02   0.02) =   0.098%
          QB    SER   13 - HN    LEU   40  14.11 +/- 3.65   9.200% *  0.4340% (0.45   0.02   0.02) =   0.069%
          HD3   PRO   52 - HN    LEU   40  27.00 +/- 3.25   0.376% *  0.9489% (0.98   0.02   0.02) =   0.006%
          HB3   SER   82 - HN    LEU   40  25.58 +/- 4.01   0.447% *  0.7398% (0.76   0.02   0.02) =   0.006%
          HB2   CYS   53 - HN    LEU   40  22.87 +/- 2.96   0.591% *  0.5481% (0.57   0.02   0.02) =   0.006%
          HA    ILE   89 - HN    LEU   40  21.07 +/- 1.82   0.585% *  0.2692% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.64 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 = 0.455, support = 0.854, residual support = 5.56:
          QE    LYS+  99 - HN    LEU   40   7.17 +/- 4.99  45.947% * 46.2587% (0.57   0.63   9.41) =  55.504%  kept
          QE    LYS+  38 - HN    LEU   40   6.87 +/- 1.93  36.497% * 45.8781% (0.31   1.15   0.76) =  43.726%  kept
          HB2   PHE   97 - HN    LEU   40  11.80 +/- 3.52   4.473% *  2.4954% (0.97   0.02   1.38) =   0.291%  kept
          HB3   TRP   27 - HN    LEU   40  14.05 +/- 2.58   4.070% *  2.5345% (0.98   0.02   0.02) =   0.269%  kept
          QE    LYS+ 106 - HN    LEU   40  15.57 +/- 3.10   2.424% *  1.4639% (0.57   0.02   0.02) =   0.093%
          HB3   PHE   60 - HN    LEU   40  16.63 +/- 3.10   3.248% *  0.9704% (0.38   0.02   0.02) =   0.082%
          QE    LYS+ 102 - HN    LEU   40  14.40 +/- 4.08   3.341% *  0.3990% (0.15   0.02   0.02) =   0.035%
    Distance limit 4.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 103.9:
      O   HB2   LEU   40 - HN    LEU   40   2.38 +/- 0.36  90.109% * 99.7221% (0.97  10.0   4.93 103.86) =  99.993%  kept
          HB3   GLU-  14 - HN    LEU   40  13.74 +/- 4.17   7.641% *  0.0668% (0.65   1.0   0.02   0.02) =   0.006%
          HB3   MET   96 - HN    LEU   40  14.00 +/- 1.99   0.689% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    LEU   40  12.18 +/- 1.48   0.881% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  25.58 +/- 5.57   0.387% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  20.84 +/- 4.51   0.292% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.649, support = 4.92, residual support = 103.8:
      O   HB3   LEU   40 - HN    LEU   40   2.85 +/- 0.34  67.784% * 68.8271% (0.61  10.0   4.78 103.86) =  86.475%  kept
          HG    LEU   40 - HN    LEU   40   4.31 +/- 0.31  23.825% * 30.6032% (0.92   1.0   5.84 103.86) =  13.515%  kept
          HG    LEU   67 - HN    LEU   40  10.84 +/- 2.19   2.099% *  0.1112% (0.98   1.0   0.02   0.02) =   0.004%
          HG    LEU   73 - HN    LEU   40  11.67 +/- 2.22   1.253% *  0.0509% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   40  16.49 +/- 3.64   0.645% *  0.0948% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   40  14.92 +/- 4.58   0.782% *  0.0642% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40  11.09 +/- 2.06   2.285% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  19.85 +/- 2.65   0.276% *  0.1048% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  19.21 +/- 2.07   0.281% *  0.0948% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  14.20 +/- 1.86   0.771% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.52, support = 3.09, residual support = 14.3:
          QG2   THR   39 - HN    LEU   40   3.13 +/- 0.78  61.101% * 30.1905% (0.28   4.11  24.46) =  57.577%  kept
          QB    ALA   34 - HN    LEU   40   5.07 +/- 1.62  30.533% * 38.7895% (0.90   1.64   0.59) =  36.968%  kept
          HG3   LYS+  38 - HN    LEU   40   7.61 +/- 0.70   5.827% * 29.8483% (0.53   2.15   0.76) =   5.428%  kept
          QG2   ILE   56 - HN    LEU   40  18.18 +/- 2.86   1.058% *  0.3836% (0.73   0.02   0.02) =   0.013%
          QG2   THR   23 - HN    LEU   40  16.92 +/- 2.07   0.649% *  0.5236% (0.99   0.02   0.02) =   0.011%
          QG2   THR   77 - HN    LEU   40  17.09 +/- 1.00   0.519% *  0.1176% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   40  20.46 +/- 1.99   0.313% *  0.1469% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.901, support = 1.25, residual support = 20.2:
          QG1   VAL   70 - HN    LEU   40   6.36 +/- 1.51  34.348% * 58.7449% (0.84   1.57  35.94) =  53.686%  kept
          QD1   LEU   71 - HN    LEU   40   5.40 +/- 2.26  44.636% * 38.6811% (0.98   0.88   1.87) =  45.938%  kept
          HB3   LEU  104 - HN    LEU   40  11.90 +/- 4.99   7.881% *  0.8254% (0.92   0.02   0.02) =   0.173%  kept
          QG1   VAL   18 - HN    LEU   40  10.25 +/- 1.77   6.196% *  0.6493% (0.73   0.02   0.02) =   0.107%  kept
          QD1   LEU  123 - HN    LEU   40  15.21 +/- 3.96   3.190% *  0.8764% (0.98   0.02   0.02) =   0.074%
          HB3   LEU   63 - HN    LEU   40  13.30 +/- 2.77   3.750% *  0.2230% (0.25   0.02   0.02) =   0.022%
    Distance limit 4.21 A violated in 2 structures by 0.46 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.619, support = 4.19, residual support = 82.6:
          QD2   LEU   40 - HN    LEU   40   4.16 +/- 0.26  51.607% * 66.4072% (0.53   4.96 103.86) =  79.113%  kept
          QD2   LEU   71 - HN    LEU   40   5.80 +/- 1.82  28.335% * 31.6899% (0.98   1.27   1.87) =  20.729%  kept
          QD1   LEU   67 - HN    LEU   40   8.87 +/- 2.08  10.509% *  0.2880% (0.57   0.02   0.02) =   0.070%
          QD1   ILE  103 - HN    LEU   40  12.02 +/- 2.34   3.030% *  0.4695% (0.92   0.02   0.02) =   0.033%
          QG2   ILE  103 - HN    LEU   40  11.83 +/- 2.65   3.031% *  0.3494% (0.69   0.02   0.02) =   0.024%
          QG2   ILE  119 - HN    LEU   40  15.20 +/- 3.31   2.597% *  0.3887% (0.76   0.02   0.02) =   0.023%
          HG3   LYS+  74 - HN    LEU   40  16.51 +/- 1.99   0.891% *  0.4073% (0.80   0.02   0.02) =   0.008%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.0, residual support = 35.9:
          QG2   VAL   70 - HN    LEU   40   5.20 +/- 1.22 100.000% *100.0000% (0.57   6.00  35.94) = 100.000%  kept
    Distance limit 4.53 A violated in 3 structures by 0.82 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.458, support = 1.86, residual support = 4.13:
          HA    ALA   34 - HN    THR   39   3.42 +/- 0.89  80.791% * 20.1637% (0.22   1.82   6.43) =  59.212%  kept
          HA    GLU-  36 - HN    THR   39   6.70 +/- 0.28  14.656% * 76.3850% (0.80   1.92   0.78) =  40.692%  kept
          HA    ASN   28 - HN    THR   39  12.73 +/- 0.94   2.307% *  0.3727% (0.38   0.02   0.02) =   0.031%
          HA    ALA  124 - HN    THR   39  21.56 +/- 6.36   0.717% *  0.9584% (0.97   0.02   0.02) =   0.025%
          HA    ARG+  54 - HN    THR   39  26.89 +/- 4.44   0.753% *  0.8907% (0.90   0.02   0.02) =   0.024%
          HA    LYS+  81 - HN    THR   39  26.43 +/- 3.27   0.298% *  0.8907% (0.90   0.02   0.02) =   0.010%
          HA    LEU  115 - HN    THR   39  22.10 +/- 2.28   0.478% *  0.3388% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.825, support = 3.16, residual support = 9.95:
          HA    SER   37 - HN    THR   39   4.24 +/- 0.27  53.574% * 56.0954% (0.90   3.12   4.23) =  71.547%  kept
          HA    LEU   40 - HN    THR   39   5.29 +/- 0.35  28.296% * 42.0409% (0.65   3.25  24.46) =  28.321%  kept
          HA    GLU-  15 - HN    THR   39  10.52 +/- 3.09   6.807% *  0.3344% (0.84   0.02   0.02) =   0.054%
          HA    SER   13 - HN    THR   39  14.14 +/- 4.10   4.311% *  0.3344% (0.84   0.02   0.02) =   0.034%
          HA    GLN   17 - HN    THR   39  12.67 +/- 2.40   3.052% *  0.3590% (0.90   0.02   0.02) =   0.026%
          HA    VAL   42 - HN    THR   39  11.20 +/- 0.58   2.993% *  0.1366% (0.34   0.02   0.02) =   0.010%
          HA    PRO   58 - HN    THR   39  21.82 +/- 2.70   0.596% *  0.3206% (0.80   0.02   0.02) =   0.005%
          HA    THR   46 - HN    THR   39  22.78 +/- 1.19   0.370% *  0.3787% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.65, residual support = 35.5:
      O   HB    THR   39 - HN    THR   39   2.70 +/- 0.46  63.085% * 91.3640% (0.41  10.0   3.70  36.81) =  95.863%  kept
          HB3   SER   37 - HN    THR   39   3.65 +/- 0.42  31.991% *  7.7508% (0.28   1.0   2.51   4.23) =   4.124%  kept
          HA    GLN   30 - HN    THR   39   9.58 +/- 1.63   2.445% *  0.2102% (0.95   1.0   0.02   0.02) =   0.009%
          QB    SER   13 - HN    THR   39  13.02 +/- 3.82   2.117% *  0.0996% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    THR   39  26.88 +/- 4.99   0.088% *  0.1698% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  29.90 +/- 3.11   0.065% *  0.2178% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.78 +/- 2.71   0.099% *  0.1258% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.50 +/- 1.73   0.110% *  0.0618% (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 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 3.9, residual support = 22.9:
          QG2   THR   39 - HN    THR   39   3.06 +/- 0.65  49.211% * 19.8062% (0.49   3.60  36.81) =  37.945%  kept
          QB    ALA   34 - HN    THR   39   3.66 +/- 0.67  35.029% * 24.6979% (1.00   2.19   6.43) =  33.680%  kept
          HG3   LYS+  38 - HN    THR   39   5.28 +/- 0.62  13.264% * 54.9359% (0.76   6.35  23.80) =  28.367%  kept
          HG13  ILE   19 - HN    THR   39  11.38 +/- 3.26   1.848% *  0.0448% (0.20   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    THR   39  16.73 +/- 1.65   0.331% *  0.1963% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  20.77 +/- 2.67   0.173% *  0.2088% (0.92   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    THR   39  22.64 +/- 1.93   0.144% *  0.1101% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 6.62, residual support = 219.9:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  92.009% * 99.7734% (0.80  10.0   6.62 219.92) =  99.994%  kept
          HA    GLU- 100 - HN    LYS+  38  10.13 +/- 6.99   7.625% *  0.0705% (0.57   1.0   0.02   0.02) =   0.006%
          HA    VAL   24 - HN    LYS+  38  17.48 +/- 1.08   0.197% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  25.00 +/- 5.44   0.095% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  26.39 +/- 3.21   0.073% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 5.95, residual support = 219.9:
      O   HB2   LYS+  38 - HN    LYS+  38   3.03 +/- 0.17  94.003% * 99.7624% (1.00  10.0   5.95 219.92) =  99.998%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.60 +/- 0.92   0.906% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.66 +/- 0.82   1.387% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    LYS+  38  13.21 +/- 2.17   1.516% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.82 +/- 2.11   1.667% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.88 +/- 0.74   0.407% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.14 +/- 2.06   0.116% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 219.9:
      O   HB3   LYS+  38 - HN    LYS+  38   3.94 +/- 0.11  74.939% * 99.4497% (0.90  10.0   5.20 219.92) =  99.987%  kept
          HB3   GLN   30 - HN    LYS+  38  11.01 +/- 1.26   3.962% *  0.1099% (0.99   1.0   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LYS+  38   6.64 +/- 0.55  17.128% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          HG3   MET   11 - HN    LYS+  38  19.05 +/- 5.24   1.751% *  0.0247% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LYS+  38  24.77 +/- 2.83   0.389% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  18.81 +/- 2.43   0.769% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  25.88 +/- 3.27   0.334% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.31 +/- 2.54   0.236% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  26.63 +/- 3.67   0.288% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  28.49 +/- 1.59   0.204% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 5.85, residual support = 219.8:
          HG2   LYS+  38 - HN    LYS+  38   3.44 +/- 0.34  85.320% * 98.4021% (0.65   5.85 219.92) =  99.960%  kept
          HG2   LYS+  99 - HN    LYS+  38  10.91 +/- 5.92   8.675% *  0.2736% (0.53   0.02   0.02) =   0.028%
          HB2   LEU   31 - HN    LYS+  38   9.73 +/- 0.80   4.251% *  0.1158% (0.22   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    LYS+  38  20.54 +/- 1.11   0.433% *  0.4919% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    LYS+  38  21.69 +/- 2.56   0.422% *  0.4919% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LYS+  38  17.26 +/- 1.18   0.745% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  31.32 +/- 3.46   0.154% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 29.4:
      O   HB3   SER   37 - HN    SER   37   2.94 +/- 0.56  71.712% * 93.6713% (0.99  10.0   3.80  29.75) =  98.544%  kept
          HB    THR   39 - HN    SER   37   5.47 +/- 0.71  16.522% *  5.9593% (0.99   1.0   1.27   4.23) =   1.444%  kept
          QB    SER   13 - HN    SER   37  12.57 +/- 3.54   7.120% *  0.0926% (0.98   1.0   0.02   0.02) =   0.010%
          HA    GLN   30 - HN    SER   37   8.78 +/- 1.24   4.007% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   37  22.61 +/- 2.94   0.245% *  0.0686% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.56 +/- 1.89   0.145% *  0.0937% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  28.03 +/- 5.95   0.175% *  0.0722% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  31.93 +/- 3.38   0.073% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.71, residual support = 18.9:
          QB    GLU-  36 - HN    SER   37   3.19 +/- 0.40  88.213% * 98.3019% (1.00   3.71  18.89) =  99.972%  kept
          HB3   GLU-  29 - HN    SER   37  11.56 +/- 1.34   2.620% *  0.4592% (0.87   0.02   0.02) =   0.014%
          HG3   GLU- 100 - HN    SER   37  11.63 +/- 6.82   7.229% *  0.0927% (0.18   0.02   0.02) =   0.008%
          HG3   GLU-  29 - HN    SER   37  13.64 +/- 1.43   1.542% *  0.2577% (0.49   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    SER   37  24.09 +/- 3.38   0.272% *  0.5248% (0.99   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    SER   37  29.37 +/- 2.12   0.124% *  0.3637% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.88, residual support = 20.6:
          HG2   LYS+  38 - HN    SER   37   5.00 +/- 0.20  77.103% * 97.5137% (0.38   4.88  20.63) =  99.890%  kept
          HG2   LYS+  99 - HN    SER   37  12.00 +/- 5.81  18.447% *  0.2959% (0.28   0.02   0.02) =   0.073%
          QG2   THR   77 - HN    SER   37  20.51 +/- 1.31   1.158% *  1.0547% (0.99   0.02   0.02) =   0.016%
          QG2   THR   23 - HN    SER   37  16.57 +/- 1.35   2.304% *  0.3630% (0.34   0.02   0.02) =   0.011%
          QB    ALA   88 - HN    SER   37  22.06 +/- 2.37   0.987% *  0.7727% (0.73   0.02   0.02) =   0.010%
    Distance limit 4.66 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.653, support = 5.87, residual support = 50.3:
          HB2   ASN   35 - HN    GLU-  36   3.74 +/- 0.22  68.467% * 91.2264% (0.65   6.05  51.93) =  96.911%  kept
          QE    LYS+  33 - HN    GLU-  36   5.67 +/- 1.10  27.129% *  7.2670% (0.87   0.36   0.02) =   3.059%  kept
          QE    LYS+  65 - HN    GLU-  36  19.63 +/- 3.35   1.874% *  0.4653% (1.00   0.02   0.02) =   0.014%
          HB2   ASN   28 - HN    GLU-  36  12.60 +/- 0.86   1.944% *  0.4411% (0.95   0.02   0.02) =   0.013%
          HB2   ASP-  86 - HN    GLU-  36  24.10 +/- 5.82   0.393% *  0.4411% (0.95   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HN    GLU-  36  27.41 +/- 2.50   0.193% *  0.1591% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 86.3:
          HG2   GLU-  36 - HN    GLU-  36   3.61 +/- 0.49  98.284% * 99.4312% (0.97   4.82  86.35) =  99.996%  kept
          HG3   MET   96 - HN    GLU-  36  18.99 +/- 3.30   0.930% *  0.3424% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  22.69 +/- 2.77   0.491% *  0.1605% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  28.52 +/- 3.66   0.295% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.3:
      O   QB    GLU-  36 - HN    GLU-  36   2.15 +/- 0.18  95.869% * 99.6951% (0.90  10.0   7.31  86.35) =  99.998%  kept
          HG3   GLU- 100 - HN    GLU-  36  12.68 +/- 6.47   2.117% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  36  10.04 +/- 1.16   1.103% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  12.14 +/- 1.28   0.621% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  24.15 +/- 3.79   0.082% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.25 +/- 0.76   0.170% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  29.70 +/- 2.41   0.038% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.646, support = 4.82, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.70 +/- 0.70  78.560% * 97.3053% (0.65   4.82  86.35) =  99.916%  kept
          QG    GLU-  15 - HN    GLU-  36  10.02 +/- 2.06   9.205% *  0.2798% (0.45   0.02   0.02) =   0.034%
          QB    MET   11 - HN    GLU-  36  15.37 +/- 3.71   3.958% *  0.5598% (0.90   0.02   0.02) =   0.029%
          QG    GLU-  14 - HN    GLU-  36  13.42 +/- 2.51   3.157% *  0.1927% (0.31   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    GLU-  36  13.04 +/- 2.58   2.862% *  0.1556% (0.25   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    GLU-  36  19.17 +/- 1.56   0.747% *  0.2129% (0.34   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    GLU-  36  24.36 +/- 3.84   0.415% *  0.3038% (0.49   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    GLU-  36  25.52 +/- 2.64   0.313% *  0.3534% (0.57   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    GLU-  36  29.56 +/- 3.23   0.249% *  0.4038% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  25.93 +/- 2.28   0.311% *  0.1235% (0.20   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    GLU-  36  31.15 +/- 3.17   0.222% *  0.1093% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.465, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  15.02 +/- 2.35  42.257% * 42.5614% (0.57   0.02   0.02) =  63.720%  kept
          HA2   GLY  101 - HD22  ASN   35  13.70 +/- 7.28  51.785% * 14.8773% (0.20   0.02   0.02) =  27.296%  kept
          HD2   PRO   93 - HD22  ASN   35  29.35 +/- 3.43   5.958% * 42.5614% (0.57   0.02   0.02) =   8.984%  kept
    Distance limit 4.96 A violated in 16 structures by 5.74 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.56, residual support = 54.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.82 +/- 0.34  82.469% * 98.0561% (0.76  10.0   3.57  54.57) =  99.765%  kept
          QE    LYS+  33 - HD22  ASN   35   8.57 +/- 1.75  11.890% *  1.5496% (0.76   1.0   0.32   5.76) =   0.227%  kept
          HB2   ASN   28 - HD22  ASN   35  12.16 +/- 2.32   3.559% *  0.1113% (0.87   1.0   0.02   0.02) =   0.005%
          QE    LYS+  65 - HD22  ASN   35  21.83 +/- 3.29   0.932% *  0.1238% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HD22  ASN   35  23.63 +/- 7.47   0.902% *  0.1272% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  28.57 +/- 3.18   0.248% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.728, support = 1.68, residual support = 4.33:
          HA    GLN   32 - HD21  ASN   35   4.12 +/- 1.26  56.368% * 39.5107% (0.76   1.33   3.15) =  54.432%  kept
          HA    LYS+  33 - HD21  ASN   35   5.53 +/- 0.94  33.149% * 56.0588% (0.69   2.10   5.76) =  45.418%  kept
          HA    GLU-  29 - HD21  ASN   35   8.57 +/- 1.30   6.438% *  0.6483% (0.83   0.02   0.02) =   0.102%  kept
          HA    VAL   18 - HD21  ASN   35  15.87 +/- 1.55   1.115% *  0.6732% (0.87   0.02   0.02) =   0.018%
          HA    VAL   70 - HD21  ASN   35  14.72 +/- 2.47   1.616% *  0.2913% (0.38   0.02   0.02) =   0.012%
          HB2   SER   82 - HD21  ASN   35  27.49 +/- 8.05   0.385% *  0.7165% (0.92   0.02   0.02) =   0.007%
          HA    ALA   88 - HD21  ASN   35  26.40 +/- 4.95   0.277% *  0.6215% (0.80   0.02   0.02) =   0.004%
          HA    SER   48 - HD21  ASN   35  29.74 +/- 3.10   0.171% *  0.7490% (0.96   0.02   0.02) =   0.003%
          HD2   PRO   52 - HD21  ASN   35  31.68 +/- 4.53   0.233% *  0.4394% (0.57   0.02   0.02) =   0.002%
          HA    GLN  116 - HD21  ASN   35  27.02 +/- 2.50   0.249% *  0.2913% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.611, support = 3.54, residual support = 53.8:
      O   HB2   ASN   35 - HD21  ASN   35   3.16 +/- 0.49  83.086% * 89.7183% (0.61  10.0   3.57  54.57) =  98.461%  kept
          QE    LYS+  33 - HD21  ASN   35   7.56 +/- 1.76  11.820% *  9.7989% (0.90   1.0   1.48   5.76) =   1.530%  kept
          HB2   ASN   28 - HD21  ASN   35  11.31 +/- 1.85   3.724% *  0.1428% (0.96   1.0   0.02   0.02) =   0.007%
          QE    LYS+  65 - HD21  ASN   35  21.02 +/- 3.34   0.738% *  0.1479% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HD21  ASN   35  23.28 +/- 7.04   0.469% *  0.1365% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  27.80 +/- 2.79   0.163% *  0.0555% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.66, support = 4.27, residual support = 42.1:
      O   HA    GLN   32 - HN    GLN   32   2.74 +/- 0.05  58.459% * 74.0643% (0.65  10.0   4.35  44.41) =  93.425%  kept
          HA    LYS+  33 - HN    GLN   32   5.27 +/- 0.12   8.316% * 21.2857% (0.80   1.0   4.64  14.99) =   3.819%  kept
          HA    GLU-  29 - HN    GLN   32   3.41 +/- 0.21  31.214% *  4.0855% (0.92   1.0   0.77   0.02) =   2.752%  kept
          HA    VAL   18 - HN    GLN   32  12.94 +/- 1.43   0.618% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  13.94 +/- 2.55   0.711% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   32  23.03 +/- 8.66   0.315% *  0.1122% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    GLN   32  23.11 +/- 4.66   0.134% *  0.0786% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  25.58 +/- 2.67   0.079% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  25.12 +/- 2.49   0.085% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.15 +/- 3.03   0.068% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 6.1, residual support = 154.0:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.03  69.043% * 98.3957% (0.87  10.0   6.12 154.54) =  99.636%  kept
          HA    GLU-  29 - HN    LYS+  33   4.61 +/- 0.84  21.547% *  1.1248% (0.73   1.0   0.27   0.02) =   0.355%  kept
          HB2   SER   37 - HN    LYS+  33   8.23 +/- 1.25   3.930% *  0.0552% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  12.87 +/- 3.01   1.880% *  0.1134% (1.00   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LYS+  33  12.12 +/- 1.92   1.128% *  0.0779% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LYS+  33  12.99 +/- 3.28   2.005% *  0.0224% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    LYS+  33  24.45 +/- 7.86   0.250% *  0.0688% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.26 +/- 2.90   0.121% *  0.1134% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  26.27 +/- 2.54   0.097% *  0.0283% (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 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.362, support = 3.9, residual support = 23.5:
      O   HA    ASN   28 - HN    GLU-  29   3.63 +/- 0.02  31.828% * 74.0613% (0.18  10.0   5.05  32.31) =  72.030%  kept
          HA    THR   26 - HN    GLU-  29   3.14 +/- 0.13  49.154% * 15.9981% (0.95   1.0   0.80   0.84) =  24.029%  kept
          HA    GLU-  25 - HN    GLU-  29   4.80 +/- 0.36  14.601% *  8.7826% (0.22   1.0   1.87   0.02) =   3.919%  kept
          HA    ILE   19 - HN    GLU-  29  11.24 +/- 1.66   1.926% *  0.1739% (0.41   1.0   0.02   0.02) =   0.010%
          HA    ALA   34 - HN    GLU-  29  10.54 +/- 0.64   1.364% *  0.1305% (0.31   1.0   0.02   0.02) =   0.005%
          HA1   GLY  101 - HN    GLU-  29  17.01 +/- 5.44   0.752% *  0.2058% (0.49   1.0   0.02   0.02) =   0.005%
          HA    GLU- 114 - HN    GLU-  29  28.32 +/- 3.84   0.114% *  0.2736% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  29  25.71 +/- 2.38   0.101% *  0.2905% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  24.71 +/- 3.09   0.159% *  0.0837% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.92, residual support = 94.8:
      O   HB2   ASN   28 - HD22  ASN   28   3.24 +/- 0.09  88.517% * 99.6000% (0.95  10.0   3.92  94.76) =  99.988%  kept
          HB2   ASP-  86 - HD22  ASN   28  15.27 +/- 7.26   3.941% *  0.0996% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+  33 - HD22  ASN   28  10.13 +/- 1.38   3.602% *  0.0913% (0.87   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD22  ASN   28  16.71 +/- 3.03   1.577% *  0.1051% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HD22  ASN   28  12.78 +/- 1.33   1.640% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  18.53 +/- 3.89   0.723% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 158.6:
      O   HG2   GLN   30 - HE21  GLN   30   3.97 +/- 0.34  91.438% * 96.2005% (0.61  10.0   4.04 159.02) =  99.702%  kept
          HB3   ASN   28 - HE21  GLN   30   9.83 +/- 1.36   6.968% *  3.7717% (0.84   1.0   0.57  18.64) =   0.298%  kept
          QE    LYS+ 121 - HE21  GLN   30  17.51 +/- 3.73   1.594% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.07 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 = 4.17, residual support = 158.7:
      O   HG2   GLN   30 - HE22  GLN   30   3.43 +/- 0.42  93.001% * 96.2005% (0.61  10.0   4.18 159.02) =  99.751%  kept
          HB3   ASN   28 - HE22  GLN   30   9.15 +/- 1.12   5.908% *  3.7717% (0.84   1.0   0.57  18.64) =   0.248%  kept
          QE    LYS+ 121 - HE22  GLN   30  17.25 +/- 3.60   1.092% *  0.0278% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 3.54, residual support = 94.8:
      O   HB3   ASN   28 - HD22  ASN   28   3.30 +/- 0.10  90.249% * 99.7665% (0.90  10.0   3.54  94.76) =  99.988%  kept
          HG2   GLN   30 - HD22  ASN   28   7.45 +/- 0.72   8.760% *  0.1110% (1.00   1.0   0.02  18.64) =   0.011%
          QE    LYS+ 121 - HD22  ASN   28  20.16 +/- 4.05   0.585% *  0.0808% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - HD22  ASN   28  22.70 +/- 3.99   0.406% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 1.28, residual support = 13.9:
          QG2   VAL   24 - HD22  ASN   28   3.24 +/- 0.32  97.279% * 97.3413% (0.97   1.28  13.88) =  99.968%  kept
          HG    LEU   63 - HD22  ASN   28  18.56 +/- 3.47   1.789% *  1.3638% (0.87   0.02   0.02) =   0.026%
          QG1   VAL  107 - HD22  ASN   28  18.17 +/- 2.36   0.645% *  0.5901% (0.38   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HD22  ASN   28  26.11 +/- 3.63   0.287% *  0.7049% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.94 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 = 6.13, residual support = 92.5:
      O   HA    GLU-  29 - HN    GLU-  29   2.76 +/- 0.04  88.773% * 99.3483% (0.84  10.0   6.13  92.49) =  99.992%  kept
          HA    LYS+  33 - HN    GLU-  29   8.95 +/- 0.80   2.792% *  0.1125% (0.95   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    GLU-  29  13.05 +/- 1.44   1.043% *  0.0952% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.41 +/- 0.38   4.689% *  0.0184% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  20.71 +/- 8.78   0.793% *  0.0864% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  16.29 +/- 2.19   0.556% *  0.1166% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.87 +/- 1.52   0.819% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  25.93 +/- 3.34   0.144% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  23.97 +/- 2.84   0.160% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  22.40 +/- 4.66   0.232% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 6.27, residual support = 32.3:
          HB2   ASN   28 - HN    GLU-  29   2.40 +/- 0.22  92.875% * 98.7591% (0.97   6.27  32.31) =  99.978%  kept
          QE    LYS+  33 - HN    GLU-  29   7.61 +/- 1.56   4.949% *  0.2927% (0.90   0.02   0.02) =   0.016%
          QE    LYS+  65 - HN    GLU-  29  17.28 +/- 3.14   0.670% *  0.3264% (1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    GLU-  29  11.68 +/- 0.87   0.935% *  0.1980% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    GLU-  29  18.42 +/- 6.66   0.400% *  0.3013% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  20.49 +/- 3.52   0.170% *  0.1225% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.707, support = 5.53, residual support = 30.7:
          HB3   ASN   28 - HN    GLU-  29   3.50 +/- 0.16  74.358% * 47.0579% (0.65   5.79  32.31) =  72.799%  kept
          HG2   GLN   30 - HN    GLU-  29   5.38 +/- 0.75  24.880% * 52.5419% (0.87   4.82  26.47) =  27.197%  kept
          QE    LYS+ 121 - HN    GLU-  29  21.43 +/- 3.69   0.409% *  0.2376% (0.95   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    GLU-  29  23.75 +/- 4.09   0.353% *  0.1625% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 5.38, residual support = 92.4:
          HG2   GLU-  29 - HN    GLU-  29   3.09 +/- 0.59  85.560% * 97.1718% (0.57   5.39  92.49) =  99.876%  kept
          QG    GLN   32 - HN    GLU-  29   6.73 +/- 0.77  12.227% *  0.7707% (0.28   0.09   0.02) =   0.113%  kept
          HB3   ASP-  86 - HN    GLU-  29  18.83 +/- 6.77   1.224% *  0.2620% (0.41   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    GLU-  29  19.74 +/- 2.43   0.495% *  0.6316% (0.99   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    GLU-  29  22.73 +/- 2.38   0.280% *  0.5323% (0.84   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    GLU-  29  24.84 +/- 3.82   0.214% *  0.6316% (0.99   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.585, support = 5.36, residual support = 14.9:
          HA    ASN   28 - HN    GLN   30   3.89 +/- 0.11  37.816% * 66.3485% (0.45   6.81  18.64) =  72.813%  kept
          HA    THR   26 - HN    GLN   30   4.29 +/- 0.45  29.574% * 31.1618% (0.97   1.49   4.87) =  26.744%  kept
          HA1   GLY  101 - HN    LYS+  99   5.53 +/- 0.64  14.550% *  0.8941% (0.05   0.75   1.39) =   0.378%  kept
          HA    ALA   34 - HN    GLN   30   8.33 +/- 0.76   4.140% *  0.2811% (0.65   0.02   1.45) =   0.034%
          HA1   GLY  101 - HN    GLN   30  15.82 +/- 5.07   1.198% *  0.3629% (0.84   0.02   0.02) =   0.013%
          HA    ILE   19 - HN    GLN   30   9.44 +/- 1.53   5.893% *  0.0670% (0.15   0.02  14.05) =   0.011%
          HA    GLU- 114 - HN    GLN   30  26.70 +/- 3.40   0.175% *  0.4110% (0.95   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    GLN   30  23.05 +/- 2.66   0.248% *  0.2115% (0.49   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+  99  12.31 +/- 4.49   2.193% *  0.0185% (0.04   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  24.29 +/- 2.21   0.177% *  0.1482% (0.34   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  14.73 +/- 4.08   1.714% *  0.0128% (0.03   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  18.84 +/- 3.81   0.543% *  0.0275% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  19.60 +/- 1.74   0.319% *  0.0270% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  17.18 +/- 1.81   0.482% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.61 +/- 3.26   0.767% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.79 +/- 2.36   0.210% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.997, support = 6.45, residual support = 26.4:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.02  63.136% * 98.3554% (1.00  10.0   6.46  26.47) =  99.830%  kept
          HA    GLN   32 - HN    GLN   30   6.67 +/- 0.23   9.217% *  1.0159% (0.38   1.0   0.55   1.80) =   0.151%  kept
          HA    LYS+  33 - HN    GLN   30   7.55 +/- 0.55   6.598% *  0.0966% (0.98   1.0   0.02   0.28) =   0.010%
          HA    VAL   18 - HN    GLN   30  10.96 +/- 1.44   2.463% *  0.0977% (0.99   1.0   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    GLN   30  13.85 +/- 2.16   1.440% *  0.0753% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   30  20.90 +/- 8.09   0.953% *  0.0951% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  11.69 +/- 1.60   2.097% *  0.0152% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLN   30  24.14 +/- 2.94   0.241% *  0.0753% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  23.07 +/- 2.81   0.257% *  0.0638% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  21.91 +/- 4.02   0.330% *  0.0405% (0.41   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  12.74 +/- 4.53   2.298% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  15.79 +/- 4.21   1.087% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.98 +/- 3.96   0.918% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.14 +/- 3.20   0.923% *  0.0064% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  14.58 +/- 4.85   2.325% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  26.11 +/- 2.70   0.186% *  0.0219% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  13.49 +/- 5.10   3.657% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  23.17 +/- 4.82   0.399% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.15 +/- 2.11   0.430% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  18.92 +/- 3.78   0.619% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  24.39 +/- 2.66   0.225% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.31 +/- 2.63   0.200% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 6.4, residual support = 159.0:
      O   HA    GLN   30 - HN    GLN   30   2.82 +/- 0.01  84.658% * 99.5516% (0.92  10.0   6.40 159.02) =  99.996%  kept
          QB    SER   13 - HN    GLN   30  14.19 +/- 3.53   2.155% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLN   30  11.71 +/- 2.23   1.696% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  20.56 +/- 7.85   0.637% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.70 +/- 1.65   1.597% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    LYS+  99  11.59 +/- 4.83   4.472% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  27.41 +/- 3.15   0.135% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  23.79 +/- 2.26   0.156% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  21.08 +/- 3.11   0.241% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  15.25 +/- 3.73   1.112% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  14.35 +/- 4.93   1.580% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  22.69 +/- 4.63   0.348% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  20.91 +/- 4.66   0.509% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  17.67 +/- 2.58   0.405% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.57 +/- 2.79   0.123% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.08 +/- 2.15   0.174% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.983, support = 6.98, residual support = 138.1:
          HG2   GLN   30 - HN    GLN   30   3.28 +/- 0.60  67.755% * 63.4005% (1.00   7.38 159.02) =  85.074%  kept
          HB3   ASN   28 - HN    GLN   30   5.12 +/- 0.11  20.714% * 36.3759% (0.90   4.71  18.64) =  14.923%  kept
          QE    LYS+ 121 - HN    LYS+  99  12.89 +/- 6.43   7.026% *  0.0082% (0.05   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    GLN   30  19.67 +/- 3.46   0.437% *  0.1250% (0.73   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    GLN   30  21.70 +/- 4.10   0.439% *  0.0646% (0.38   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LYS+  99  16.52 +/- 4.19   1.041% *  0.0101% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.87 +/- 3.42   0.866% *  0.0113% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  16.96 +/- 6.74   1.722% *  0.0042% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.9, residual support = 159.0:
      O   HB3   GLN   30 - HN    GLN   30   2.44 +/- 0.43  70.448% * 98.7410% (0.69  10.0   6.90 159.02) =  99.982%  kept
          QB    LYS+  33 - HN    GLN   30   5.63 +/- 0.93   8.559% *  0.1044% (0.73   1.0   0.02   0.28) =   0.013%
          HB3   LYS+  38 - HN    GLN   30  14.38 +/- 0.97   0.489% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   30  19.25 +/- 3.72   0.471% *  0.0872% (0.61   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  18.04 +/- 3.06   0.298% *  0.1289% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  20.06 +/- 5.58   0.297% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.04 +/- 0.43   5.935% *  0.0050% (0.03   1.0   0.02   0.41) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.38 +/- 4.63   3.116% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  18.23 +/- 4.20   0.333% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.85 +/- 2.52   0.131% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.59 +/- 0.92   2.582% *  0.0057% (0.04   1.0   0.02   0.43) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.43 +/- 0.66   1.630% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.53 +/- 2.25   0.195% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  23.70 +/- 3.56   0.117% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  12.50 +/- 5.50   1.272% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  23.06 +/- 3.34   0.204% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  14.22 +/- 3.67   1.513% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  27.21 +/- 3.68   0.100% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.35 +/- 2.31   0.100% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  14.08 +/- 3.50   0.759% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  17.93 +/- 5.04   0.469% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.61 +/- 3.22   0.213% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  20.84 +/- 2.74   0.256% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.35 +/- 3.74   0.155% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.99 +/- 2.01   0.152% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.04 +/- 3.28   0.206% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.807, support = 5.57, residual support = 49.0:
          HG    LEU   31 - HN    GLN   30   4.56 +/- 0.57  34.691% * 88.7432% (0.80   5.86  51.52) =  94.471%  kept
          QD2   LEU   73 - HN    GLN   30   6.51 +/- 2.31  17.021% * 10.4831% (0.92   0.60   5.87) =   5.475%  kept
          QG1   VAL   41 - HN    GLN   30   8.16 +/- 2.57  11.319% *  0.0943% (0.25   0.02   0.02) =   0.033%
          QD1   ILE   56 - HN    GLN   30  20.04 +/- 2.24   0.530% *  0.3774% (1.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LYS+  99   6.47 +/- 3.42  24.556% *  0.0062% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LYS+  99  11.12 +/- 2.77   4.024% *  0.0229% (0.06   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - HN    GLN   30  22.57 +/- 4.72   0.397% *  0.2141% (0.57   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+  99  12.31 +/- 3.79   3.894% *  0.0199% (0.05   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LYS+  99  14.83 +/- 6.84   2.672% *  0.0141% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  17.83 +/- 2.85   0.897% *  0.0248% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.725, support = 2.0, residual support = 4.86:
          QG2   THR   26 - HN    GLN   30   3.88 +/- 0.25  60.905% * 94.2903% (0.73   2.00   4.87) =  99.791%  kept
          HB3   LEU   40 - HN    GLN   30  13.26 +/- 2.66   5.417% *  0.9429% (0.73   0.02   0.02) =   0.089%
          HB2   LYS+  74 - HN    GLN   30  12.23 +/- 1.25   2.320% *  1.2283% (0.95   0.02   0.02) =   0.050%
          HG2   LYS+  65 - HN    GLN   30  16.60 +/- 2.83   1.243% *  0.8400% (0.65   0.02   0.02) =   0.018%
          HB3   LEU   40 - HN    LYS+  99   8.82 +/- 5.19  16.754% *  0.0619% (0.05   0.02   9.41) =   0.018%
          QD    LYS+  66 - HN    GLN   30  18.39 +/- 2.80   1.734% *  0.2891% (0.22   0.02   0.02) =   0.009%
          QB    ALA  120 - HN    GLN   30  21.61 +/- 2.99   0.600% *  0.6320% (0.49   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HN    GLN   30  21.80 +/- 3.71   0.489% *  0.7352% (0.57   0.02   0.02) =   0.006%
          HG    LEU  115 - HN    GLN   30  22.90 +/- 2.41   0.403% *  0.6320% (0.49   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    LYS+  99  14.79 +/- 6.53   3.036% *  0.0483% (0.04   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    LYS+  99  15.41 +/- 2.94   1.975% *  0.0619% (0.05   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HN    LYS+  99  17.71 +/- 1.81   0.824% *  0.0807% (0.06   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  99  16.38 +/- 3.98   1.334% *  0.0415% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+  99  18.64 +/- 3.91   1.755% *  0.0190% (0.01   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  19.76 +/- 2.51   0.566% *  0.0552% (0.04   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  18.08 +/- 1.40   0.643% *  0.0415% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.393, support = 6.4, residual support = 158.9:
      O   HB2   GLN   30 - HN    GLN   30   3.08 +/- 0.59  51.975% * 86.2408% (0.41  10.0   6.39 159.02) =  92.537%  kept
          HG3   GLN   30 - HN    GLN   30   4.02 +/- 0.41  29.594% * 12.0206% (0.18   1.0   6.54 159.02) =   7.344%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.02 +/- 0.73   8.885% *  0.5997% (0.02   1.0   2.55  39.15) =   0.110%  kept
          HB2   GLU-  14 - HN    GLN   30  13.88 +/- 3.23   1.446% *  0.1104% (0.53   1.0   0.02   0.02) =   0.003%
          HG2   MET   11 - HN    GLN   30  18.55 +/- 4.91   0.764% *  0.1188% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    GLN   30  16.29 +/- 4.21   0.922% *  0.0716% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    GLN   30  22.07 +/- 1.57   0.163% *  0.2024% (0.97   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    GLN   30  23.41 +/- 3.64   0.158% *  0.1357% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.07 +/- 3.88   0.098% *  0.1523% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  14.08 +/- 3.75   2.345% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  23.99 +/- 2.80   0.137% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  23.73 +/- 3.06   0.143% *  0.0862% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  27.25 +/- 3.46   0.091% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.47 +/- 0.61   0.458% *  0.0089% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.53 +/- 5.21   0.526% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  18.95 +/- 1.30   0.246% *  0.0133% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.16 +/- 3.26   1.243% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  19.04 +/- 3.81   0.338% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.23 +/- 3.51   0.156% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  27.19 +/- 5.56   0.120% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  26.27 +/- 3.64   0.094% *  0.0100% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.85 +/- 3.11   0.098% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.936, support = 5.68, residual support = 26.5:
          HB3   GLU-  29 - HN    GLN   30   4.00 +/- 0.30  51.324% * 43.2905% (0.90   5.22  26.47) =  52.711%  kept
          HG3   GLU-  29 - HN    GLN   30   4.67 +/- 0.62  35.486% * 56.1488% (0.98   6.20  26.47) =  47.270%  kept
          QB    GLU-  36 - HN    GLN   30   9.77 +/- 0.90   3.690% *  0.1121% (0.61   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    GLN   30  14.14 +/- 0.93   1.175% *  0.1121% (0.61   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    GLN   30  16.64 +/- 4.85   1.319% *  0.0973% (0.53   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  24.27 +/- 3.62   0.272% *  0.1832% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  13.58 +/- 5.44   2.452% *  0.0074% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  14.70 +/- 4.19   1.667% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.30 +/- 3.84   0.836% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.14 +/- 3.69   0.731% *  0.0119% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  21.62 +/- 2.90   0.436% *  0.0120% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  20.50 +/- 3.47   0.611% *  0.0064% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.43, residual support = 92.5:
      O   HB2   GLU-  29 - HN    GLU-  29   2.36 +/- 0.32  97.285% * 99.4303% (0.76  10.0   5.43  92.49) =  99.997%  kept
          HG2   GLU- 100 - HN    GLU-  29  17.17 +/- 4.30   1.097% *  0.1042% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  21.53 +/- 3.70   0.432% *  0.1290% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLU-  29  16.58 +/- 2.84   0.358% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.75 +/- 3.40   0.395% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  26.16 +/- 2.88   0.083% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  23.74 +/- 3.06   0.188% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  21.81 +/- 4.10   0.161% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 5.54, residual support = 92.3:
      O   HB3   GLU-  29 - HN    GLU-  29   3.44 +/- 0.22  36.150% * 66.7665% (0.65  10.0   4.93  92.49) =  58.248%  kept
          HG3   GLU-  29 - HN    GLU-  29   2.96 +/- 0.36  53.963% * 31.9040% (0.97   1.0   6.41  92.49) =  41.548%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.84 +/- 0.36   7.640% *  1.0899% (0.14   1.0   1.56   0.02) =   0.201%  kept
          QB    GLU-  36 - HN    GLU-  29  11.09 +/- 1.13   1.209% *  0.0352% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  29  15.95 +/- 0.85   0.359% *  0.0895% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  17.19 +/- 4.98   0.560% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  25.01 +/- 4.02   0.119% *  0.0862% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.969, support = 3.26, residual support = 159.0:
      O   HG3   GLN   30 - HE21  GLN   30   3.69 +/- 0.29  45.198% * 85.8539% (0.99  10.0   3.17 159.02) =  88.230%  kept
          HB2   GLN   30 - HE21  GLN   30   3.99 +/- 0.56  37.853% * 13.6558% (0.80   1.0   3.94 159.02) =  11.753%  kept
          QB    GLU-  15 - HE21  GLN   30   9.03 +/- 2.69   7.614% *  0.0422% (0.49   1.0   0.02   0.02) =   0.007%
          HB2   GLN   17 - HE21  GLN   30  10.39 +/- 1.93   3.716% *  0.0422% (0.49   1.0   0.02   0.02) =   0.004%
          HB3   PRO   68 - HE21  GLN   30  15.18 +/- 2.43   1.118% *  0.0751% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HE21  GLN   30  16.20 +/- 4.24   0.815% *  0.0751% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HE21  GLN   30  11.89 +/- 1.93   2.029% *  0.0267% (0.31   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HE21  GLN   30  21.00 +/- 3.37   0.714% *  0.0694% (0.80   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HE21  GLN   30  22.15 +/- 3.38   0.240% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.49 +/- 3.85   0.248% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  26.96 +/- 3.03   0.130% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.91 +/- 1.82   0.325% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.347, support = 2.01, residual support = 13.3:
          QD1   ILE   19 - HE21  GLN   30   4.06 +/- 1.17  37.775% * 60.5358% (0.41   2.13  14.05) =  64.149%  kept
          QG2   ILE   19 - HE21  GLN   30   3.67 +/- 0.80  44.660% * 24.5742% (0.18   2.03  14.05) =  30.788%  kept
          QD2   LEU  104 - HE21  GLN   30  13.30 +/- 3.97  13.117% * 13.4387% (0.57   0.34   0.02) =   4.945%  kept
          QD1   LEU   98 - HE21  GLN   30  11.85 +/- 3.29   3.199% *  1.2383% (0.90   0.02   0.02) =   0.111%  kept
          QG2   THR   46 - HE21  GLN   30  13.89 +/- 2.81   1.249% *  0.2130% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.73 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 = 0.333, support = 2.05, residual support = 13.4:
          QD1   ILE   19 - HE22  GLN   30   4.34 +/- 0.91  35.114% * 58.0892% (0.41   2.08  14.05) =  58.381%  kept
          QG2   ILE   19 - HE22  GLN   30   3.71 +/- 0.54  48.236% * 26.5536% (0.18   2.23  14.05) =  36.661%  kept
          QD2   LEU  104 - HE22  GLN   30  12.95 +/- 3.69  12.140% * 13.9301% (0.57   0.36   0.02) =   4.840%  kept
          QD1   LEU   98 - HE22  GLN   30  11.36 +/- 3.22   3.132% *  1.2176% (0.90   0.02   0.02) =   0.109%  kept
          QG2   THR   46 - HE22  GLN   30  13.65 +/- 2.57   1.378% *  0.2095% (0.15   0.02   0.02) =   0.008%
    Distance limit 4.88 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 = 5.93, residual support = 44.4:
      O   HA    LEU   31 - HN    GLN   32   3.58 +/- 0.04  99.328% * 99.9819% (0.97  10.0   5.93  44.39) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  20.50 +/- 3.16   0.672% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 4.37, residual support = 44.4:
          QG    GLN   32 - HN    GLN   32   3.70 +/- 0.44  90.554% * 98.8937% (0.99   4.37  44.41) =  99.983%  kept
          QG    GLU-  79 - HN    GLN   32  17.55 +/- 4.49   1.734% *  0.3659% (0.80   0.02   0.02) =   0.007%
          HB2   GLU- 100 - HN    GLN   32  14.81 +/- 4.73   5.760% *  0.1017% (0.22   0.02   0.02) =   0.007%
          HB    VAL  107 - HN    GLN   32  21.84 +/- 2.27   0.523% *  0.3139% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  20.37 +/- 2.38   0.684% *  0.1271% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  24.65 +/- 3.93   0.464% *  0.1271% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  27.18 +/- 2.90   0.281% *  0.0705% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.41, residual support = 44.4:
      O   QB    GLN   32 - HN    GLN   32   2.11 +/- 0.10  96.764% * 99.6924% (0.90  10.0   4.41  44.41) =  99.997%  kept
          HG3   GLU- 100 - HN    GLN   32  14.59 +/- 4.82   2.252% *  0.1090% (0.98   1.0   0.02   0.02) =   0.003%
          HB    VAL   24 - HN    GLN   32  11.89 +/- 0.53   0.552% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  19.04 +/- 3.53   0.237% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  19.61 +/- 4.73   0.194% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.768, support = 2.92, residual support = 5.5:
          HB3   GLN   30 - HN    GLN   32   5.12 +/- 0.26  41.152% * 73.6082% (0.99   2.49   1.80) =  71.874%  kept
          QB    LYS+  33 - HN    GLN   32   4.79 +/- 0.38  50.070% * 23.6100% (0.20   4.01  14.99) =  28.050%  kept
          HB3   LYS+  38 - HN    GLN   32  11.95 +/- 0.82   3.534% *  0.5341% (0.90   0.02   0.02) =   0.045%
          HB3   PRO   58 - HN    GLN   32  24.51 +/- 2.92   0.525% *  0.5341% (0.90   0.02   0.02) =   0.007%
          HG3   MET   11 - HN    GLN   32  19.26 +/- 4.97   1.680% *  0.1326% (0.22   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    GLN   32  18.27 +/- 3.28   1.087% *  0.2032% (0.34   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    GLN   32  25.97 +/- 2.55   0.338% *  0.5903% (0.99   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   32  25.29 +/- 2.48   0.410% *  0.4552% (0.76   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    GLN   32  22.27 +/- 5.86   0.812% *  0.1838% (0.31   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    GLN   32  25.26 +/- 3.74   0.393% *  0.1485% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 44.4:
          HB2   LEU   31 - HN    GLN   32   2.81 +/- 0.24  90.009% * 97.3727% (0.98   5.93  44.39) =  99.974%  kept
          HG2   LYS+  99 - HN    GLN   32  14.28 +/- 4.08   2.515% *  0.2433% (0.73   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    GLN   32  13.76 +/- 4.46   2.494% *  0.2168% (0.65   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HN    GLN   32  11.14 +/- 1.42   2.177% *  0.2032% (0.61   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    GLN   32  20.71 +/- 7.32   0.604% *  0.3344% (1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    GLN   32  17.60 +/- 1.59   0.430% *  0.3005% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLN   32  19.39 +/- 3.22   0.390% *  0.3234% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLN   32  18.74 +/- 4.47   0.494% *  0.1763% (0.53   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLN   32  22.48 +/- 3.68   0.244% *  0.2561% (0.76   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLN   32  19.12 +/- 3.74   0.385% *  0.0932% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.55 +/- 1.90   0.172% *  0.1631% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  30.46 +/- 3.00   0.085% *  0.3170% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.92, residual support = 44.4:
          HB3   LEU   31 - HN    GLN   32   3.94 +/- 0.21  89.208% * 98.9130% (0.98   5.93  44.39) =  99.978%  kept
          QG1   VAL   24 - HN    GLN   32  10.51 +/- 0.38   4.919% *  0.1928% (0.57   0.02   0.02) =   0.011%
          QB    ALA   20 - HN    GLN   32  12.01 +/- 1.01   3.482% *  0.1792% (0.53   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    GLN   32  23.34 +/- 2.95   0.545% *  0.3287% (0.97   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    GLN   32  27.91 +/- 4.16   0.318% *  0.2339% (0.69   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    GLN   32  19.38 +/- 2.09   0.857% *  0.0849% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    GLN   32  22.81 +/- 4.53   0.671% *  0.0674% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.39, residual support = 15.0:
          QG    GLN   32 - HN    LYS+  33   4.29 +/- 0.16  95.775% * 98.6551% (0.84   4.39  14.99) =  99.986%  kept
          QG    GLU-  79 - HN    LYS+  33  18.31 +/- 4.23   1.928% *  0.2829% (0.53   0.02   0.02) =   0.006%
          HB    VAL  107 - HN    LYS+  33  22.32 +/- 2.36   0.745% *  0.4963% (0.92   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    LYS+  33  21.16 +/- 2.11   0.872% *  0.2829% (0.53   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    LYS+  33  25.02 +/- 4.23   0.679% *  0.2829% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 15.0:
          QB    GLN   32 - HN    LYS+  33   2.80 +/- 0.14  91.901% * 98.5911% (1.00   4.57  14.99) =  99.974%  kept
          HG3   GLU- 100 - HN    LYS+  33  14.25 +/- 5.04   4.383% *  0.3455% (0.80   0.02   0.02) =   0.017%
          HB2   PRO   68 - HN    LYS+  33  17.67 +/- 4.10   1.026% *  0.3983% (0.92   0.02   0.02) =   0.005%
          HB    VAL   24 - HN    LYS+  33  13.69 +/- 0.53   0.810% *  0.4277% (0.99   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HN    LYS+  33  13.36 +/- 2.80   1.633% *  0.0666% (0.15   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    LYS+  33  25.47 +/- 2.86   0.149% *  0.0854% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.88 +/- 3.47   0.097% *  0.0854% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.964, support = 6.1, residual support = 154.4:
      O   QB    LYS+  33 - HN    LYS+  33   2.40 +/- 0.28  88.673% * 97.8889% (0.97  10.0   6.11 154.54) =  99.881%  kept
          HB3   GLN   30 - HN    LYS+  33   5.51 +/- 0.27   7.983% *  1.2617% (0.38   1.0   0.66   0.28) =   0.116%  kept
          HB3   LYS+  38 - HN    LYS+  33  10.87 +/- 0.55   1.151% *  0.0574% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LYS+  33  18.61 +/- 3.49   0.547% *  0.0812% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LYS+  33  19.42 +/- 3.14   0.300% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  18.31 +/- 4.14   0.286% *  0.0847% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.93 +/- 2.79   0.212% *  0.1012% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  23.33 +/- 5.22   0.134% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.48 +/- 4.11   0.094% *  0.0880% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.51 +/- 2.96   0.110% *  0.0737% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  26.38 +/- 3.02   0.077% *  0.1005% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  24.46 +/- 3.18   0.157% *  0.0137% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.75 +/- 3.85   0.123% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.78 +/- 2.27   0.076% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  30.01 +/- 3.15   0.078% *  0.0157% (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 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.61, residual support = 154.5:
          HG2   LYS+  33 - HN    LYS+  33   3.23 +/- 0.26  99.093% * 98.6664% (0.61   4.61 154.54) =  99.994%  kept
          HG2   LYS+ 106 - HN    LYS+  33  20.44 +/- 3.21   0.478% *  0.6816% (0.97   0.02   0.02) =   0.003%
          QG    LYS+  81 - HN    LYS+  33  23.16 +/- 5.01   0.428% *  0.6520% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.366, support = 5.55, residual support = 143.4:
          HG3   LYS+  33 - HN    LYS+  33   2.80 +/- 0.95  68.563% * 74.6484% (0.38   5.81 154.54) =  92.731%  kept
          HB2   LEU   31 - HN    LYS+  33   5.04 +/- 0.16  20.372% * 19.4601% (0.25   2.28   1.01) =   7.183%  kept
          HG    LEU   98 - HN    LYS+  33  14.38 +/- 4.09   2.583% *  0.5936% (0.87   0.02   0.02) =   0.028%
          HB3   LEU   73 - HN    LYS+  33  11.50 +/- 2.83   2.329% *  0.3600% (0.53   0.02   0.02) =   0.015%
          HB    VAL   42 - HN    LYS+  33  13.20 +/- 1.78   1.170% *  0.3068% (0.45   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    LYS+  33  18.17 +/- 4.01   1.114% *  0.3068% (0.45   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HN    LYS+  33  18.23 +/- 5.27   0.798% *  0.3874% (0.57   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    LYS+  33  19.75 +/- 3.88   0.458% *  0.6473% (0.95   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    LYS+  33  21.86 +/- 4.17   0.447% *  0.5230% (0.76   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LYS+  33  19.93 +/- 3.29   0.425% *  0.5230% (0.76   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    LYS+  33  17.82 +/- 1.68   0.446% *  0.4151% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    LYS+  33  21.85 +/- 6.77   0.535% *  0.2568% (0.38   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    LYS+  33  19.13 +/- 3.67   0.359% *  0.3331% (0.49   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LYS+  33  24.13 +/- 1.91   0.180% *  0.6604% (0.97   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LYS+  33  28.56 +/- 3.83   0.129% *  0.4427% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  31.14 +/- 3.22   0.091% *  0.1354% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.648, support = 0.806, residual support = 1.01:
          QD2   LEU   31 - HN    LYS+  33   5.18 +/- 0.19  91.444% * 93.1031% (0.65   0.81   1.01) =  99.652%  kept
          QG2   VAL   83 - HN    LYS+  33  16.67 +/- 5.06   5.529% *  3.5289% (0.99   0.02   0.02) =   0.228%  kept
          QD1   ILE   89 - HN    LYS+  33  17.02 +/- 2.46   3.027% *  3.3680% (0.95   0.02   0.02) =   0.119%  kept
    Distance limit 4.73 A violated in 0 structures by 0.45 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.886, support = 3.23, residual support = 5.34:
          HA    LYS+  33 - HN    ASN   35   3.47 +/- 0.17  48.437% * 76.3095% (0.98   3.44   5.76) =  84.662%  kept
          HA    GLN   32 - HN    ASN   35   3.89 +/- 0.19  35.139% * 18.2652% (0.38   2.15   3.15) =  14.701%  kept
          HB2   SER   37 - HN    ASN   35   6.38 +/- 0.68   8.761% *  2.8157% (0.15   0.81   0.02) =   0.565%  kept
          HA    GLU-  29 - HN    ASN   35   7.90 +/- 0.40   4.204% *  0.4518% (1.00   0.02   0.02) =   0.044%
          HA    VAL   70 - HN    ASN   35  12.10 +/- 2.48   1.787% *  0.3461% (0.76   0.02   0.02) =   0.014%
          HA    VAL   18 - HN    ASN   35  13.35 +/- 1.41   0.967% *  0.4488% (0.99   0.02   0.02) =   0.010%
          HB2   SER   82 - HN    ASN   35  26.33 +/- 7.24   0.212% *  0.4370% (0.97   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    ASN   35  25.19 +/- 2.48   0.140% *  0.3461% (0.76   0.02   0.02) =   0.001%
          HA    SER   48 - HN    ASN   35  27.82 +/- 2.04   0.099% *  0.2929% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  25.33 +/- 3.55   0.144% *  0.1862% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  29.85 +/- 3.14   0.110% *  0.1008% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 3.96, residual support = 51.9:
          HA    GLU-  36 - HN    ASN   35   5.02 +/- 0.14  82.652% * 98.5261% (0.97   3.96  51.93) =  99.968%  kept
          HA    ASN   28 - HN    ASN   35   9.29 +/- 0.63  13.851% *  0.1020% (0.20   0.02   0.02) =   0.017%
          HA    ALA  124 - HN    ASN   35  24.77 +/- 5.23   1.196% *  0.4129% (0.80   0.02   0.02) =   0.006%
          HA    LYS+  81 - HN    ASN   35  26.28 +/- 4.68   0.742% *  0.5145% (1.00   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    ASN   35  28.65 +/- 4.25   0.728% *  0.3542% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  24.19 +/- 2.19   0.831% *  0.0903% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.84 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.371, support = 5.52, residual support = 50.1:
      O   HB2   ASN   35 - HN    ASN   35   3.09 +/- 0.45  75.842% * 71.1077% (0.31  10.0   5.83  54.57) =  90.864%  kept
          QE    LYS+  33 - HN    ASN   35   5.65 +/- 0.95  19.294% * 28.0651% (1.00   1.0   2.44   5.76) =   9.123%  kept
          HB2   ASN   28 - HN    ASN   35  10.88 +/- 0.58   2.025% *  0.2223% (0.97   1.0   0.02   0.02) =   0.008%
          QE    LYS+  65 - HN    ASN   35  18.92 +/- 3.05   0.681% *  0.1998% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   35  22.21 +/- 6.07   0.396% *  0.1490% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASN   35  14.85 +/- 3.49   1.360% *  0.0403% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  25.90 +/- 2.43   0.156% *  0.1583% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  22.18 +/- 2.36   0.245% *  0.0574% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.45, residual support = 21.3:
          QB    ALA   34 - HN    ASN   35   3.02 +/- 0.06  81.039% * 98.0779% (0.92   3.46  21.27) =  99.935%  kept
          HG3   LYS+  38 - HN    ASN   35   7.50 +/- 1.08   7.728% *  0.3481% (0.57   0.02   0.02) =   0.034%
          QG2   THR   39 - HN    ASN   35   6.98 +/- 1.20   9.772% *  0.1898% (0.31   0.02   0.02) =   0.023%
          QG2   THR   23 - HN    ASN   35  14.85 +/- 0.91   0.709% *  0.6027% (0.98   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    ASN   35  22.46 +/- 2.62   0.255% *  0.4699% (0.76   0.02   0.02) =   0.002%
          QG2   THR   77 - HN    ASN   35  19.59 +/- 1.54   0.314% *  0.1217% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  23.50 +/- 2.03   0.184% *  0.1898% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 3.88, residual support = 94.7:
      O   HB2   ASN   28 - HD21  ASN   28   3.98 +/- 0.05  79.668% * 99.6076% (0.97  10.0   3.88  94.76) =  99.977%  kept
          HB2   ASP-  86 - HD21  ASN   28  14.82 +/- 7.53   9.207% *  0.0953% (0.92   1.0   0.02   0.02) =   0.011%
          QE    LYS+  65 - HD21  ASN   28  17.27 +/- 3.33   3.912% *  0.1032% (1.00   1.0   0.02   0.02) =   0.005%
          QE    LYS+  33 - HD21  ASN   28  11.59 +/- 1.42   3.850% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          HB2   ASN   35 - HD21  ASN   28  14.11 +/- 1.45   2.038% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  18.29 +/- 4.25   1.325% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.49, residual support = 94.6:
      O   HB3   ASN   28 - HD21  ASN   28   4.01 +/- 0.05  89.680% * 97.6295% (0.90  10.0   3.50  94.76) =  99.779%  kept
          HG2   GLN   30 - HD21  ASN   28   9.01 +/- 0.77   8.576% *  2.2506% (1.00   1.0   0.41  18.64) =   0.220%  kept
          QE    LYS+ 121 - HD21  ASN   28  20.89 +/- 4.33   1.109% *  0.0790% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - HD21  ASN   28  23.59 +/- 4.14   0.635% *  0.0409% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.95, residual support = 13.9:
          QG2   VAL   24 - HD21  ASN   28   2.19 +/- 0.48  97.061% * 97.0535% (0.76   1.95  13.88) =  99.985%  kept
          HG    LEU   63 - HD21  ASN   28  19.40 +/- 3.68   0.608% *  1.1664% (0.90   0.02   0.02) =   0.008%
          HB2   LEU  104 - HD21  ASN   28  18.30 +/- 4.97   1.696% *  0.2007% (0.15   0.02   0.16) =   0.004%
          HG3   LYS+ 112 - HD21  ASN   28  26.31 +/- 3.84   0.190% *  1.2551% (0.97   0.02   0.02) =   0.003%
          QG2   VAL  108 - HD21  ASN   28  17.70 +/- 4.21   0.445% *  0.3243% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.96 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 = 5.35, residual support = 47.7:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.01  98.470% * 99.7755% (1.00  10.0   5.35  47.75) =  99.999%  kept
          HA    VAL  107 - HN    ASN   28  22.45 +/- 3.18   0.529% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    ASN   28  23.56 +/- 3.36   0.417% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  27.05 +/- 3.83   0.584% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 6.41, residual support = 13.9:
          HA    VAL   24 - HN    ASN   28   3.88 +/- 0.41  95.784% * 99.5195% (0.92   6.41  13.88) =  99.993%  kept
          HA    LYS+  38 - HN    ASN   28  14.80 +/- 1.10   2.031% *  0.1383% (0.41   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    ASN   28  17.31 +/- 2.27   1.379% *  0.1383% (0.41   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    ASN   28  20.33 +/- 2.05   0.805% *  0.2040% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.29, residual support = 47.7:
          HB2   TRP   27 - HN    ASN   28   2.98 +/- 0.27  99.040% * 99.2337% (0.80   5.29  47.75) =  99.996%  kept
          HA    THR   77 - HN    ASN   28  16.68 +/- 3.37   0.722% *  0.3912% (0.84   0.02   0.02) =   0.003%
          HD2   PRO   93 - HN    ASN   28  23.35 +/- 2.23   0.237% *  0.3751% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 6.31, residual support = 94.8:
      O   HB2   ASN   28 - HN    ASN   28   2.52 +/- 0.16  94.336% * 99.6076% (0.97  10.0   6.31  94.76) =  99.995%  kept
          QE    LYS+  33 - HN    ASN   28   9.35 +/- 1.51   2.720% *  0.0926% (0.90   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    ASN   28  16.22 +/- 6.77   1.164% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASN   28  16.42 +/- 2.92   0.625% *  0.1032% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.09 +/- 1.10   0.755% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   28  18.44 +/- 3.74   0.399% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.899, support = 5.94, residual support = 93.3:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.01  81.868% * 91.4023% (0.90  10.0   6.03  94.76) =  98.095%  kept
          HG2   GLN   30 - HN    ASN   28   6.25 +/- 0.71  17.122% *  8.4854% (1.00   1.0   1.67  18.64) =   1.905%  kept
          QE    LYS+ 121 - HN    ASN   28  20.75 +/- 3.84   0.579% *  0.0740% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    ASN   28  23.07 +/- 3.97   0.430% *  0.0383% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.54, support = 2.44, residual support = 18.3:
          HG3   GLU-  29 - HN    ASN   28   5.23 +/- 0.32  50.469% * 43.6090% (0.20   3.80  32.31) =  50.875%  kept
          HB2   GLU-  25 - HN    ASN   28   5.70 +/- 0.16  39.554% * 53.5582% (0.90   1.03   3.76) =  48.969%  kept
          QG    GLN   17 - HN    ASN   28  14.00 +/- 1.86   2.996% *  0.9289% (0.80   0.02   0.02) =   0.064%
          HB    VAL   70 - HN    ASN   28  16.19 +/- 1.95   1.926% *  0.8423% (0.73   0.02   0.02) =   0.038%
          HB2   MET   96 - HN    ASN   28  15.06 +/- 3.65   3.460% *  0.3580% (0.31   0.02   0.02) =   0.029%
          HB2   LYS+  38 - HN    ASN   28  16.99 +/- 1.26   1.594% *  0.7036% (0.61   0.02   0.02) =   0.026%
    Distance limit 4.74 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.483, support = 3.04, residual support = 13.9:
          QG2   VAL   24 - HN    ASN   28   3.64 +/- 0.22  72.961% * 53.0567% (0.45   3.31  13.88) =  77.838%  kept
          QG1   VAL   24 - HN    ASN   28   5.31 +/- 0.30  24.091% * 45.7128% (0.61   2.11  13.88) =  22.143%  kept
          HG    LEU   63 - HN    ASN   28  18.79 +/- 3.41   2.099% *  0.2210% (0.31   0.02   0.02) =   0.009%
          QG1   VAL  107 - HN    ASN   28  18.89 +/- 2.26   0.597% *  0.6610% (0.92   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - HN    ASN   28  26.48 +/- 4.09   0.253% *  0.3485% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.68 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 = 0.443, support = 2.43, residual support = 0.828:
          QD2   LEU   80 - HN    ASN   28  13.08 +/- 7.60  20.747% * 40.1606% (0.45   2.57   0.95) =  39.735%  kept
          QD1   LEU   73 - HN    ASN   28   5.46 +/- 2.38  39.591% * 18.7149% (0.15   3.48   1.21) =  35.334%  kept
          QG1   VAL   83 - HN    ASN   28  12.06 +/- 6.38  13.952% * 19.4302% (1.00   0.56   0.02) =  12.928%  kept
          QD1   LEU  104 - HN    ASN   28  14.55 +/- 4.41  11.938% * 20.9052% (0.69   0.87   0.16) =  11.902%  kept
          QD1   LEU   63 - HN    ASN   28  15.81 +/- 3.25  11.132% *  0.1076% (0.15   0.02   0.02) =   0.057%
          QG2   ILE   89 - HN    ASN   28  15.68 +/- 3.52   1.636% *  0.3948% (0.57   0.02   0.02) =   0.031%
          QD2   LEU  115 - HN    ASN   28  19.46 +/- 2.58   1.003% *  0.2867% (0.41   0.02   0.02) =   0.014%
    Distance limit 4.98 A violated in 1 structures by 0.49 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.04, residual support = 26.1:
          HA    VAL   24 - HN    TRP   27   3.12 +/- 0.19  95.579% * 99.0258% (0.99   3.04  26.13) =  99.993%  kept
          HA    LYS+  38 - HN    TRP   27  16.09 +/- 1.08   0.752% *  0.4774% (0.73   0.02   0.02) =   0.004%
          HA    ALA   61 - HN    TRP   27  16.20 +/- 2.41   0.885% *  0.1151% (0.18   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    TRP   27  19.74 +/- 1.82   0.440% *  0.2029% (0.31   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    ALA   91  19.76 +/- 4.00   0.530% *  0.0805% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  17.65 +/- 2.81   1.347% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  26.63 +/- 1.81   0.166% *  0.0590% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  22.74 +/- 2.83   0.300% *  0.0251% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.38, residual support = 106.9:
      O   HB2   TRP   27 - HN    TRP   27   2.11 +/- 0.12  80.613% * 99.8160% (0.99  10.0   5.38 106.93) =  99.997%  kept
          HD2   PRO   93 - HN    ALA   91   5.81 +/- 1.67  14.452% *  0.0123% (0.12   1.0   0.02   0.02) =   0.002%
          HA    THR   77 - HN    ALA   91   9.80 +/- 3.27   4.414% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  15.40 +/- 3.37   0.317% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  22.63 +/- 2.01   0.072% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  19.80 +/- 3.60   0.131% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 106.9:
      O   HB3   TRP   27 - HN    TRP   27   2.97 +/- 0.23  87.201% * 99.6559% (0.99  10.0   5.64 106.93) =  99.995%  kept
          HB2   PHE   97 - HN    TRP   27  18.01 +/- 3.84   2.596% *  0.0986% (0.98   1.0   0.02   0.02) =   0.003%
          QE    LYS+  99 - HN    TRP   27  16.62 +/- 3.54   1.555% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    TRP   27  18.91 +/- 3.64   0.556% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  17.04 +/- 2.47   0.753% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  18.87 +/- 3.00   0.455% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  12.29 +/- 2.79   2.040% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.69 +/- 4.38   0.977% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.78 +/- 4.02   1.877% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.00 +/- 1.90   0.669% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  19.15 +/- 3.39   0.393% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  20.98 +/- 2.49   0.310% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  19.52 +/- 3.36   0.433% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  25.21 +/- 3.14   0.186% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.69, residual support = 1.36:
          HB3   CYS   21 - HN    TRP   27   5.05 +/- 1.92  77.123% * 96.0658% (0.53   0.69   1.37) =  99.632%  kept
          HG2   MET   96 - HN    TRP   27  16.54 +/- 3.93   6.653% *  3.1966% (0.61   0.02   0.02) =   0.286%  kept
          HG2   MET   96 - HN    ALA   91  12.61 +/- 1.69  10.142% *  0.3950% (0.07   0.02   0.02) =   0.054%
          HB3   CYS   21 - HN    ALA   91  19.52 +/- 3.56   6.082% *  0.3426% (0.07   0.02   0.02) =   0.028%
    Distance limit 4.39 A violated in 6 structures by 1.08 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.45, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.35 +/- 0.25  77.908% * 94.5623% (0.98   4.46  22.69) =  99.774%  kept
          HB2   LYS+  74 - HN    TRP   27  10.51 +/- 1.53   4.233% *  3.4527% (0.80   0.20   0.02) =   0.198%  kept
          QD    LYS+  66 - HN    TRP   27  18.68 +/- 2.96   1.735% *  0.3307% (0.76   0.02   0.02) =   0.008%
          HG2   LYS+  65 - HN    TRP   27  16.02 +/- 2.49   1.186% *  0.4318% (1.00   0.02   0.02) =   0.007%
          HG    LEU  104 - HN    TRP   27  18.56 +/- 4.81   2.254% *  0.1203% (0.28   0.02   0.73) =   0.004%
          HD3   LYS+  74 - HN    TRP   27  12.62 +/- 1.53   2.191% *  0.0758% (0.18   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    TRP   27  22.81 +/- 4.21   0.350% *  0.4318% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    TRP   27  16.00 +/- 2.59   1.414% *  0.0856% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    ALA   91  18.81 +/- 4.90   0.998% *  0.0534% (0.12   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HN    TRP   27  23.95 +/- 4.76   0.397% *  0.1203% (0.28   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    ALA   91  19.38 +/- 2.83   0.843% *  0.0534% (0.12   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA   91  17.63 +/- 2.79   0.644% *  0.0428% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  19.69 +/- 2.71   0.442% *  0.0524% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.59 +/- 2.81   2.128% *  0.0106% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  20.03 +/- 3.48   0.503% *  0.0409% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  19.49 +/- 3.15   1.093% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  27.36 +/- 3.12   0.158% *  0.0856% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  17.21 +/- 3.26   0.783% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  19.81 +/- 2.13   0.435% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  21.95 +/- 1.63   0.304% *  0.0106% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.926, support = 3.13, residual support = 20.0:
          QD1   LEU   73 - HN    TRP   27   4.58 +/- 2.46  37.759% * 53.4671% (1.00   3.36  25.20) =  73.738%  kept
          QD2   LEU   80 - HN    TRP   27  12.10 +/- 7.37  18.640% * 33.2539% (0.76   2.73   6.29) =  22.640%  kept
          QD1   LEU  104 - HN    TRP   27  15.08 +/- 4.46   7.994% * 10.8826% (0.53   1.30   0.73) =   3.178%  kept
          QG1   VAL   83 - HN    TRP   27  11.79 +/- 5.77   6.005% *  1.3887% (0.15   0.56   0.56) =   0.305%  kept
          QD2   LEU   63 - HN    TRP   27  14.89 +/- 2.92   8.927% *  0.1937% (0.61   0.02   0.02) =   0.063%
          QD1   LEU   63 - HN    TRP   27  15.19 +/- 3.13   4.638% *  0.3186% (1.00   0.02   0.02) =   0.054%
          QG2   VAL   41 - HN    TRP   27   9.86 +/- 3.19   4.159% *  0.0432% (0.14   0.02   0.36) =   0.007%
          QD2   LEU  115 - HN    TRP   27  18.83 +/- 2.86   0.658% *  0.2557% (0.80   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    ALA   91  11.66 +/- 1.99   2.541% *  0.0316% (0.10   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   91  12.37 +/- 1.94   1.695% *  0.0302% (0.09   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ALA   91  14.39 +/- 3.01   1.174% *  0.0394% (0.12   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    ALA   91  15.12 +/- 1.93   0.826% *  0.0394% (0.12   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  14.98 +/- 2.29   0.902% *  0.0239% (0.07   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.64 +/- 1.20   2.571% *  0.0061% (0.02   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  16.94 +/- 1.83   0.603% *  0.0208% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.83 +/- 2.01   0.906% *  0.0053% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 1 structures by 0.53 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.899, support = 0.02, residual support = 0.876:
          QG2   VAL   75 - HN    TRP   27   9.25 +/- 2.45  41.029% * 43.3149% (0.95   0.02   1.14) =  62.055%  kept
          QG2   VAL   42 - HN    TRP   27  12.46 +/- 2.19  19.020% * 45.6877% (1.00   0.02   0.55) =  30.342%  kept
          QG2   VAL   75 - HN    ALA   91  10.57 +/- 1.95  26.598% *  5.3521% (0.12   0.02   0.02) =   4.971%  kept
          QG2   VAL   42 - HN    ALA   91  13.23 +/- 1.52  13.353% *  5.6453% (0.12   0.02   0.02) =   2.632%  kept
    Distance limit 4.59 A violated in 20 structures by 3.25 A, eliminated.
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 106.8:
          HA    TRP   27 - HE1   TRP   27   6.25 +/- 0.19  83.849% * 98.3451% (1.00   2.70 106.93) =  99.904%  kept
          HA    PRO   52 - HE1   TRP   27  24.64 +/- 4.76   8.741% *  0.3552% (0.49   0.02   0.02) =   0.038%
          HA    VAL  107 - HE1   TRP   27  19.21 +/- 3.51   4.130% *  0.6095% (0.84   0.02   0.02) =   0.030%
          HA    ALA   91 - HE1   TRP   27  20.28 +/- 4.42   3.281% *  0.6902% (0.95   0.02   0.02) =   0.027%
    Distance limit 4.96 A violated in 0 structures by 1.29 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.854, support = 1.59, residual support = 15.9:
          QD1   LEU   73 - HE1   TRP   27   5.82 +/- 2.06  27.941% * 41.4710% (0.87   1.96  25.20) =  56.685%  kept
          QD2   LEU   80 - HE1   TRP   27  11.99 +/- 7.86  13.073% * 35.7853% (0.99   1.48   6.29) =  22.885%  kept
          QD1   LEU  104 - HE1   TRP   27  12.83 +/- 4.42  14.881% * 15.6393% (0.87   0.74   0.73) =  11.385%  kept
          QG1   VAL   83 - HE1   TRP   27   9.69 +/- 7.37  29.995% *  6.0589% (0.41   0.60   0.56) =   8.890%  kept
          QD1   LEU   63 - HE1   TRP   27  14.51 +/- 3.45   3.510% *  0.4232% (0.87   0.02   0.02) =   0.073%
          QD2   LEU   63 - HE1   TRP   27  14.37 +/- 3.45   9.948% *  0.1356% (0.28   0.02   0.02) =   0.066%
          QD2   LEU  115 - HE1   TRP   27  17.39 +/- 2.22   0.653% *  0.4867% (1.00   0.02   0.02) =   0.016%
    Distance limit 4.55 A violated in 1 structures by 0.44 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.497, support = 1.72, residual support = 17.3:
          QD2   LEU   31 - HE1   TRP   27   3.90 +/- 0.85  71.270% * 51.4034% (0.31   2.14  22.59) =  72.406%  kept
          QG2   VAL   43 - HE1   TRP   27   7.75 +/- 3.43  28.730% * 48.5966% (0.99   0.63   3.40) =  27.594%  kept
    Distance limit 3.97 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.74, residual support = 31.7:
          HB2   GLU-  25 - HN    THR   26   2.76 +/- 0.29  82.937% * 98.9841% (0.90   5.74  31.69) =  99.978%  kept
          HG3   GLU-  29 - HN    THR   26   5.28 +/- 0.36  14.298% *  0.0762% (0.20   0.02   0.84) =   0.013%
          QG    GLN   17 - HN    THR   26  13.80 +/- 1.95   1.515% *  0.3081% (0.80   0.02   0.02) =   0.006%
          HB    VAL   70 - HN    THR   26  17.73 +/- 1.76   0.490% *  0.2794% (0.73   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    THR   26  17.27 +/- 3.79   0.504% *  0.1188% (0.31   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    THR   26  19.81 +/- 1.02   0.256% *  0.2334% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 0.565, support = 5.22, residual support = 31.6:
          HB3   GLU-  25 - HN    THR   26   3.44 +/- 0.22  71.977% * 95.4728% (0.57   5.23  31.69) =  99.844%  kept
          HG3   GLN   30 - HN    THR   26   7.52 +/- 0.96   7.944% *  0.5390% (0.84   0.02   4.87) =   0.062%
          HB2   GLN   30 - HN    THR   26   7.75 +/- 1.01   8.003% *  0.3395% (0.53   0.02   4.87) =   0.039%
          HB2   GLN   17 - HN    THR   26  15.68 +/- 2.47   2.212% *  0.4932% (0.76   0.02   0.02) =   0.016%
          QB    GLU-  15 - HN    THR   26  14.34 +/- 2.55   2.033% *  0.4932% (0.76   0.02   0.02) =   0.015%
          HB    ILE   19 - HN    THR   26   9.46 +/- 1.22   4.449% *  0.1277% (0.20   0.02   0.02) =   0.008%
          HB3   GLU- 100 - HN    THR   26  20.58 +/- 4.70   0.899% *  0.3914% (0.61   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    THR   26  21.95 +/- 2.64   0.395% *  0.6439% (1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    THR   26  25.59 +/- 4.37   0.493% *  0.3395% (0.53   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    THR   26  24.91 +/- 4.07   0.650% *  0.1609% (0.25   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    THR   26  29.80 +/- 3.43   0.147% *  0.5390% (0.84   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  24.74 +/- 4.18   0.273% *  0.1992% (0.31   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   26  26.79 +/- 3.70   0.203% *  0.1609% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  22.68 +/- 2.21   0.323% *  0.0996% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 4.45, residual support = 34.8:
          QG2   THR   26 - HN    THR   26   3.59 +/- 0.07  90.745% * 98.0818% (0.95   4.45  34.79) =  99.966%  kept
          HB2   LYS+  74 - HN    THR   26  11.84 +/- 1.71   3.476% *  0.4616% (0.99   0.02   0.02) =   0.018%
          HG2   LYS+  65 - HN    THR   26  17.38 +/- 2.55   1.185% *  0.4177% (0.90   0.02   0.02) =   0.006%
          QD    LYS+  66 - HN    THR   26  19.97 +/- 3.03   1.458% *  0.2088% (0.45   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  18.09 +/- 2.61   1.058% *  0.2088% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    THR   26  24.78 +/- 4.55   0.549% *  0.3890% (0.84   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  23.52 +/- 4.38   1.018% *  0.1161% (0.25   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    THR   26  24.20 +/- 3.48   0.510% *  0.1161% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.89 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 = 0.693, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.94 +/- 0.25  31.364% * 11.0578% (0.69   0.02   0.02) =  34.429%  kept
          HB3   LEU   80 - HN    THR   26  16.39 +/- 6.94  18.382% *  8.4695% (0.53   0.02   0.02) =  15.455%  kept
          QB    ALA   88 - HN    THR   26  18.57 +/- 3.76   8.462% * 13.9639% (0.87   0.02   0.02) =  11.730%  kept
          HG2   LYS+  99 - HN    THR   26  20.10 +/- 3.82   7.517% * 15.5357% (0.97   0.02   0.02) =  11.593%  kept
          QG2   THR   77 - HN    THR   26  15.01 +/- 2.67  10.526% *  7.8357% (0.49   0.02   0.02) =   8.188%  kept
          HG2   LYS+  38 - HN    THR   26  19.44 +/- 1.51   4.692% * 16.0623% (1.00   0.02   0.02) =   7.481%  kept
          HB2   LEU   63 - HN    THR   26  19.94 +/- 3.04   7.025% *  6.6181% (0.41   0.02   0.02) =   4.615%  kept
          HB3   ASP-  44 - HN    THR   26  17.23 +/- 2.43   7.275% *  4.9686% (0.31   0.02   0.02) =   3.588%  kept
          HG2   LYS+ 111 - HN    THR   26  30.23 +/- 3.84   1.564% * 12.3026% (0.76   0.02   0.02) =   1.911%  kept
          QB    ALA  124 - HN    THR   26  25.04 +/- 4.19   3.193% *  3.1858% (0.20   0.02   0.02) =   1.010%  kept
    Distance limit 4.65 A violated in 20 structures by 4.36 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 34.3:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.02  97.937% * 99.8455% (0.92  10.0   5.65  34.31) =  99.999%  kept
          HA    ALA   61 - HN    GLU-  25  18.80 +/- 3.02   0.978% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.40 +/- 1.19   0.657% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  23.14 +/- 2.27   0.427% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.606, support = 6.13, residual support = 127.5:
      O   HB2   GLU-  25 - HN    GLU-  25   3.05 +/- 0.26  86.927% * 99.5608% (0.61  10.0   6.13 127.52) =  99.991%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.13 +/- 0.35   7.203% *  0.0736% (0.45   1.0   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    GLU-  25   8.98 +/- 0.57   3.705% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  15.68 +/- 1.93   1.037% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.50 +/- 1.32   0.280% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  19.22 +/- 2.19   0.568% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  22.97 +/- 4.93   0.280% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 5.86, residual support = 127.5:
      O   HB3   GLU-  25 - HN    GLU-  25   2.25 +/- 0.45  93.100% * 98.7761% (0.57  10.0   5.86 127.52) =  99.992%  kept
          HG3   GLN   30 - HN    GLU-  25   9.84 +/- 0.85   1.774% *  0.1457% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    GLU-  25   9.80 +/- 1.03   1.733% *  0.0918% (0.53   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    GLU-  25  16.35 +/- 2.66   0.540% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    GLU-  25  17.78 +/- 2.45   0.428% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLU-  25  21.30 +/- 5.39   0.391% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  11.51 +/- 1.50   1.100% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  23.74 +/- 3.04   0.162% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  26.28 +/- 4.86   0.190% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  29.73 +/- 3.78   0.063% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  25.03 +/- 4.19   0.168% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  24.53 +/- 4.60   0.104% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  26.93 +/- 4.11   0.114% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  24.37 +/- 2.62   0.132% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.34, residual support = 6.41:
          QG2   THR   23 - HN    GLU-  25   4.01 +/- 0.82  91.288% * 98.6456% (0.73   3.34   6.41) =  99.965%  kept
          QG2   THR   77 - HN    GLU-  25  14.85 +/- 2.79   2.294% *  0.5906% (0.73   0.02   0.02) =   0.015%
          QB    ALA   34 - HN    GLU-  25  12.30 +/- 0.66   3.898% *  0.3053% (0.38   0.02   0.02) =   0.013%
          QB    ALA   88 - HN    GLU-  25  17.85 +/- 4.50   1.356% *  0.2774% (0.34   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    GLU-  25  21.66 +/- 3.05   1.163% *  0.1811% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.56, residual support = 34.3:
          QG2   VAL   24 - HN    GLU-  25   3.55 +/- 0.28  97.297% * 99.2372% (0.97   4.56  34.31) =  99.991%  kept
          HG    LEU   63 - HN    GLU-  25  20.95 +/- 3.82   1.882% *  0.3913% (0.87   0.02   0.02) =   0.008%
          QG1   VAL  107 - HN    GLU-  25  20.63 +/- 2.80   0.579% *  0.1693% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    GLU-  25  28.06 +/- 4.08   0.241% *  0.2022% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 127.5:
          HG2   GLU-  25 - HN    GLU-  25   3.85 +/- 0.61  94.856% * 99.4313% (0.97   5.28 127.52) =  99.993%  kept
          HB3   TRP   87 - HN    GLU-  25  17.99 +/- 4.82   3.325% *  0.1206% (0.31   0.02   0.02) =   0.004%
          HB3   PHE   95 - HN    GLU-  25  20.85 +/- 2.33   0.808% *  0.1901% (0.49   0.02   0.02) =   0.002%
          HG2   GLN  116 - HN    GLU-  25  27.19 +/- 4.90   0.560% *  0.1606% (0.41   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  25  27.84 +/- 5.25   0.451% *  0.0974% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 64.9:
      O   HA    VAL   24 - HN    VAL   24   2.73 +/- 0.06  98.821% * 99.8455% (0.92  10.0   4.34  64.94) =  99.999%  kept
          HA    ALA   61 - HN    VAL   24  17.25 +/- 3.17   0.683% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  22.25 +/- 2.75   0.228% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.95 +/- 1.49   0.268% *  0.0445% (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 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 64.9:
      O   HB    VAL   24 - HN    VAL   24   2.52 +/- 0.17  86.513% * 99.7135% (0.95  10.0   4.68  64.94) =  99.996%  kept
          HB3   GLU-  79 - HN    VAL   24  11.57 +/- 5.83  11.969% *  0.0163% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    VAL   24  12.07 +/- 0.63   0.840% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  21.54 +/- 4.81   0.530% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  23.33 +/- 3.16   0.148% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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   3.93 +/- 0.40  88.734% * 99.1628% (0.73   5.43  25.78) =  99.971%  kept
          QG2   THR   77 - HN    VAL   24  12.85 +/- 2.82   3.511% *  0.3651% (0.73   0.02   0.02) =   0.015%
          QB    ALA   34 - HN    VAL   24  12.68 +/- 0.90   3.072% *  0.1887% (0.38   0.02   0.02) =   0.007%
          QB    ALA   88 - HN    VAL   24  16.37 +/- 4.24   3.300% *  0.1715% (0.34   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    VAL   24  20.11 +/- 3.25   1.383% *  0.1119% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 4.14, residual support = 64.9:
          QG1   VAL   24 - HN    VAL   24   2.00 +/- 0.15  85.205% * 77.1653% (0.90   4.08  64.94) =  95.511%  kept
          QG2   VAL   24 - HN    VAL   24   3.69 +/- 0.03  14.102% * 21.9026% (0.20   5.25  64.94) =   4.487%  kept
          QG1   VAL  107 - HN    VAL   24  19.18 +/- 3.04   0.127% *  0.4176% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.77 +/- 0.51   0.337% *  0.0938% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  25.70 +/- 4.68   0.065% *  0.3373% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  23.42 +/- 4.85   0.164% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.9, support = 1.96, residual support = 3.23:
          QD1   LEU   73 - HN    VAL   24   6.40 +/- 1.87  31.804% * 59.1956% (1.00   2.16   3.30) =  64.973%  kept
          QD2   LEU   80 - HN    VAL   24  10.82 +/- 6.80  27.436% * 34.2651% (0.76   1.64   3.30) =  32.443%  kept
          QG1   VAL   83 - HN    VAL   24  10.81 +/- 5.42  13.705% *  4.8577% (0.15   1.15   0.60) =   2.298%  kept
          QD2   LEU   63 - HN    VAL   24  16.30 +/- 3.56  10.124% *  0.3326% (0.61   0.02   0.02) =   0.116%  kept
          QD1   LEU  104 - HN    VAL   24  16.99 +/- 4.67   8.449% *  0.2885% (0.53   0.02   0.02) =   0.084%
          QD1   LEU   63 - HN    VAL   24  16.45 +/- 3.39   2.842% *  0.5471% (1.00   0.02   0.02) =   0.054%
          QD2   LEU  115 - HN    VAL   24  19.10 +/- 3.77   1.399% *  0.4391% (0.80   0.02   0.02) =   0.021%
          QG2   VAL   41 - HN    VAL   24  12.45 +/- 3.00   4.241% *  0.0742% (0.14   0.02   0.02) =   0.011%
    Distance limit 3.87 A violated in 5 structures by 0.85 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.02, residual support = 21.7:
          HB2   HIS   22 - HN    THR   23   4.45 +/- 0.15  86.982% * 99.6116% (0.99   5.02  21.73) =  99.981%  kept
          HA    LEU   63 - HN    THR   23  17.96 +/- 2.78   3.488% *  0.3342% (0.84   0.02   0.02) =   0.013%
          HA2   GLY  101 - HN    THR   23  20.85 +/- 5.25   9.530% *  0.0542% (0.14   0.02   0.02) =   0.006%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.63, residual support = 21.7:
          HB3   HIS   22 - HN    THR   23   4.22 +/- 0.33  98.111% * 99.7180% (0.76   5.63  21.73) =  99.998%  kept
          HB2   PHE   95 - HN    THR   23  18.69 +/- 2.66   1.278% *  0.0917% (0.20   0.02   0.02) =   0.001%
          HD3   ARG+  54 - HN    THR   23  24.76 +/- 3.44   0.611% *  0.1904% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.39, residual support = 4.16:
          HB3   CYS   21 - HN    THR   23   4.29 +/- 0.99 100.000% *100.0000% (1.00   2.39   4.16) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.732, support = 1.91, residual support = 12.5:
          QG2   THR   26 - HN    THR   23   4.48 +/- 0.34  68.869% * 85.6951% (0.73   1.97  12.93) =  96.744%  kept
          HB2   LYS+  74 - HN    THR   23   8.32 +/- 1.83  18.071% * 10.5435% (0.95   0.19   0.02) =   3.123%  kept
          HG2   LYS+  65 - HN    THR   23  14.65 +/- 2.49   2.886% *  0.7761% (0.65   0.02   0.02) =   0.037%
          QB    ALA  120 - HN    THR   23  21.87 +/- 4.56   2.991% *  0.5840% (0.49   0.02   0.02) =   0.029%
          HG    LEU  115 - HN    THR   23  21.47 +/- 3.81   2.354% *  0.5840% (0.49   0.02   0.02) =   0.023%
          HB3   LEU   40 - HN    THR   23  17.79 +/- 2.43   1.476% *  0.8712% (0.73   0.02   0.02) =   0.021%
          HD2   LYS+ 121 - HN    THR   23  23.20 +/- 4.70   1.318% *  0.6792% (0.57   0.02   0.02) =   0.015%
          QD    LYS+  66 - HN    THR   23  17.90 +/- 2.97   2.036% *  0.2671% (0.22   0.02   0.02) =   0.009%
    Distance limit 4.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.88, residual support = 19.1:
          QG2   THR   23 - HN    THR   23   3.07 +/- 0.59  92.448% * 97.7613% (0.41   4.88  19.12) =  99.953%  kept
          QG2   THR   77 - HN    THR   23  12.03 +/- 2.69   2.830% *  0.9403% (0.97   0.02   0.02) =   0.029%
          QB    ALA   88 - HN    THR   23  17.01 +/- 3.08   1.620% *  0.6303% (0.65   0.02   0.02) =   0.011%
          QB    ALA   34 - HN    THR   23  11.89 +/- 1.05   2.104% *  0.1503% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    THR   23  20.26 +/- 3.31   0.586% *  0.2169% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   23  20.78 +/- 1.77   0.411% *  0.3007% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.93 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 = 0.451, support = 1.09, residual support = 0.535:
          QD1   LEU   73 - HN    THR   23   5.14 +/- 1.99  39.642% * 47.7935% (0.53   0.99   0.61) =  68.111%  kept
          QD2   LEU   80 - HN    THR   23  10.85 +/- 6.23  18.143% * 32.5895% (0.20   1.80   0.39) =  21.256%  kept
          QD1   LEU   80 - HN    THR   23  11.27 +/- 6.60  18.400% * 14.4071% (0.45   0.35   0.39) =   9.530%  kept
          QD2   LEU   63 - HN    THR   23  14.65 +/- 2.86   9.597% *  1.8293% (1.00   0.02   0.02) =   0.631%  kept
          QD1   LEU   63 - HN    THR   23  14.81 +/- 2.95   5.450% *  0.9646% (0.53   0.02   0.02) =   0.189%  kept
          QG2   VAL   41 - HN    THR   23  11.54 +/- 2.85   3.758% *  1.1860% (0.65   0.02   0.02) =   0.160%  kept
          QD2   LEU   98 - HN    THR   23  12.92 +/- 3.28   3.294% *  0.8219% (0.45   0.02   0.02) =   0.097%
          QD2   LEU  115 - HN    THR   23  18.02 +/- 3.44   1.716% *  0.4082% (0.22   0.02   0.02) =   0.025%
    Distance limit 3.94 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 35.2:
      O   HB3   HIS   22 - HN    HIS   22   3.12 +/- 0.60  99.589% * 99.9260% (0.98  10.0   3.46  35.25) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  24.41 +/- 4.06   0.411% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.265, support = 6.65, residual support = 168.6:
          HG3   ARG+  54 - HN    ARG+  54   3.67 +/- 0.78  49.172% * 95.1149% (0.26   6.68 169.42) =  99.500%  kept
          QB    ALA   57 - HN    ARG+  54   5.67 +/- 1.72  23.379% *  0.7828% (0.72   0.02   0.02) =   0.389%  kept
          QB    ALA   57 - HN    ASP-  62   6.75 +/- 1.02  12.094% *  0.1465% (0.14   0.02   0.02) =   0.038%
          HB3   LEU  123 - HN    ARG+  54  20.24 +/- 3.95   0.790% *  1.0040% (0.93   0.02   0.02) =   0.017%
          HD3   LYS+ 111 - HN    ARG+  54  16.22 +/- 3.87   0.765% *  0.8202% (0.76   0.02   0.02) =   0.013%
          HD2   LYS+  74 - HN    ASP-  62  10.56 +/- 2.94   6.867% *  0.0859% (0.08   0.02   0.02) =   0.013%
          HD2   LYS+  74 - HN    ARG+  54  16.10 +/- 2.80   0.870% *  0.4592% (0.42   0.02   0.02) =   0.008%
          QD    LYS+  33 - HN    ARG+  54  25.19 +/- 3.06   0.297% *  1.0040% (0.93   0.02   0.02) =   0.006%
          QD    LYS+  33 - HN    ASP-  62  17.55 +/- 2.70   1.398% *  0.1879% (0.17   0.02   0.02) =   0.006%
          HB3   LEU  123 - HN    ASP-  62  14.16 +/- 1.60   1.328% *  0.1879% (0.17   0.02   0.02) =   0.005%
          HG3   ARG+  54 - HN    ASP-  62  12.87 +/- 2.18   2.601% *  0.0533% (0.05   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HN    ASP-  62  19.09 +/- 1.66   0.440% *  0.1535% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 3.41, residual support = 29.9:
      O   HB2   CYS   21 - HN    CYS   21   2.83 +/- 0.44  95.247% * 99.8975% (0.90  10.0   3.41  29.95) =  99.999%  kept
          HB2   CYS   21 - HN    ILE  119  20.83 +/- 4.84   1.131% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    CYS   21  14.29 +/- 3.34   1.100% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.95 +/- 1.11   1.350% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  24.08 +/- 3.28   0.268% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.00 +/- 1.55   0.904% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 3.42, residual support = 29.9:
      O   HB3   CYS   21 - HN    CYS   21   3.17 +/- 0.50  93.557% * 99.8170% (0.53  10.0   3.42  29.95) =  99.996%  kept
          HG2   MET   96 - HN    CYS   21  15.77 +/- 3.24   1.497% *  0.1151% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   CYS   21 - HN    ILE  119  21.17 +/- 4.90   3.444% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  14.19 +/- 2.65   1.501% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 4.06 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 = 0.568, support = 0.02, residual support = 0.136:
          HG    LEU  123 - HN    ILE  119   7.32 +/- 0.96  18.787% *  3.5886% (0.32   0.02   0.68) =  17.455%  kept
          HB    VAL   41 - HN    CYS   21  11.69 +/- 2.92   6.937% *  9.1141% (0.80   0.02   0.02) =  16.369%  kept
          HG    LEU  123 - HN    CYS   21  23.19 +/- 5.11   5.324% * 11.3569% (1.00   0.02   0.02) =  15.655%  kept
          HG12  ILE  103 - HN    CYS   21  17.06 +/- 3.54   3.966% * 10.5070% (0.92   0.02   0.02) =  10.788%  kept
          QB    LYS+  66 - HN    CYS   21  14.16 +/- 1.92   2.528% *  6.9036% (0.61   0.02   0.02) =   4.518%  kept
          QB    LYS+  66 - HN    ILE  119  11.92 +/- 3.33   7.796% *  2.1815% (0.19   0.02   0.02) =   4.403%  kept
          HB3   ASP- 105 - HN    ILE  119  10.42 +/- 4.50  14.967% *  1.1101% (0.10   0.02   0.02) =   4.302%  kept
          QB    LYS+  33 - HN    CYS   21  11.37 +/- 1.54   5.241% *  2.5341% (0.22   0.02   0.02) =   3.438%  kept
          HB3   PRO   52 - HN    ILE  119  14.86 +/- 3.10   3.195% *  3.5886% (0.32   0.02   0.02) =   2.968%  kept
          HB3   ASP- 105 - HN    CYS   21  19.04 +/- 3.73   3.024% *  3.5131% (0.31   0.02   0.02) =   2.751%  kept
          HB    ILE  103 - HN    CYS   21  19.36 +/- 3.61   2.142% *  4.2718% (0.38   0.02   0.02) =   2.369%  kept
          HB3   PRO   52 - HN    CYS   21  22.61 +/- 2.10   0.784% * 11.3569% (1.00   0.02   0.02) =   2.305%  kept
          HG12  ILE  103 - HN    ILE  119  16.30 +/- 2.98   2.020% *  3.3201% (0.29   0.02   0.02) =   1.736%  kept
          HG3   PRO   68 - HN    CYS   21  17.77 +/- 2.45   1.300% *  4.6793% (0.41   0.02   0.02) =   1.575%  kept
          HG2   PRO   93 - HN    ILE  119  12.59 +/- 2.82   4.541% *  1.2268% (0.11   0.02   0.02) =   1.442%  kept
          HG3   PRO   68 - HN    ILE  119  15.66 +/- 4.18   3.480% *  1.4786% (0.13   0.02   0.02) =   1.332%  kept
          HB    VAL   41 - HN    ILE  119  17.04 +/- 2.59   1.632% *  2.8799% (0.25   0.02   0.02) =   1.217%  kept
          QB    LYS+ 102 - HN    CYS   21  18.86 +/- 3.29   2.181% *  1.9934% (0.18   0.02   0.02) =   1.126%  kept
          HG2   PRO   93 - HN    CYS   21  19.85 +/- 1.92   0.953% *  3.8825% (0.34   0.02   0.02) =   0.958%  kept
          HG2   ARG+  54 - HN    CYS   21  21.89 +/- 2.87   0.909% *  3.8825% (0.34   0.02   0.02) =   0.914%  kept
          HB    ILE  103 - HN    ILE  119  16.79 +/- 3.24   1.884% *  1.3499% (0.12   0.02   0.02) =   0.658%  kept
          HB3   GLN   90 - HN    CYS   21  20.36 +/- 3.56   1.056% *  1.9934% (0.18   0.02   0.02) =   0.545%  kept
          HG2   ARG+  54 - HN    ILE  119  16.10 +/- 1.72   1.714% *  1.2268% (0.11   0.02   0.02) =   0.544%  kept
          QB    LYS+ 102 - HN    ILE  119  17.81 +/- 3.36   1.552% *  0.6299% (0.06   0.02   0.02) =   0.253%  kept
          HB3   GLN   90 - HN    ILE  119  19.36 +/- 2.59   1.238% *  0.6299% (0.06   0.02   0.02) =   0.202%  kept
          QB    LYS+  33 - HN    ILE  119  21.76 +/- 3.34   0.850% *  0.8007% (0.07   0.02   0.02) =   0.176%  kept
    Distance limit 3.67 A violated in 19 structures by 2.39 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.563, support = 5.84, residual support = 136.8:
          QB    ALA   20 - HN    CYS   21   3.55 +/- 0.12  33.886% * 53.6051% (0.80   3.84  16.31) =  51.746%  kept
          HG13  ILE  119 - HN    ILE  119   3.35 +/- 0.81  38.857% * 43.3938% (0.31   8.03 267.13) =  48.034%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.66 +/- 0.38   3.589% *  1.5517% (0.13   0.68   7.40) =   0.159%  kept
          QG1   VAL   24 - HN    CYS   21   8.06 +/- 1.38   7.258% *  0.1077% (0.31   0.02   0.02) =   0.022%
          HG13  ILE  119 - HN    CYS   21  19.12 +/- 4.05   1.068% *  0.3420% (0.98   0.02   0.02) =   0.010%
          HB3   LEU   31 - HN    CYS   21  12.39 +/- 1.16   0.904% *  0.3367% (0.97   0.02   0.02) =   0.009%
          QB    ALA   20 - HN    ILE  119  17.75 +/- 3.92   2.383% *  0.0883% (0.25   0.02   0.02) =   0.006%
          QG2   VAL  107 - HN    ILE  119   6.75 +/- 1.50   7.763% *  0.0245% (0.07   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - HN    ILE  119   9.89 +/- 1.56   1.909% *  0.0453% (0.13   0.02   0.02) =   0.002%
          QG2   VAL  107 - HN    CYS   21  16.11 +/- 2.83   0.874% *  0.0777% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    CYS   21  22.32 +/- 4.90   0.281% *  0.1434% (0.41   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  22.68 +/- 4.54   0.214% *  0.1434% (0.41   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    ILE  119  20.60 +/- 4.53   0.812% *  0.0340% (0.10   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.38 +/- 2.67   0.204% *  0.1064% (0.30   0.02   0.02) =   0.001%
    Distance limit 3.65 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 = 0.534, support = 2.14, residual support = 8.99:
          QD2   LEU   73 - HN    CYS   21   5.30 +/- 1.77  25.490% * 72.7315% (0.57   2.38  10.66) =  83.799%  kept
          QD1   ILE   19 - HN    CYS   21   6.07 +/- 0.73  15.219% * 15.6248% (0.22   1.30   0.53) =  10.749%  kept
          QG2   VAL   18 - HN    CYS   21   6.24 +/- 1.32  15.570% *  6.3150% (0.65   0.18   0.02) =   4.445%  kept
          QG1   VAL   43 - HN    CYS   21   9.62 +/- 3.59   9.142% *  0.9358% (0.87   0.02   0.02) =   0.387%  kept
          QG2   THR   46 - HN    CYS   21  11.01 +/- 3.65   7.019% *  0.5676% (0.53   0.02   0.02) =   0.180%  kept
          QG1   VAL   41 - HN    CYS   21  10.44 +/- 2.18   3.283% *  1.0575% (0.98   0.02   0.02) =   0.157%  kept
          HG    LEU   31 - HN    CYS   21  10.09 +/- 1.23   3.303% *  0.7834% (0.73   0.02   0.02) =   0.117%  kept
          QD1   ILE   56 - HN    ILE  119   7.77 +/- 1.44   8.655% *  0.1052% (0.10   0.02   0.02) =   0.041%
          QD2   LEU   73 - HN    ILE  119  14.50 +/- 2.76   3.774% *  0.1930% (0.18   0.02   0.02) =   0.033%
          QG1   VAL   43 - HN    ILE  119  12.78 +/- 2.01   1.698% *  0.2957% (0.27   0.02   0.02) =   0.023%
          QG2   VAL   18 - HN    ILE  119  14.37 +/- 3.19   1.970% *  0.2205% (0.20   0.02   0.02) =   0.020%
          QG1   VAL   41 - HN    ILE  119  15.12 +/- 2.36   1.044% *  0.3342% (0.31   0.02   0.02) =   0.016%
          QD1   ILE   56 - HN    CYS   21  16.40 +/- 2.46   0.920% *  0.3330% (0.31   0.02   0.02) =   0.014%
          QG2   THR   46 - HN    ILE  119  13.29 +/- 2.39   1.609% *  0.1794% (0.17   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    ILE  119  20.95 +/- 2.39   0.379% *  0.2475% (0.23   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    ILE  119  17.96 +/- 3.11   0.924% *  0.0759% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.483, support = 5.05, residual support = 10.2:
          QD1   LEU   73 - HN    CYS   21   4.13 +/- 2.31  32.318% * 80.3126% (0.53   5.14  10.66) =  90.252%  kept
          QD2   LEU  115 - HN    ILE  119   4.83 +/- 1.00  19.904% * 10.6977% (0.07   5.12   7.18) =   7.404%  kept
          QD1   LEU   63 - HN    ILE  119   8.25 +/- 3.19   9.103% *  6.3059% (0.17   1.28   0.37) =   1.996%  kept
          QD2   LEU   63 - HN    CYS   21  12.09 +/- 1.84   3.296% *  0.5925% (1.00   0.02   0.02) =   0.068%
          QD1   LEU   80 - HN    CYS   21  11.79 +/- 5.79   6.990% *  0.2662% (0.45   0.02   0.02) =   0.065%
          QD1   LEU   63 - HN    CYS   21  12.29 +/- 2.17   5.643% *  0.3124% (0.53   0.02   0.02) =   0.061%
          QD2   LEU   63 - HN    ILE  119   8.66 +/- 3.23   8.199% *  0.1872% (0.32   0.02   0.37) =   0.053%
          QG2   VAL   41 - HN    CYS   21   9.79 +/- 2.73   3.912% *  0.3841% (0.65   0.02   0.02) =   0.052%
          QD2   LEU   80 - HN    CYS   21  11.48 +/- 5.32   4.211% *  0.1175% (0.20   0.02   0.02) =   0.017%
          QD2   LEU   98 - HN    CYS   21  11.87 +/- 2.77   1.675% *  0.2662% (0.45   0.02   0.02) =   0.016%
          QD1   LEU   73 - HN    ILE  119  16.14 +/- 3.05   1.697% *  0.0987% (0.17   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    CYS   21  16.14 +/- 3.04   0.701% *  0.1322% (0.22   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    ILE  119  15.17 +/- 2.17   0.740% *  0.1214% (0.20   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    ILE  119  14.64 +/- 2.67   0.822% *  0.0841% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE  119  19.60 +/- 3.16   0.345% *  0.0841% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  19.61 +/- 3.47   0.443% *  0.0371% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.306, support = 5.46, residual support = 55.2:
          HN    THR  118 - HN    ILE  119   2.55 +/- 0.11  79.484% * 50.2488% (0.28   5.83  60.30) =  88.923%  kept
          HN    GLN  116 - HN    ILE  119   4.92 +/- 0.31  11.282% * 42.7491% (0.53   2.62  15.17) =  10.738%  kept
          HN    GLU- 114 - HN    ILE  119   8.20 +/- 0.34   2.430% *  5.1355% (0.95   0.17   0.02) =   0.278%  kept
          HN    PHE   60 - HN    ILE  119   8.92 +/- 0.90   2.196% *  0.7245% (0.14   0.17   0.02) =   0.035%
          HN    LEU   71 - HN    ILE  119  16.24 +/- 4.06   1.420% *  0.5870% (0.95   0.02   0.02) =   0.019%
          HN    LEU   71 - HN    CYS   21  12.19 +/- 1.26   0.875% *  0.1855% (0.30   0.02   0.02) =   0.004%
          HN    GLU- 114 - HN    CYS   21  23.89 +/- 4.26   0.323% *  0.1855% (0.30   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  20.97 +/- 4.62   1.086% *  0.0545% (0.09   0.02   0.02) =   0.001%
          HN    GLN  116 - HN    CYS   21  21.61 +/- 4.13   0.473% *  0.1032% (0.17   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  16.05 +/- 2.57   0.430% *  0.0265% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.595, support = 2.65, residual support = 20.5:
          QE    PHE   59 - HN    ILE  119   3.23 +/- 0.61  65.016% * 21.4778% (0.22   3.00  23.85) =  51.530%  kept
          HN    HIS  122 - HN    ILE  119   5.30 +/- 0.14  17.439% * 74.1735% (1.00   2.31  16.87) =  47.733%  kept
          HN    PHE   59 - HN    ILE  119   8.11 +/- 0.74   5.589% *  3.1412% (0.57   0.17  23.85) =   0.648%  kept
          HH2   TRP   87 - HN    CYS   21  13.57 +/- 4.15   9.081% *  0.2028% (0.32   0.02   0.02) =   0.068%
          HH2   TRP   87 - HN    ILE  119  19.59 +/- 3.29   0.473% *  0.6417% (1.00   0.02   0.02) =   0.011%
          HN    HIS  122 - HN    CYS   21  21.03 +/- 4.50   0.701% *  0.2028% (0.32   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    CYS   21  17.82 +/- 2.82   0.585% *  0.1151% (0.18   0.02   0.02) =   0.002%
          QE    PHE   59 - HN    CYS   21  16.15 +/- 3.12   1.117% *  0.0452% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.32, residual support = 16.3:
          HN    ALA   20 - HN    CYS   21   4.23 +/- 0.14  97.833% * 99.8100% (0.95   3.32  16.31) =  99.996%  kept
          HN    ALA   20 - HN    ILE  119  21.02 +/- 3.96   2.167% *  0.1900% (0.30   0.02   0.02) =   0.004%
    Distance limit 4.52 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 = 0.998, support = 5.78, residual support = 52.2:
        T HN    ALA  120 - HN    ILE  119   2.64 +/- 0.14  78.808% * 94.7967% (1.00 10.00   5.82  52.60) =  99.064%  kept
          HE21  GLN  116 - HN    ILE  119   5.55 +/- 1.23  14.918% *  4.7115% (0.80  1.00   1.24  15.17) =   0.932%  kept
        T HN    ALA  120 - HN    CYS   21  21.84 +/- 4.57   0.586% *  0.2995% (0.32 10.00   0.02   0.02) =   0.002%
          HN    ALA   57 - HN    ILE  119  10.94 +/- 1.11   1.249% *  0.0688% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HN    ILE  119  10.77 +/- 0.28   1.174% *  0.0236% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.65 +/- 4.28   0.305% *  0.0240% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.62 +/- 2.38   1.375% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  19.11 +/- 3.13   0.275% *  0.0218% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  20.69 +/- 3.87   0.307% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.45 +/- 5.33   0.616% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.37 +/- 3.46   0.173% *  0.0166% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  21.60 +/- 4.48   0.214% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.67, residual support = 60.3:
          HB    THR  118 - HN    ILE  119   3.31 +/- 0.24  86.514% * 98.1720% (0.98   5.67  60.30) =  99.980%  kept
          HB    THR  118 - HN    CYS   21  19.53 +/- 4.71   5.271% *  0.1095% (0.31   0.02   0.02) =   0.007%
          HA    ILE   89 - HN    ILE  119  16.86 +/- 2.05   0.804% *  0.3169% (0.90   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    ILE  119  22.88 +/- 4.13   0.509% *  0.3169% (0.90   0.02   0.02) =   0.002%
          QB    SER   13 - HN    CYS   21  14.91 +/- 2.86   1.833% *  0.0811% (0.23   0.02   0.02) =   0.002%
          HB    THR   39 - HN    ILE  119  20.21 +/- 3.39   0.518% *  0.2701% (0.76   0.02   0.02) =   0.002%
          HB    THR   39 - HN    CYS   21  14.80 +/- 3.02   1.499% *  0.0853% (0.24   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    CYS   21  15.90 +/- 2.12   0.944% *  0.1002% (0.28   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  18.03 +/- 2.80   0.749% *  0.1002% (0.28   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ILE  119  25.66 +/- 3.05   0.213% *  0.2566% (0.73   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  25.38 +/- 3.52   0.283% *  0.1453% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  17.85 +/- 4.92   0.863% *  0.0459% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.895, support = 8.54, residual support = 266.2:
          HG12  ILE  119 - HN    ILE  119   2.75 +/- 0.56  72.444% * 93.0696% (0.90   8.56 267.13) =  99.664%  kept
          HB3   PHE   72 - HN    CYS   21   9.53 +/- 1.13   3.186% *  3.8281% (0.30   1.04   0.02) =   0.180%  kept
          HB2   ASP- 105 - HN    ILE  119   9.62 +/- 4.21   7.301% *  1.2299% (0.14   0.75   0.02) =   0.133%  kept
          HB2   ASP-  44 - HN    CYS   21  10.74 +/- 2.90   5.027% *  0.0687% (0.28   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    ILE  119  14.79 +/- 3.23   1.299% *  0.2339% (0.97   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    ILE  119  12.65 +/- 2.43   1.208% *  0.2173% (0.90   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    ILE  119  17.32 +/- 2.71   0.442% *  0.2402% (0.99   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    CYS   21  12.46 +/- 2.04   1.672% *  0.0613% (0.25   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    CYS   21  10.06 +/- 1.13   2.394% *  0.0403% (0.17   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   21  12.84 +/- 2.43   1.349% *  0.0707% (0.29   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  16.71 +/- 3.40   0.522% *  0.0996% (0.41   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  21.69 +/- 2.96   0.262% *  0.1940% (0.80   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ILE  119  23.86 +/- 2.70   0.165% *  0.2237% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    CYS   21  18.71 +/- 3.78   0.512% *  0.0687% (0.28   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   21  18.04 +/- 3.58   0.451% *  0.0759% (0.31   0.02   0.02) =   0.001%
          QB    MET   11 - HN    CYS   21  17.21 +/- 4.78   0.885% *  0.0261% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  25.87 +/- 3.50   0.122% *  0.1275% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  20.85 +/- 3.19   0.274% *  0.0315% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.54 +/- 2.62   0.078% *  0.0827% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.11 +/- 3.83   0.411% *  0.0104% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.57, residual support = 267.1:
      O   HB    ILE  119 - HN    ILE  119   2.29 +/- 0.23  79.790% * 99.0354% (0.92  10.0   7.58 267.13) =  99.991%  kept
          HG3   GLN   30 - HN    CYS   21   6.44 +/- 1.99   8.760% *  0.0336% (0.31   1.0   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    CYS   21   7.52 +/- 1.67   3.421% *  0.0313% (0.29   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ILE  119  13.10 +/- 2.16   0.507% *  0.0779% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ILE  119  11.68 +/- 2.42   1.053% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  11.73 +/- 1.51   0.664% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  15.92 +/- 1.80   0.360% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  16.76 +/- 3.55   0.305% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  21.19 +/- 2.90   0.149% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.63 +/- 4.21   0.507% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  20.93 +/- 2.77   0.151% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  16.81 +/- 2.78   0.430% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.81 +/- 0.64   0.823% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  22.74 +/- 3.75   0.089% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.21 +/- 1.44   0.653% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.55 +/- 1.07   1.079% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  19.92 +/- 2.91   0.204% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  20.85 +/- 3.51   0.143% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  21.52 +/- 3.44   0.135% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  27.51 +/- 4.88   0.202% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.39 +/- 3.20   0.138% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  21.60 +/- 3.00   0.131% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  17.98 +/- 2.14   0.208% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  25.47 +/- 3.48   0.099% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.916, support = 7.59, residual support = 243.2:
          HG13  ILE  119 - HN    ILE  119   3.35 +/- 0.81  34.920% * 85.5976% (0.99   8.03 267.13) =  90.623%  kept
          QB    ALA   20 - HN    CYS   21   3.55 +/- 0.12  29.411% *  7.9090% (0.19   3.84  16.31) =   7.052%  kept
          QG1   VAL  107 - HN    ILE  119   5.71 +/- 2.42  18.223% *  3.8375% (0.20   1.80   0.02) =   2.120%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.66 +/- 0.38   3.135% *  1.8360% (0.25   0.68   7.40) =   0.175%  kept
          QB    ALA   20 - HN    ILE  119  17.75 +/- 3.92   2.248% *  0.1304% (0.61   0.02   0.02) =   0.009%
          QG1   VAL   24 - HN    CYS   21   8.06 +/- 1.38   6.765% *  0.0331% (0.15   0.02   0.02) =   0.007%
          HD3   LYS+ 112 - HN    ILE  119   9.89 +/- 1.56   1.675% *  0.1304% (0.61   0.02   0.02) =   0.007%
          QG1   VAL   24 - HN    ILE  119  20.60 +/- 4.53   0.763% *  0.1047% (0.49   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    CYS   21  19.12 +/- 4.05   0.999% *  0.0674% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    CYS   21  12.39 +/- 1.16   0.774% *  0.0678% (0.32   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    ILE  119  21.38 +/- 2.67   0.178% *  0.2146% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  22.68 +/- 4.54   0.196% *  0.0412% (0.19   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.78 +/- 2.41   0.452% *  0.0134% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  22.32 +/- 4.90   0.259% *  0.0169% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.255, support = 1.42, residual support = 7.34:
          HG3   LYS+  74 - HN    CYS   21   6.47 +/- 2.25  25.171% * 44.1966% (0.23   1.53   9.98) =  69.984%  kept
          HB    VAL   75 - HN    CYS   21   9.00 +/- 2.41   9.616% * 41.6846% (0.24   1.37   1.41) =  25.216%  kept
          QD1   LEU   67 - HN    ILE  119  11.13 +/- 3.70  10.363% *  2.3241% (0.92   0.02   0.02) =   1.515%  kept
          QD2   LEU   40 - HN    ILE  119  11.94 +/- 2.66   4.582% *  2.3816% (0.95   0.02   0.02) =   0.686%  kept
          QG2   ILE  103 - HN    ILE  119  12.15 +/- 2.74   4.866% *  2.1029% (0.84   0.02   0.02) =   0.644%  kept
          HG3   LYS+  74 - HN    ILE  119  17.95 +/- 3.63   4.035% *  1.8282% (0.73   0.02   0.02) =   0.464%  kept
          QD1   LEU   67 - HN    CYS   21  10.74 +/- 2.08   8.293% *  0.7344% (0.29   0.02   0.02) =   0.383%  kept
          QD2   LEU   71 - HN    ILE  119  14.89 +/- 4.32   8.045% *  0.6278% (0.25   0.02   0.02) =   0.318%  kept
          HB    VAL   75 - HN    ILE  119  14.69 +/- 1.69   2.018% *  1.9241% (0.76   0.02   0.02) =   0.244%  kept
          QD2   LEU   40 - HN    CYS   21  12.44 +/- 1.87   4.511% *  0.7526% (0.30   0.02   0.02) =   0.214%  kept
          QG2   ILE  103 - HN    CYS   21  15.68 +/- 3.03   2.950% *  0.6645% (0.26   0.02   0.02) =   0.123%  kept
          QD2   LEU   71 - HN    CYS   21   9.69 +/- 1.33   7.691% *  0.1984% (0.08   0.02   0.02) =   0.096%
          QD1   ILE  103 - HN    ILE  119  14.28 +/- 2.28   2.295% *  0.4409% (0.18   0.02   0.02) =   0.064%
          QD1   ILE  103 - HN    CYS   21  14.99 +/- 3.36   5.564% *  0.1393% (0.06   0.02   0.02) =   0.049%
    Distance limit 3.61 A violated in 13 structures by 1.78 A, kept.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.97, residual support = 60.3:
          QG2   THR  118 - HN    ILE  119   3.42 +/- 0.37  95.443% * 99.9095% (0.57   6.97  60.30) =  99.996%  kept
          QG2   THR  118 - HN    CYS   21  15.66 +/- 3.73   4.557% *  0.0905% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.40 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 = 0.774, support = 3.82, residual support = 44.9:
          QB    ALA  120 - HN    ILE  119   4.20 +/- 0.11  30.689% * 66.9979% (0.80   4.38  52.60) =  82.572%  kept
          HG    LEU  115 - HN    ILE  119   5.95 +/- 1.04  14.273% * 10.4262% (0.80   0.68   7.18) =   5.976%  kept
          HB3   LEU  115 - HN    ILE  119   6.43 +/- 0.85  10.287% * 14.4499% (0.95   0.80   7.18) =   5.970%  kept
          HG    LEU   73 - HN    CYS   21   5.39 +/- 2.34  22.836% *  5.8281% (0.15   1.99  10.66) =   5.345%  kept
          HG    LEU   67 - HN    ILE  119  14.01 +/- 4.60   2.687% *  0.3783% (0.99   0.02   0.02) =   0.041%
          HG    LEU   40 - HN    ILE  119  14.70 +/- 3.25   1.459% *  0.3610% (0.95   0.02   0.02) =   0.021%
          HB3   LEU  115 - HN    CYS   21  19.89 +/- 4.13   2.624% *  0.1141% (0.30   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    ILE  119  18.40 +/- 3.64   1.368% *  0.1858% (0.49   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    ILE  119  12.21 +/- 2.92   1.890% *  0.1178% (0.31   0.02   0.02) =   0.009%
          HG    LEU   67 - HN    CYS   21  14.01 +/- 2.82   1.753% *  0.1195% (0.31   0.02   0.02) =   0.008%
          HB3   LEU   40 - HN    ILE  119  16.52 +/- 3.43   0.917% *  0.2161% (0.57   0.02   0.02) =   0.008%
          QB    ALA  120 - HN    CYS   21  19.76 +/- 4.07   1.358% *  0.0966% (0.25   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    CYS   21  13.89 +/- 1.88   1.049% *  0.1141% (0.30   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE  119  14.12 +/- 4.24   1.779% *  0.0668% (0.18   0.02   0.02) =   0.005%
          HG    LEU  115 - HN    CYS   21  19.26 +/- 3.49   1.079% *  0.0966% (0.25   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  21.61 +/- 3.91   0.288% *  0.2315% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    CYS   21  14.93 +/- 2.25   0.912% *  0.0683% (0.18   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    CYS   21  14.45 +/- 2.25   1.107% *  0.0372% (0.10   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    CYS   21  21.42 +/- 3.39   0.499% *  0.0731% (0.19   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  13.38 +/- 1.75   1.147% *  0.0211% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.995, support = 1.16, residual support = 1.4:
          QG2   VAL   75 - HN    CYS   21   7.09 +/- 2.49  50.457% * 97.3951% (1.00   1.17   1.41) =  99.091%  kept
          QG2   VAL   42 - HN    CYS   21  10.85 +/- 1.78  18.630% *  1.5794% (0.95   0.02   0.02) =   0.593%  kept
          QG2   VAL   42 - HN    ILE  119  10.04 +/- 2.29  22.830% *  0.4991% (0.30   0.02   0.02) =   0.230%  kept
          QG2   VAL   75 - HN    ILE  119  12.98 +/- 1.22   8.083% *  0.5264% (0.32   0.02   0.02) =   0.086%
    Distance limit 4.53 A violated in 14 structures by 1.78 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   2.12 +/- 0.15  97.708% * 99.6430% (0.84  10.0   3.73  15.22) =  99.998%  kept
          QG2   VAL  107 - HN    ALA   20  17.24 +/- 3.06   0.824% *  0.1070% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ALA   20  22.60 +/- 4.53   0.295% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.41 +/- 3.92   0.449% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.31 +/- 1.08   0.474% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.08 +/- 3.58   0.250% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 3.65, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   2.77 +/- 0.65  98.938% * 99.7525% (0.99   3.65  25.52) =  99.997%  kept
          QD1   LEU   98 - HN    ALA   20  14.36 +/- 2.90   1.062% *  0.2475% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 5.86, residual support = 167.9:
      O   HB    ILE   19 - HN    ILE   19   2.56 +/- 0.33  82.296% * 94.5826% (0.97  10.0   5.88 168.63) =  99.554%  kept
          HB2   GLN   17 - HN    ILE   19   6.29 +/- 0.51   6.948% *  4.9222% (0.73   1.0   1.38   0.02) =   0.437%  kept
          QB    GLU-  15 - HN    ILE   19   8.18 +/- 1.20   4.110% *  0.0712% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    ILE   19  12.57 +/- 3.23   3.761% *  0.0334% (0.34   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    ILE   19  13.40 +/- 3.09   1.143% *  0.0905% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ILE   19  14.23 +/- 1.33   0.672% *  0.0879% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  20.85 +/- 2.97   0.301% *  0.0971% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  19.76 +/- 3.27   0.387% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  19.08 +/- 2.34   0.277% *  0.0272% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  25.48 +/- 2.81   0.106% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.729, support = 5.58, residual support = 139.5:
          HG12  ILE   19 - HN    ILE   19   3.32 +/- 0.94  47.013% * 62.4981% (0.73   6.20 168.63) =  82.109%  kept
          HG    LEU   73 - HN    ILE   19   6.25 +/- 3.42  18.334% * 31.7548% (0.80   2.86   5.40) =  16.270%  kept
          HB3   LYS+  74 - HN    ILE   19   6.72 +/- 2.98  13.804% *  3.9200% (0.18   1.61   8.40) =   1.512%  kept
          QB    ALA   61 - HN    ILE   19   9.83 +/- 2.47   6.050% *  0.2679% (0.97   0.02   0.02) =   0.045%
          HB3   LEU   67 - HN    ILE   19   9.65 +/- 2.57   3.172% *  0.2776% (1.00   0.02   0.02) =   0.025%
          QG    LYS+  66 - HN    ILE   19  11.74 +/- 1.58   1.611% *  0.2626% (0.95   0.02   0.02) =   0.012%
          HG    LEU   80 - HN    ILE   19  17.26 +/- 6.10   1.083% *  0.2319% (0.84   0.02   0.02) =   0.007%
          HG    LEU   67 - HN    ILE   19  10.21 +/- 2.83   2.955% *  0.0618% (0.22   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ILE   19  10.37 +/- 1.59   2.039% *  0.0857% (0.31   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    ILE   19  18.34 +/- 5.21   1.738% *  0.0549% (0.20   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    ILE   19  19.39 +/- 3.33   0.840% *  0.0857% (0.31   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE   19  16.86 +/- 4.77   0.782% *  0.0857% (0.31   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE   19  21.54 +/- 2.84   0.288% *  0.2223% (0.80   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE   19  20.62 +/- 2.86   0.291% *  0.1907% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.89 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 = 0.966, support = 5.68, residual support = 162.3:
          HG13  ILE   19 - HN    ILE   19   3.11 +/- 0.82  63.376% * 81.5496% (0.97   5.89 168.63) =  96.130%  kept
          HG    LEU   71 - HN    ILE   19   8.13 +/- 2.63  14.328% *  8.1879% (0.98   0.58   0.64) =   2.182%  kept
          HG2   LYS+  74 - HN    ILE   19   7.96 +/- 2.94   9.730% *  9.1569% (0.99   0.64   8.40) =   1.657%  kept
          QG2   THR   39 - HN    ILE   19   8.70 +/- 2.68   4.839% *  0.1972% (0.69   0.02   0.02) =   0.018%
          HG3   LYS+  99 - HN    ILE   19  15.87 +/- 3.11   0.858% *  0.2864% (1.00   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    ILE   19   8.42 +/- 1.54   4.137% *  0.0389% (0.14   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    ILE   19  19.35 +/- 3.06   0.466% *  0.1972% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ILE   19  16.02 +/- 2.09   0.633% *  0.1180% (0.41   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  18.10 +/- 2.91   0.567% *  0.1077% (0.38   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    ILE   19  16.43 +/- 2.08   0.849% *  0.0716% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  26.43 +/- 2.98   0.219% *  0.0886% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.353, support = 4.64, residual support = 21.7:
          QG1   VAL   18 - HN    ILE   19   3.13 +/- 0.51  78.695% * 69.6993% (0.34   4.83  22.74) =  95.486%  kept
          QD1   LEU   71 - HN    ILE   19   7.19 +/- 1.89  13.040% * 13.6183% (0.69   0.47   0.64) =   3.092%  kept
          QG1   VAL   70 - HN    ILE   19   8.31 +/- 0.92   5.336% * 15.0235% (0.45   0.79   0.14) =   1.395%  kept
          QD1   LEU  123 - HN    ILE   19  16.26 +/- 3.37   1.194% *  0.5812% (0.69   0.02   0.02) =   0.012%
          HB3   LEU  104 - HN    ILE   19  17.63 +/- 3.39   0.750% *  0.8165% (0.97   0.02   0.02) =   0.011%
          QD2   LEU  123 - HN    ILE   19  17.71 +/- 3.70   0.984% *  0.2611% (0.31   0.02   0.02) =   0.004%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.808, support = 4.9, residual support = 72.2:
          QG2   VAL   18 - HN    ILE   19   3.54 +/- 0.77  37.433% * 56.7477% (0.97   4.78  22.74) =  63.010%  kept
          QD1   ILE   19 - HN    ILE   19   3.74 +/- 0.53  30.795% * 37.4723% (0.57   5.38 168.63) =  34.229%  kept
          QD2   LEU   73 - HN    ILE   19   5.26 +/- 2.91  18.422% *  4.9101% (0.22   1.79   5.40) =   2.683%  kept
          QG1   VAL   41 - HN    ILE   19   8.40 +/- 2.55   5.667% *  0.2206% (0.90   0.02   0.02) =   0.037%
          QG1   VAL   43 - HN    ILE   19   9.96 +/- 3.43   3.033% *  0.2438% (0.99   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    ILE   19  12.18 +/- 3.50   1.806% *  0.2206% (0.90   0.02   0.02) =   0.012%
          HG    LEU   31 - HN    ILE   19   9.87 +/- 1.28   2.172% *  0.0839% (0.34   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    ILE   19  14.10 +/- 2.44   0.673% *  0.1011% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.709, support = 4.35, residual support = 23.1:
          HG12  ILE   19 - HN    ALA   20   4.92 +/- 0.48  34.795% * 78.9702% (0.73   4.76  25.52) =  89.405%  kept
          HG    LEU   73 - HN    ALA   20   7.31 +/- 2.46  14.615% * 13.9566% (0.80   0.76   0.02) =   6.637%  kept
          HB3   LYS+  74 - HN    ALA   20   5.87 +/- 2.48  28.251% *  4.0674% (0.18   1.02   6.97) =   3.739%  kept
          QB    ALA   61 - HN    ALA   20  10.86 +/- 2.78   5.223% *  0.4408% (0.97   0.02   0.02) =   0.075%
          HB3   LEU   67 - HN    ALA   20  12.30 +/- 1.58   2.695% *  0.4568% (1.00   0.02   0.02) =   0.040%
          QG    LYS+  66 - HN    ALA   20  13.33 +/- 1.93   2.199% *  0.4321% (0.95   0.02   0.02) =   0.031%
          HG    LEU   80 - HN    ALA   20  16.27 +/- 5.69   2.178% *  0.3815% (0.84   0.02   0.02) =   0.027%
          HG    LEU   67 - HN    ALA   20  12.98 +/- 2.57   3.726% *  0.1017% (0.22   0.02   0.02) =   0.012%
          HG    LEU   40 - HN    ALA   20  13.79 +/- 1.94   1.881% *  0.1410% (0.31   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    ALA   20  15.94 +/- 4.43   1.545% *  0.1410% (0.31   0.02   0.02) =   0.007%
          HB3   LEU  115 - HN    ALA   20  21.01 +/- 4.31   1.364% *  0.1410% (0.31   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    ALA   20  22.60 +/- 3.42   0.603% *  0.3138% (0.69   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ALA   20  22.60 +/- 3.65   0.372% *  0.3658% (0.80   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ALA   20  21.28 +/- 4.85   0.552% *  0.0904% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.615, support = 2.48, residual support = 8.23:
          HG    LEU   73 - HN    CYS   21   5.39 +/- 2.34  21.240% * 38.1873% (0.80   1.99  10.66) =  51.790%  kept
          HB3   LYS+  74 - HN    CYS   21   5.02 +/- 2.27  23.969% * 16.3692% (0.18   3.89   9.98) =  25.053%  kept
          HG12  ILE   19 - HN    CYS   21   6.91 +/- 0.65   8.766% * 38.1987% (0.73   2.19   0.53) =  21.382%  kept
          HB3   LEU  115 - HN    ILE  119   6.43 +/- 0.85   8.467% *  1.8750% (0.10   0.80   7.18) =   1.014%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.53 +/- 0.83   5.365% *  1.0284% (0.06   0.68   7.40) =   0.352%  kept
          HG    LEU   80 - HN    CYS   21  13.77 +/- 6.38   3.627% *  0.4012% (0.84   0.02   0.02) =   0.093%
          QB    ALA   61 - HN    CYS   21  10.95 +/- 1.87   2.229% *  0.4636% (0.97   0.02   0.02) =   0.066%
          HB3   LEU   67 - HN    CYS   21  13.38 +/- 1.75   0.980% *  0.4804% (1.00   0.02   0.02) =   0.030%
          HB3   LEU  115 - HN    CYS   21  19.89 +/- 4.13   3.040% *  0.1483% (0.31   0.02   0.02) =   0.029%
          QB    ALA   61 - HN    ILE  119   9.87 +/- 1.43   2.970% *  0.1465% (0.30   0.02   0.02) =   0.028%
          QG    LYS+  66 - HN    CYS   21  14.45 +/- 2.25   0.843% *  0.4544% (0.95   0.02   0.02) =   0.024%
          HB2   LEU   80 - HN    CYS   21  13.43 +/- 4.98   1.827% *  0.1483% (0.31   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    ILE  119  10.48 +/- 1.42   2.204% *  0.1215% (0.25   0.02   0.02) =   0.017%
          QG    LYS+  66 - HN    ILE  119  12.21 +/- 2.92   1.786% *  0.1436% (0.30   0.02   0.02) =   0.016%
          HB3   LEU   67 - HN    ILE  119  14.12 +/- 4.24   1.537% *  0.1518% (0.32   0.02   0.02) =   0.015%
          QB    ALA  110 - HN    CYS   21  21.19 +/- 3.69   0.491% *  0.3846% (0.80   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    ILE  119  18.40 +/- 3.64   1.456% *  0.1215% (0.25   0.02   0.02) =   0.011%
          HG    LEU   67 - HN    CYS   21  14.01 +/- 2.82   1.547% *  0.1069% (0.22   0.02   0.02) =   0.011%
          HG    LEU   40 - HN    CYS   21  13.89 +/- 1.88   0.995% *  0.1483% (0.31   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    CYS   21  21.42 +/- 3.39   0.413% *  0.3300% (0.69   0.02   0.02) =   0.009%
          HG    LEU   67 - HN    ILE  119  14.01 +/- 4.60   2.006% *  0.0338% (0.07   0.02   0.02) =   0.004%
          HG    LEU   40 - HN    ILE  119  14.70 +/- 3.25   1.360% *  0.0468% (0.10   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    CYS   21  20.95 +/- 5.14   0.647% *  0.0951% (0.20   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    ILE  119  20.39 +/- 3.50   0.451% *  0.1102% (0.23   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ILE  119  23.13 +/- 3.92   0.247% *  0.1268% (0.26   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ILE  119  18.10 +/- 3.52   1.001% *  0.0266% (0.06   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE  119  21.61 +/- 3.91   0.244% *  0.1043% (0.22   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE  119  22.08 +/- 3.46   0.293% *  0.0468% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.15, residual support = 84.6:
      O   QG    GLN   17 - HE21  GLN   17   2.22 +/- 0.24  95.906% * 99.5957% (0.48  10.0   3.15  84.59) =  99.997%  kept
          HB    VAL   70 - HE21  GLN   17  11.36 +/- 2.40   1.812% *  0.0879% (0.43   1.0   0.02   0.02) =   0.002%
          HB2   GLU-  25 - HE21  GLN   17  17.85 +/- 3.58   0.531% *  0.1161% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  17.84 +/- 3.62   0.413% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  16.45 +/- 3.87   1.049% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  20.02 +/- 3.60   0.227% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  28.32 +/- 3.88   0.062% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 5.53, residual support = 50.0:
        T HN    VAL   18 - HN    GLN   17   4.44 +/- 0.04  84.586% * 99.9055% (0.73 10.00   5.54  50.03) =  99.983%  kept
          HN    SER   13 - HN    GLN   17  10.09 +/- 1.58  15.414% *  0.0945% (0.69  1.00   0.02   0.02) =   0.017%
    Distance limit 4.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.53, residual support = 50.0:
        T HN    GLN   17 - HN    VAL   18   4.44 +/- 0.04  90.767% * 99.7850% (0.89 10.00   5.54  50.03) =  99.989%  kept
          HD21  ASN   69 - HN    VAL   18  11.78 +/- 2.66   8.339% *  0.1079% (0.96  1.00   0.02   0.02) =   0.010%
          HN    TRP   87 - HN    VAL   18  21.66 +/- 3.27   0.893% *  0.1071% (0.96  1.00   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.38, residual support = 8.39:
        T HN    LYS+  74 - HN    ILE   19   5.45 +/- 3.59  75.071% * 99.4791% (0.41 10.00   3.38   8.40) =  99.966%  kept
          HN    THR   46 - HN    ILE   19  14.84 +/- 3.92   5.873% *  0.2021% (0.84  1.00   0.02   0.02) =   0.016%
          HN    MET   92 - HN    ILE   19  22.15 +/- 3.31   2.880% *  0.2335% (0.97  1.00   0.02   0.02) =   0.009%
          HN    MET   11 - HN    ILE   19  18.11 +/- 3.56  10.186% *  0.0373% (0.15  1.00   0.02   0.02) =   0.005%
          HN    ASP- 113 - HN    ILE   19  24.29 +/- 3.00   5.991% *  0.0479% (0.20  1.00   0.02   0.02) =   0.004%
    Distance limit 4.55 A violated in 4 structures by 1.34 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.852, support = 2.83, residual support = 2.75:
          HN    THR   26 - HN    VAL   24   4.44 +/- 0.18  69.380% * 94.0229% (0.87   2.88   2.74) =  97.644%  kept
          HN    LEU   80 - HN    VAL   24  12.59 +/- 6.72  28.077% *  5.5923% (0.20   0.75   3.30) =   2.350%  kept
          HN    ALA   34 - HN    VAL   24  14.70 +/- 0.61   1.910% *  0.1020% (0.14   0.02   0.02) =   0.003%
          HN    CYS   53 - HN    VAL   24  22.74 +/- 2.82   0.632% *  0.2828% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.69 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 = 0.972, support = 4.32, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   3.95 +/- 0.37  74.658% * 88.8897% (0.98   4.38  25.78) =  98.444%  kept
          HD2   HIS   22 - HN    VAL   24   8.41 +/- 1.13   9.890% *  6.2621% (0.22   1.36   0.02) =   0.919%  kept
          HE3   TRP   27 - HN    VAL   24   7.96 +/- 0.59  11.374% *  3.6655% (0.76   0.23  26.13) =   0.618%  kept
          QE    PHE   95 - HN    VAL   24  16.96 +/- 2.72   1.344% *  0.4107% (0.99   0.02   0.02) =   0.008%
          HN    LEU   67 - HN    VAL   24  19.47 +/- 2.98   1.236% *  0.2846% (0.69   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    VAL   24  23.57 +/- 4.16   0.825% *  0.3461% (0.84   0.02   0.02) =   0.004%
          HD1   TRP   49 - HN    VAL   24  20.73 +/- 3.13   0.674% *  0.1413% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 5.61:
          HE1   TRP   87 - HE1   TRP   27  11.23 +/- 7.79 100.000% *100.0000% (0.53   0.75   5.61) = 100.000%  kept
    Distance limit 4.13 A violated in 12 structures by 7.48 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.78, residual support = 21.2:
        T HN    ALA   34 - HN    ASN   35   2.72 +/- 0.09  86.691% * 97.1625% (0.98 10.00   4.79  21.27) =  99.719%  kept
          HN    GLN   32 - HN    ASN   35   5.18 +/- 0.36  12.870% *  1.8308% (0.53  1.00   0.70   3.15) =   0.279%  kept
        T HN    LEU   80 - HN    ASN   35  23.65 +/- 4.74   0.193% *  0.9150% (0.92 10.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    ASN   35  28.76 +/- 3.07   0.092% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  25.38 +/- 5.13   0.153% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.46, residual support = 18.9:
        T HN    SER   37 - HN    GLU-  36   2.56 +/- 0.16  99.286% * 99.7690% (0.98 10.00   4.46  18.89) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.22 +/- 1.41   0.440% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.69 +/- 3.02   0.151% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  25.25 +/- 3.05   0.123% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.33, residual support = 23.8:
        T HN    LYS+  38 - HN    THR   39   2.77 +/- 0.15  96.883% * 99.8693% (1.00 10.00   5.33  23.80) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.81 +/- 0.99   2.546% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ARG+  54 - HN    THR   39  27.59 +/- 3.79   0.198% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  18.91 +/- 2.09   0.373% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.763, support = 3.99, residual support = 16.0:
          HN    MET   96 - HN    VAL   43   3.85 +/- 1.72  80.283% * 99.2946% (0.76   4.00  16.01) =  99.826%  kept
          HN    PHE   72 - HN    VAL   43   8.48 +/- 1.98  19.717% *  0.7054% (0.22   0.10   0.02) =   0.174%  kept
    Distance limit 3.87 A violated in 1 structures by 0.37 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 2.13, residual support = 1.18:
          HN    LEU   73 - HN    ASP-  44   6.40 +/- 2.69  46.855% * 59.4436% (0.38   2.47   1.48) =  59.265%  kept
          HN    VAL   42 - HN    ASP-  44   5.83 +/- 0.54  48.592% * 39.2772% (0.38   1.63   0.74) =  40.611%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.91 +/- 1.37   4.553% *  1.2792% (1.00   0.02   0.02) =   0.124%  kept
    Distance limit 4.33 A violated in 0 structures by 0.70 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.76, residual support = 35.6:
          HN    VAL   42 - HN    VAL   43   4.22 +/- 0.18  66.595% * 78.0446% (0.38   6.19  38.87) =  90.464%  kept
          HN    LEU   73 - HN    VAL   43   7.22 +/- 2.62  25.491% * 21.2850% (0.38   1.69   4.69) =   9.444%  kept
          HN    LYS+ 106 - HN    VAL   43  10.01 +/- 2.01   7.913% *  0.6705% (1.00   0.02   0.02) =   0.092%
    Distance limit 4.35 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 = 0.807, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   9.26 +/- 1.78  48.642% * 15.3753% (0.65   0.02   0.02) =  40.472%  kept
          HN    ALA   84 - HN    ASP-  44  12.80 +/- 2.14  20.115% * 23.7147% (1.00   0.02   0.02) =  25.814%  kept
          HN    ILE   56 - HN    ASP-  44  14.36 +/- 1.89  16.832% * 18.1638% (0.76   0.02   0.02) =  16.545%  kept
          HN    LYS+ 111 - HN    ASP-  44  17.18 +/- 1.88   9.183% * 23.7147% (1.00   0.02   0.02) =  11.785%  kept
          HE21  GLN   32 - HN    ASP-  44  19.89 +/- 1.99   5.228% * 19.0315% (0.80   0.02   0.02) =   5.384%  kept
    Distance limit 4.32 A violated in 20 structures by 4.37 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.632, support = 0.538, residual support = 1.14:
          QD    PHE   60 - HN    ASP-  44   7.30 +/- 3.40  44.476% * 31.6283% (0.41   0.75   2.18) =  51.896%  kept
          HN    LYS+  66 - HN    ASP-  44  10.28 +/- 2.18  26.634% * 32.3467% (0.90   0.35   0.02) =  31.783%  kept
          QE    PHE   59 - HN    ASP-  44   9.86 +/- 2.31  16.714% * 18.6738% (0.92   0.20   0.02) =  11.514%  kept
          HN    PHE   59 - HN    ASP-  44  12.50 +/- 1.86   7.563% * 17.0347% (0.57   0.29   0.02) =   4.753%  kept
          HN    LYS+  81 - HN    ASP-  44  14.91 +/- 2.52   4.613% *  0.3165% (0.15   0.02   0.02) =   0.054%
    Distance limit 4.62 A violated in 9 structures by 1.47 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.719, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.07 +/- 2.22  42.414% * 36.0114% (0.77   0.02   0.02) =  46.004%  kept
          HN    GLN   17 - HN    ASP-  62  15.03 +/- 2.63  37.554% * 29.1578% (0.63   0.02   0.02) =  32.980%  kept
          HN    TRP   87 - HN    ASP-  62  19.02 +/- 2.25  20.032% * 34.8308% (0.75   0.02   0.02) =  21.015%  kept
    Distance limit 3.49 A violated in 20 structures by 8.47 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.8, residual support = 42.0:
        T HN    LEU   63 - HN    ASP-  62   2.60 +/- 0.15  96.283% * 73.3830% (0.32 10.00   5.85  42.40) =  98.983%  kept
        T HN    ILE   56 - HN    ASP-  62   9.19 +/- 1.13   2.776% * 26.0862% (0.42 10.00   0.55   0.02) =   1.015%  kept
          HN    LYS+ 111 - HN    ASP-  62  16.57 +/- 1.66   0.424% *  0.1696% (0.75  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  18.73 +/- 2.33   0.326% *  0.1696% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  24.67 +/- 3.46   0.191% *  0.1917% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.932, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73  10.09 +/- 2.01  89.442% * 48.0011% (0.92   0.02   0.02) =  88.662%  kept
          HN    ALA  110 - HN    LEU   73  21.61 +/- 3.58  10.558% * 51.9989% (1.00   0.02   0.02) =  11.338%  kept
    Distance limit 4.08 A violated in 20 structures by 5.99 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.479, support = 3.7, residual support = 16.7:
          HN    VAL   75 - HN    ASP-  76   4.38 +/- 0.11  62.010% * 40.8152% (0.28   4.64  26.51) =  55.103%  kept
          HN    ASP-  78 - HN    ASP-  76   5.38 +/- 0.42  35.103% * 58.7249% (0.73   2.55   4.61) =  44.880%  kept
          HN    LYS+ 112 - HN    ASP-  76  19.00 +/- 3.72   2.279% *  0.2838% (0.45   0.02   0.02) =   0.014%
          HN    MET   11 - HN    ASP-  76  25.74 +/- 4.89   0.608% *  0.1760% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.69 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 = 0.866, support = 5.32, residual support = 28.7:
        T HN    LYS+ 111 - HN    LYS+ 112   4.39 +/- 0.17  83.875% * 97.6939% (0.87 10.00   5.34  28.73) =  99.739%  kept
          HN    ILE   56 - HN    LYS+ 112  10.51 +/- 3.28  10.225% *  2.0558% (0.49  1.00   0.75   5.24) =   0.256%  kept
          HN    ALA   84 - HN    LYS+ 112  19.58 +/- 4.46   3.165% *  0.0977% (0.87  1.00   0.02   0.02) =   0.004%
          HN    LEU   63 - HN    LYS+ 112  15.07 +/- 1.89   2.499% *  0.0423% (0.38  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  33.13 +/- 3.36   0.235% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.588, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HN    GLN  116  10.68 +/- 2.45  23.620% * 26.8436% (0.65   0.02   0.02) =  34.079%  kept
          QD    PHE   55 - HN    GLN  116   7.93 +/- 3.27  46.604% * 11.5373% (0.28   0.02   0.02) =  28.900%  kept
          HN    LYS+  81 - HN    GLN  116  22.28 +/- 4.76  13.174% * 39.2529% (0.95   0.02   0.02) =  27.795%  kept
          HN    LYS+  66 - HN    GLN  116  15.14 +/- 2.24  10.659% *  8.2119% (0.20   0.02   0.02) =   4.705%  kept
          HE3   TRP   27 - HN    GLN  116  20.99 +/- 2.61   5.942% * 14.1544% (0.34   0.02   0.02) =   4.521%  kept
    Distance limit 4.40 A violated in 16 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 6.02, residual support = 47.0:
      O   HA    ILE  119 - HN    ALA  120   3.59 +/- 0.02  57.035% * 84.5743% (0.80  10.0   6.23  52.60) =  89.341%  kept
          HA    THR  118 - HN    ALA  120   4.17 +/- 0.36  37.877% * 15.1890% (0.67   1.0   4.29   0.44) =  10.656%  kept
          HD3   PRO   58 - HN    ALA  120  11.30 +/- 1.74   2.445% *  0.0193% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  22.64 +/- 3.64   0.572% *  0.0781% (0.74   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  14.53 +/- 2.15   1.107% *  0.0401% (0.38   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    ALA  120  21.20 +/- 2.71   0.471% *  0.0591% (0.56   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  120  18.74 +/- 2.27   0.494% *  0.0401% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.92, support = 0.985, residual support = 5.22:
          HA    SER  117 - HN    ALA  120   3.61 +/- 0.32  93.680% * 96.3242% (0.92   0.99   5.23) =  99.935%  kept
          HA    ASP-  62 - HN    ALA  120  12.23 +/- 1.32   2.755% *  1.0305% (0.49   0.02   0.02) =   0.031%
          HA    ALA   57 - HN    ALA  120  13.08 +/- 1.22   2.221% *  0.8053% (0.38   0.02   0.02) =   0.020%
          HB    THR   26 - HN    ALA  120  25.78 +/- 4.61   0.676% *  1.4969% (0.71   0.02   0.02) =   0.011%
          HA1   GLY   51 - HN    ALA  120  20.37 +/- 3.10   0.667% *  0.3430% (0.16   0.02   0.02) =   0.003%
    Distance limit 4.11 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 = 4.16, residual support = 111.9:
      O   HG3   GLN  116 - HE21  GLN  116   3.41 +/- 0.50  98.372% * 99.8198% (0.69  10.0   4.16 111.91) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  20.17 +/- 2.41   0.659% *  0.0881% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   MET   96 - HE21  GLN  116  18.28 +/- 2.03   0.801% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  30.38 +/- 3.97   0.167% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 0.676, support = 3.48, residual support = 86.0:
          HB3   LEU  115 - HE21  GLN  116   7.88 +/- 1.25  15.199% * 60.6952% (0.95   3.62  99.60) =  49.677%  kept
          HG    LEU  115 - HE21  GLN  116   7.30 +/- 1.58  21.900% * 31.1010% (0.41   4.27  99.60) =  36.677%  kept
          QB    ALA  120 - HE21  GLN  116   5.45 +/- 1.56  40.443% *  6.1691% (0.41   0.85   0.19) =  13.435%  kept
          QG    LYS+  66 - HE21  GLN  116  13.11 +/- 3.71   4.826% *  0.2436% (0.69   0.02   0.02) =   0.063%
          QB    ALA   61 - HE21  GLN  116  10.90 +/- 1.64   5.344% *  0.1210% (0.34   0.02   0.02) =   0.035%
          HG    LEU   67 - HE21  GLN  116  16.61 +/- 4.38   1.997% *  0.3076% (0.87   0.02   0.02) =   0.033%
          HG    LEU   73 - HE21  GLN  116  21.08 +/- 3.67   1.134% *  0.3076% (0.87   0.02   0.02) =   0.019%
          HG    LEU   40 - HE21  GLN  116  18.42 +/- 2.96   0.976% *  0.3355% (0.95   0.02   0.02) =   0.018%
          HB3   LEU   67 - HE21  GLN  116  16.56 +/- 4.18   1.795% *  0.1726% (0.49   0.02   0.02) =   0.017%
          QB    ALA  110 - HE21  GLN  116  11.08 +/- 1.70   4.528% *  0.0621% (0.18   0.02   0.02) =   0.015%
          HG2   LYS+ 102 - HE21  GLN  116  25.61 +/- 2.41   0.317% *  0.3355% (0.95   0.02   0.02) =   0.006%
          HB3   LEU   40 - HE21  GLN  116  20.26 +/- 3.29   0.761% *  0.0790% (0.22   0.02   0.02) =   0.003%
          HG    LEU   80 - HE21  GLN  116  24.70 +/- 4.73   0.779% *  0.0702% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.509, support = 1.42, residual support = 0.847:
          QB    GLU- 114 - HN    SER  117   4.67 +/- 0.30  46.268% * 64.3743% (0.61   1.36   0.98) =  75.344%  kept
          HB    ILE  119 - HN    SER  117   5.06 +/- 0.50  37.694% * 25.2823% (0.20   1.64   0.44) =  24.107%  kept
          HB2   LYS+ 111 - HN    SER  117   8.50 +/- 1.45  10.192% *  1.5586% (1.00   0.02   0.02) =   0.402%  kept
          HB3   GLU-  25 - HN    SER  117  29.23 +/- 5.28   0.923% *  1.4419% (0.92   0.02   0.02) =   0.034%
          HB3   PRO   68 - HN    SER  117  19.76 +/- 3.24   0.813% *  1.3047% (0.84   0.02   0.02) =   0.027%
          HG2   PRO   68 - HN    SER  117  18.58 +/- 3.79   1.115% *  0.7003% (0.45   0.02   0.02) =   0.020%
          HB2   GLN   17 - HN    SER  117  23.68 +/- 3.06   0.454% *  1.5586% (1.00   0.02   0.02) =   0.018%
          QB    GLU-  15 - HN    SER  117  24.21 +/- 3.02   0.435% *  1.5586% (1.00   0.02   0.02) =   0.017%
          HB    ILE   19 - HN    SER  117  22.54 +/- 3.43   0.763% *  0.8218% (0.53   0.02   0.02) =   0.016%
          HG3   GLN   30 - HN    SER  117  23.57 +/- 3.11   0.503% *  0.7003% (0.45   0.02   0.02) =   0.009%
          HB2   GLN   30 - HN    SER  117  23.25 +/- 2.86   0.492% *  0.3091% (0.20   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    SER  117  24.48 +/- 2.42   0.348% *  0.3895% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.871, support = 2.48, residual support = 2.8:
          HG    LEU  115 - HN    SER  117   5.52 +/- 0.73  30.300% * 40.8817% (0.84   2.90   2.29) =  41.440%  kept
          HB3   LEU  115 - HN    SER  117   5.42 +/- 0.40  30.038% * 40.8044% (0.92   2.62   2.29) =  41.004%  kept
          QB    ALA  120 - HN    SER  117   5.37 +/- 0.48  30.817% * 16.9769% (0.84   1.20   5.23) =  17.502%  kept
          HG    LEU   67 - HN    SER  117  17.00 +/- 4.00   1.615% *  0.3312% (0.98   0.02   0.02) =   0.018%
          HG    LEU   40 - HN    SER  117  17.36 +/- 2.55   1.032% *  0.3119% (0.92   0.02   0.02) =   0.011%
          HG    LEU   73 - HN    SER  117  20.35 +/- 4.29   1.424% *  0.1515% (0.45   0.02   0.02) =   0.007%
          QG    LYS+  66 - HN    SER  117  14.65 +/- 2.66   2.117% *  0.0940% (0.28   0.02   0.02) =   0.007%
          HB3   LEU   40 - HN    SER  117  19.17 +/- 2.78   0.780% *  0.2050% (0.61   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    SER  117  22.58 +/- 2.51   0.436% *  0.1913% (0.57   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    SER  117  17.09 +/- 3.66   1.442% *  0.0521% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.76 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 = 0.982, support = 2.97, residual support = 15.1:
          HB2   PHE   97 - HN    LEU  104   3.25 +/- 0.76  66.279% * 72.9050% (1.00   3.12  15.98) =  93.720%  kept
          QE    LYS+ 106 - HN    LEU  104   6.28 +/- 0.97  16.568% * 14.8267% (0.76   0.83   0.02) =   4.764%  kept
          QE    LYS+  99 - HN    LEU  104   7.18 +/- 0.98   9.924% *  3.9726% (0.38   0.45  18.65) =   0.765%  kept
          HB3   TRP   27 - HN    LEU  104  16.14 +/- 4.28   4.822% *  7.9482% (0.99   0.34   0.73) =   0.743%  kept
          HB3   PHE   60 - HN    LEU  104  16.40 +/- 2.80   0.930% *  0.2655% (0.57   0.02   0.02) =   0.005%
          QE    LYS+  38 - HN    LEU  104  14.17 +/- 3.19   1.478% *  0.0821% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.73 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 = 0.934, support = 5.37, residual support = 36.2:
          HG12  ILE  103 - HN    LEU  104   3.97 +/- 0.46  60.991% * 83.1100% (0.97   5.60  38.63) =  93.547%  kept
          QB    LYS+ 102 - HN    LEU  104   5.74 +/- 0.39  22.471% * 15.3770% (0.49   2.05   0.32) =   6.377%  kept
          HB    VAL   41 - HN    LEU  104   9.40 +/- 3.09   7.440% *  0.3077% (1.00   0.02   0.02) =   0.042%
          QB    LYS+  66 - HN    LEU  104  16.66 +/- 3.64   2.930% *  0.2911% (0.95   0.02   0.02) =   0.016%
          HB2   LEU   71 - HN    LEU  104  14.25 +/- 4.44   2.551% *  0.1050% (0.34   0.02   0.02) =   0.005%
          HG    LEU  123 - HN    LEU  104  18.27 +/- 4.72   0.963% *  0.2352% (0.76   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    LEU  104  17.49 +/- 1.36   0.982% *  0.2234% (0.73   0.02   0.02) =   0.004%
          QB    LYS+  65 - HN    LEU  104  16.28 +/- 2.66   1.192% *  0.1155% (0.38   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    LEU  104  22.79 +/- 3.02   0.480% *  0.2352% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.605, support = 2.21, residual support = 31.8:
          QB    LEU   98 - HN    ILE  103   4.26 +/- 0.84  78.940% * 90.8936% (0.61   2.22  31.91) =  99.717%  kept
          HD3   LYS+ 121 - HN    ILE  103  15.43 +/- 6.69   5.481% *  1.2109% (0.90   0.02   0.02) =   0.092%
          QB    ALA   61 - HN    ILE  103  16.45 +/- 3.26   3.487% *  0.7644% (0.57   0.02   0.02) =   0.037%
          HG12  ILE   19 - HN    ILE  103  19.16 +/- 4.28   2.118% *  1.1712% (0.87   0.02   0.02) =   0.034%
          QB    ALA  110 - HN    ILE  103  17.18 +/- 1.74   1.855% *  1.0811% (0.80   0.02   0.02) =   0.028%
          HB2   LEU   80 - HN    ILE  103  20.05 +/- 5.17   1.515% *  1.3234% (0.98   0.02   0.02) =   0.028%
          HB3   LYS+  74 - HN    ILE  103  19.28 +/- 2.98   1.334% *  1.1712% (0.87   0.02   0.02) =   0.022%
          HG    LEU   80 - HN    ILE  103  20.90 +/- 5.66   1.237% *  1.0318% (0.76   0.02   0.02) =   0.018%
          QG    LYS+  66 - HN    ILE  103  19.85 +/- 2.92   2.040% *  0.3367% (0.25   0.02   0.02) =   0.010%
          HB3   LEU   67 - HN    ILE  103  18.61 +/- 3.02   1.181% *  0.5551% (0.41   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    ILE  103  23.66 +/- 4.15   0.811% *  0.4606% (0.34   0.02   0.02) =   0.005%
    Distance limit 4.45 A violated in 2 structures by 0.25 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.788, support = 5.27, residual support = 36.6:
          QD2   LEU  104 - HN    ILE  103   4.96 +/- 1.00  30.686% * 79.5017% (1.00   5.61  38.63) =  69.354%  kept
          QD1   LEU   98 - HN    ILE  103   3.59 +/- 0.88  54.602% * 19.7162% (0.31   4.50  31.91) =  30.604%  kept
          QG1   VAL   43 - HN    ILE  103   8.64 +/- 1.58   6.636% *  0.0968% (0.34   0.02   0.02) =   0.018%
          QG1   VAL   41 - HN    ILE  103   8.94 +/- 2.86   5.728% *  0.0561% (0.20   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    ILE  103  16.35 +/- 3.20   0.979% *  0.2738% (0.97   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    ILE  103  16.55 +/- 2.70   0.758% *  0.1606% (0.57   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    ILE  103  16.69 +/- 2.03   0.611% *  0.1949% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.65 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 = 0.41, support = 6.87, residual support = 214.6:
          QD1   LEU  104 - HN    LEU  104   3.67 +/- 0.65  62.602% * 97.1255% (0.41   6.88 215.12) =  99.759%  kept
          QD2   LEU   63 - HN    LEU  104  11.82 +/- 3.77  11.570% *  0.4984% (0.73   0.02   0.02) =   0.095%
          QD1   LEU   63 - HN    LEU  104  12.39 +/- 3.51   4.500% *  0.6624% (0.97   0.02   0.02) =   0.049%
          QD1   LEU   73 - HN    LEU  104  12.69 +/- 3.18   4.083% *  0.6624% (0.97   0.02   0.02) =   0.044%
          QG2   VAL   41 - HN    LEU  104   8.43 +/- 2.59  14.455% *  0.1358% (0.20   0.02   0.02) =   0.032%
          QD2   LEU  115 - HN    LEU  104  12.78 +/- 1.32   1.823% *  0.4715% (0.69   0.02   0.02) =   0.014%
          QD2   LEU   80 - HN    LEU  104  17.94 +/- 3.58   0.968% *  0.4440% (0.65   0.02   0.02) =   0.007%
    Distance limit 4.67 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 = 0.646, support = 4.62, residual support = 17.5:
          QD1   LEU   98 - HN    ASP- 105   5.46 +/- 1.03  35.099% * 73.5809% (0.95   3.40   6.10) =  61.104%  kept
          QD2   LEU  104 - HN    ASP- 105   3.98 +/- 0.85  62.820% * 26.1601% (0.18   6.53  35.36) =  38.883%  kept
          QG2   ILE   19 - HN    ASP- 105  15.61 +/- 3.07   2.081% *  0.2589% (0.57   0.02   0.02) =   0.013%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.895, support = 4.0, residual support = 134.6:
          HG3   LYS+ 106 - HN    LYS+ 106   3.44 +/- 0.88  60.106% * 95.5240% (0.90   4.01 134.86) =  99.792%  kept
          HB2   LYS+ 112 - HN    LYS+ 106  13.97 +/- 2.98  10.190% *  0.5126% (0.97   0.02   0.02) =   0.091%
          HB    VAL   42 - HN    LYS+ 106  11.39 +/- 2.47   2.755% *  0.5299% (1.00   0.02   0.02) =   0.025%
          QB    LEU   98 - HN    LYS+ 106   8.93 +/- 0.69   5.001% *  0.2183% (0.41   0.02   0.02) =   0.019%
          HG3   LYS+ 102 - HN    LYS+ 106  12.70 +/- 0.96   1.838% *  0.5264% (0.99   0.02   0.02) =   0.017%
          HD3   LYS+ 121 - HN    LYS+ 106  10.76 +/- 5.68   7.732% *  0.0930% (0.18   0.02   0.02) =   0.013%
          HB3   LEU   73 - HN    LYS+ 106  17.45 +/- 3.52   1.162% *  0.5299% (1.00   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    LYS+ 106   9.67 +/- 1.34   4.621% *  0.1182% (0.22   0.02   0.02) =   0.009%
          QB    ALA   84 - HN    LYS+ 106  14.35 +/- 2.83   2.276% *  0.1639% (0.31   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HN    LYS+ 106  18.99 +/- 2.68   0.572% *  0.5299% (1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LYS+ 106  13.45 +/- 1.16   1.568% *  0.1812% (0.34   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LYS+ 106  21.66 +/- 2.92   0.335% *  0.5206% (0.98   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    LYS+ 106  16.72 +/- 4.27   1.028% *  0.0819% (0.15   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+ 106  26.00 +/- 3.64   0.210% *  0.3648% (0.69   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 106  19.10 +/- 2.19   0.606% *  0.1051% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.74 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 = 0.525, support = 2.84, residual support = 26.6:
          QG1   VAL  107 - HN    LYS+ 106   4.98 +/- 0.88  69.147% * 97.0496% (0.53   2.85  26.64) =  99.791%  kept
          HG3   LYS+ 112 - HN    LYS+ 106  14.08 +/- 2.72  12.209% *  0.3996% (0.31   0.02   0.02) =   0.073%
          HG    LEU   63 - HN    LYS+ 106  14.84 +/- 3.15   3.432% *  0.9400% (0.73   0.02   0.02) =   0.048%
          QG2   VAL   24 - HN    LYS+ 106  17.58 +/- 3.68   2.866% *  1.1229% (0.87   0.02   0.02) =   0.048%
          HD3   LYS+ 112 - HN    LYS+ 106  13.98 +/- 2.58   9.631% *  0.1997% (0.15   0.02   0.02) =   0.029%
          QG1   VAL   24 - HN    LYS+ 106  18.63 +/- 4.03   2.715% *  0.2882% (0.22   0.02   0.02) =   0.012%
    Distance limit 4.90 A violated in 1 structures by 0.42 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.1:
          QG1   VAL  108 - HN    VAL  108   3.62 +/- 0.11  94.823% * 99.4334% (0.98   4.52  65.07) =  99.989%  kept
          QD1   LEU   40 - HN    VAL  108  14.42 +/- 2.40   1.998% *  0.2185% (0.49   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    VAL  108  15.70 +/- 3.29   1.656% *  0.2362% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   67 - HN    VAL  108  16.31 +/- 3.01   1.524% *  0.1119% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.47 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 = 0.996, support = 2.84, residual support = 7.66:
          QG2   ILE   89 - HN    ALA   91   3.88 +/- 0.43  69.088% * 97.3498% (1.00   2.84   7.68) =  99.611%  kept
          QG1   VAL   83 - HN    TRP   27  11.79 +/- 5.77  10.364% *  1.2544% (0.07   0.56   0.56) =   0.193%  kept
          QD1   LEU  104 - HN    TRP   27  15.08 +/- 4.46  13.519% *  0.8454% (0.02   1.30   0.73) =   0.169%  kept
          QG1   VAL   83 - HN    ALA   91  10.64 +/- 1.20   4.310% *  0.3602% (0.53   0.02   0.02) =   0.023%
          QG2   ILE   89 - HN    TRP   27  15.22 +/- 3.30   1.687% *  0.0846% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ALA   91  16.94 +/- 1.83   1.033% *  0.1056% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.69 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.452, support = 5.26, residual support = 38.8:
          HG3   LYS+  99 - HN    GLU- 100   3.82 +/- 0.51  42.787% * 94.9615% (0.45   5.31  39.15) =  99.073%  kept
          QG2   THR   39 - HN    GLU- 100   7.76 +/- 4.59  19.973% *  0.7548% (0.95   0.02   0.02) =   0.368%  kept
          QB    ALA   34 - HN    GLU- 100   7.42 +/- 4.27  18.947% *  0.5794% (0.73   0.02   0.02) =   0.268%  kept
          HG3   LYS+  38 - HN    GLU- 100  10.45 +/- 6.91  11.994% *  0.7908% (0.99   0.02   0.02) =   0.231%  kept
          HG    LEU   71 - HN    GLU- 100  12.49 +/- 5.35   2.651% *  0.2995% (0.38   0.02   0.02) =   0.019%
          HG13  ILE   19 - HN    GLU- 100  15.36 +/- 4.51   1.227% *  0.5162% (0.65   0.02   0.02) =   0.015%
          QG2   THR   23 - HN    GLU- 100  17.55 +/- 3.82   1.232% *  0.2995% (0.38   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    GLU- 100  20.60 +/- 2.92   0.454% *  0.7156% (0.90   0.02   0.02) =   0.008%
          QB    ALA   91 - HN    GLU- 100  20.50 +/- 1.95   0.315% *  0.7548% (0.95   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HN    GLU- 100  18.74 +/- 1.58   0.421% *  0.3280% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.564, support = 0.977, residual support = 5.48:
          QB    ALA   84 - HN    LYS+  81   4.46 +/- 0.24  70.043% * 76.0628% (0.57   0.98   5.52) =  99.242%  kept
          HB2   LYS+ 112 - HN    LYS+  81  21.77 +/- 4.99   2.490% *  2.6764% (0.98   0.02   0.02) =   0.124%  kept
          QB    LEU   98 - HN    LYS+  81  17.80 +/- 4.17  10.448% *  0.5404% (0.20   0.02   0.02) =   0.105%  kept
          HB3   LEU   73 - HN    LYS+  81  15.67 +/- 3.23   2.187% *  2.5205% (0.92   0.02   0.02) =   0.103%  kept
          HG    LEU   98 - HN    LYS+  81  19.41 +/- 4.65   3.691% *  1.2241% (0.45   0.02   0.02) =   0.084%
          HB3   PRO   93 - HN    LYS+  81  15.77 +/- 2.09   2.407% *  1.6561% (0.61   0.02   0.02) =   0.074%
          HG3   LYS+  65 - HN    LYS+  81  18.80 +/- 4.29   1.619% *  2.3685% (0.87   0.02   0.02) =   0.071%
          HG3   LYS+ 106 - HN    LYS+  81  19.96 +/- 3.58   0.961% *  2.7304% (1.00   0.02   0.02) =   0.049%
          HB    VAL   42 - HN    LYS+  81  19.82 +/- 2.40   0.882% *  2.3685% (0.87   0.02   0.02) =   0.039%
          HG3   LYS+ 102 - HN    LYS+  81  25.06 +/- 5.65   0.668% *  2.5829% (0.95   0.02   0.02) =   0.032%
          HG3   LYS+  33 - HN    LYS+  81  24.76 +/- 5.93   0.626% *  2.1864% (0.80   0.02   0.02) =   0.026%
          HB3   ASP-  44 - HN    LYS+  81  15.59 +/- 2.00   1.853% *  0.6079% (0.22   0.02   0.02) =   0.021%
          QB    ALA  124 - HN    LYS+  81  26.75 +/- 4.22   0.714% *  0.9314% (0.34   0.02   0.02) =   0.012%
          QB    ALA   12 - HN    LYS+  81  25.35 +/- 4.11   0.490% *  1.1225% (0.41   0.02   0.02) =   0.010%
          HB2   LEU   63 - HN    LYS+  81  19.88 +/- 2.21   0.921% *  0.4213% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.26 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.82, residual support = 213.6:
          QD1   ILE   89 - HN    ILE   89   3.08 +/- 0.83  77.549% * 94.8160% (0.92   5.90 216.60) =  98.621%  kept
          QG2   VAL   83 - HN    ILE   89   5.90 +/- 0.82  20.701% *  4.9446% (1.00   0.28   0.02) =   1.373%  kept
          QD2   LEU   31 - HN    ILE   89  14.63 +/- 3.69   1.750% *  0.2394% (0.69   0.02   0.02) =   0.006%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.364, support = 4.2, residual support = 10.2:
          QB    ALA   88 - HN    ILE   89   3.21 +/- 0.46  58.576% * 60.6992% (0.34   4.82   9.52) =  78.015%  kept
          QB    ALA   84 - HN    ILE   89   4.57 +/- 1.05  29.737% * 33.4891% (0.45   2.02  12.73) =  21.851%  kept
          HB3   LEU   80 - HN    ILE   89   9.62 +/- 1.26   2.975% *  0.7240% (0.98   0.02   0.02) =   0.047%
          HB3   PRO   93 - HN    ILE   89  10.71 +/- 2.34   4.178% *  0.3037% (0.41   0.02   0.02) =   0.028%
          HB3   ASP-  44 - HN    ILE   89  12.06 +/- 1.57   1.195% *  0.6169% (0.84   0.02   0.02) =   0.016%
          HG    LEU   98 - HN    ILE   89  13.78 +/- 3.78   1.184% *  0.4182% (0.57   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - HN    ILE   89  17.02 +/- 2.86   0.603% *  0.7240% (0.98   0.02   0.02) =   0.010%
          HB2   LEU   31 - HN    ILE   89  19.34 +/- 4.94   0.485% *  0.7370% (1.00   0.02   0.02) =   0.008%
          HB2   LEU   63 - HN    ILE   89  17.34 +/- 1.84   0.451% *  0.6818% (0.92   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HN    ILE   89  20.75 +/- 3.26   0.310% *  0.5914% (0.80   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ILE   89  23.72 +/- 2.45   0.163% *  0.5074% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    ILE   89  25.18 +/- 3.19   0.143% *  0.5074% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.74 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 = 0.637, support = 4.03, residual support = 34.9:
          QB    ALA   91 - HN    GLN   90   4.13 +/- 0.56  49.762% * 61.1753% (0.84   3.04  32.30) =  66.241%  kept
          HG12  ILE   89 - HN    GLN   90   4.31 +/- 0.83  43.099% * 35.9535% (0.25   5.99  40.05) =  33.718%  kept
          HG2   LYS+  74 - HN    GLN   90  15.80 +/- 2.54   0.994% *  0.4445% (0.92   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    GLN   90  13.64 +/- 2.70   1.976% *  0.1807% (0.38   0.02   0.02) =   0.008%
          HG3   LYS+  99 - HN    GLN   90  22.21 +/- 2.81   0.532% *  0.4555% (0.95   0.02   0.02) =   0.005%
          QG2   THR   39 - HN    GLN   90  19.53 +/- 2.01   0.512% *  0.4022% (0.84   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    GLN   90  22.43 +/- 3.20   0.449% *  0.4318% (0.90   0.02   0.02) =   0.004%
          HG13  ILE   19 - HN    GLN   90  22.29 +/- 3.16   0.354% *  0.4815% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HN    GLN   90  14.58 +/- 2.94   1.629% *  0.0953% (0.20   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    GLN   90  18.74 +/- 1.94   0.527% *  0.1072% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    GLN   90  27.52 +/- 2.25   0.167% *  0.2726% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.91 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 = 89.3:
      O   HB2   GLN   90 - HN    GLN   90   3.77 +/- 0.28  94.433% * 99.4917% (0.73  10.0   5.59  89.31) =  99.993%  kept
          HB3   GLU-  79 - HN    GLN   90  12.96 +/- 2.03   3.780% *  0.1343% (0.98   1.0   0.02   0.02) =   0.005%
          QB    GLU-  36 - HN    GLN   90  25.62 +/- 2.26   0.340% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  25.62 +/- 3.30   0.367% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  25.31 +/- 3.53   0.395% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  24.23 +/- 2.86   0.433% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  27.79 +/- 1.95   0.252% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.865, support = 5.5, residual support = 42.8:
          QD2   LEU   73 - HN    PHE   72   4.88 +/- 0.78  29.910% * 98.5633% (0.87   5.52  42.98) =  99.488%  kept
          QG1   VAL   41 - HN    PHE   72   6.77 +/- 1.72  17.043% *  0.3144% (0.76   0.02   0.02) =   0.181%  kept
          QG2   VAL   18 - HN    PHE   72   5.24 +/- 2.71  33.828% *  0.1403% (0.34   0.02   0.94) =   0.160%  kept
          HG    LEU   31 - HN    PHE   72  10.02 +/- 1.84   6.406% *  0.3970% (0.97   0.02   0.02) =   0.086%
          QG1   VAL   43 - HN    PHE   72   8.40 +/- 2.00   7.453% *  0.2329% (0.57   0.02   0.02) =   0.059%
          QD1   ILE   56 - HN    PHE   72  14.05 +/- 2.40   1.639% *  0.2495% (0.61   0.02   0.02) =   0.014%
          QG2   THR   46 - HN    PHE   72  11.36 +/- 2.64   3.720% *  0.1026% (0.25   0.02   0.02) =   0.013%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 46.1:
          QB    ALA   64 - HN    PHE   72   3.90 +/- 0.79  97.679% * 99.9173% (1.00   4.23  46.06) =  99.998%  kept
          QB    ALA   47 - HN    PHE   72  15.52 +/- 1.65   2.321% *  0.0827% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.702, support = 2.67, residual support = 8.28:
          HB    ILE   19 - HN    LYS+  74   5.86 +/- 2.78  47.272% * 91.9426% (0.71   2.70   8.40) =  98.600%  kept
          HB2   GLN   17 - HN    LYS+  74  10.27 +/- 3.15   9.696% *  4.7335% (0.43   0.23   0.02) =   1.041%  kept
          HG2   PRO   68 - HN    LYS+  74  14.48 +/- 2.99   4.765% *  0.6680% (0.69   0.02   0.02) =   0.072%
          QB    GLU- 114 - HN    LYS+  74  19.07 +/- 3.72   4.046% *  0.6800% (0.71   0.02   0.02) =   0.062%
          QB    GLU-  15 - HN    LYS+  74  12.44 +/- 2.43   6.066% *  0.4134% (0.43   0.02   0.02) =   0.057%
          HB3   GLU-  25 - HN    LYS+  74  13.43 +/- 1.74   4.335% *  0.5457% (0.57   0.02   0.02) =   0.054%
          HB2   LEU  115 - HN    LYS+  74  17.51 +/- 3.99   8.784% *  0.2325% (0.24   0.02   0.02) =   0.046%
          HB3   PRO   68 - HN    LYS+  74  13.85 +/- 3.30  11.542% *  0.1699% (0.18   0.02   0.02) =   0.044%
          HG3   PRO   58 - HN    LYS+  74  17.94 +/- 3.05   2.518% *  0.2558% (0.27   0.02   0.02) =   0.015%
          HB2   LYS+ 111 - HN    LYS+  74  23.13 +/- 3.26   0.977% *  0.3586% (0.37   0.02   0.02) =   0.008%
    Distance limit 4.69 A violated in 6 structures by 1.33 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.4, residual support = 41.4:
          QD1   LEU   73 - HN    LYS+  74   4.30 +/- 0.63  63.612% * 97.1173% (0.37   5.41  41.48) =  99.711%  kept
          QD2   LEU   80 - HN    LYS+  74  10.99 +/- 3.39   8.671% *  0.6115% (0.64   0.02   0.02) =   0.086%
          QD2   LEU  115 - HN    LYS+  74  13.89 +/- 3.00   8.035% *  0.5915% (0.61   0.02   0.02) =   0.077%
          QG1   VAL   83 - HN    LYS+  74  11.16 +/- 2.21   4.823% *  0.5211% (0.54   0.02   0.02) =   0.041%
          QD1   LEU   63 - HN    LYS+  74  10.06 +/- 1.55   6.902% *  0.3588% (0.37   0.02   0.02) =   0.040%
          QD1   LEU  104 - HN    LYS+  74  13.69 +/- 2.75   3.448% *  0.6804% (0.71   0.02   0.02) =   0.038%
          QG2   ILE   89 - HN    LYS+  74  11.96 +/- 1.78   4.508% *  0.1194% (0.12   0.02   0.02) =   0.009%
    Distance limit 4.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.354, support = 4.56, residual support = 27.4:
          QG2   THR   77 - HN    ASP-  78   3.73 +/- 0.70  61.750% * 77.7236% (0.34   4.73  28.36) =  95.890%  kept
          HB3   LEU   80 - HN    ASP-  78   7.39 +/- 1.18  12.069% * 16.3649% (0.69   0.49   5.64) =   3.946%  kept
          QB    ALA   84 - HN    ASP-  78   6.58 +/- 0.93  15.579% *  0.1486% (0.15   0.02   0.02) =   0.046%
          HB3   ASP-  44 - HN    ASP-  78  11.30 +/- 2.64   3.640% *  0.4318% (0.45   0.02   0.02) =   0.031%
          QB    ALA   88 - HN    ASP-  78  12.53 +/- 1.51   2.153% *  0.6993% (0.73   0.02   0.02) =   0.030%
          HG2   LYS+ 111 - HN    ASP-  78  20.40 +/- 4.13   0.979% *  0.8637% (0.90   0.02   0.02) =   0.017%
          HB2   LEU   63 - HN    ASP-  78  14.93 +/- 2.09   1.246% *  0.5452% (0.57   0.02   0.02) =   0.014%
          HB2   LEU   31 - HN    ASP-  78  20.49 +/- 3.16   0.543% *  0.8044% (0.84   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    ASP-  78  24.05 +/- 2.45   0.338% *  0.9630% (1.00   0.02   0.02) =   0.006%
          HG    LEU   98 - HN    ASP-  78  17.86 +/- 2.91   1.215% *  0.2144% (0.22   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    ASP-  78  27.12 +/- 1.94   0.180% *  0.9440% (0.98   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ASP-  78  23.77 +/- 3.96   0.309% *  0.2972% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.39 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 = 0.936, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   7.84 +/- 3.09  61.267% * 32.6601% (0.92   0.02   0.02) =  60.472%  kept
          QG1   VAL   42 - HN    ASP-  78  12.41 +/- 0.80  21.270% * 34.6797% (0.98   0.02   0.02) =  22.292%  kept
          HG2   LYS+ 112 - HN    ASP-  78  17.73 +/- 4.79  17.463% * 32.6601% (0.92   0.02   0.02) =  17.236%  kept
    Distance limit 4.63 A violated in 17 structures by 2.80 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.657, support = 4.25, residual support = 24.2:
          HB    THR   77 - HN    ASP-  78   3.87 +/- 0.31  58.849% * 38.0562% (0.45   4.73  28.36) =  55.894%  kept
          HA    GLU-  79 - HN    ASP-  78   4.94 +/- 0.22  29.294% * 60.2341% (0.92   3.64  19.01) =  44.038%  kept
          HA    ALA   57 - HN    ASP-  78  14.59 +/- 5.17   3.020% *  0.3217% (0.90   0.02   0.02) =   0.024%
          HA1   GLY   51 - HN    ASP-  78  15.09 +/- 3.71   1.974% *  0.3580% (1.00   0.02   0.02) =   0.018%
          HA    ASP-  44 - HN    ASP-  78  11.10 +/- 1.92   2.916% *  0.1346% (0.38   0.02   0.02) =   0.010%
          HA    SER   85 - HN    ASP-  78  12.40 +/- 1.17   1.942% *  0.1608% (0.45   0.02   0.02) =   0.008%
          HA    ILE  103 - HN    ASP-  78  19.86 +/- 3.12   0.879% *  0.2031% (0.57   0.02   0.02) =   0.004%
          HA    THR   39 - HN    ASP-  78  23.73 +/- 1.07   0.274% *  0.3462% (0.97   0.02   0.02) =   0.002%
          HA    SER  117 - HN    ASP-  78  21.93 +/- 3.61   0.581% *  0.0628% (0.18   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP-  78  29.07 +/- 5.37   0.271% *  0.1224% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.41 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 = 0.999, support = 4.57, residual support = 39.1:
      O   HA    ASP-  78 - HN    ASP-  78   2.79 +/- 0.05  90.616% * 98.6773% (1.00  10.0   4.57  39.10) =  99.921%  kept
          HA    LEU   80 - HN    ASP-  78   7.13 +/- 0.56   5.764% *  1.1882% (0.49   1.0   0.49   5.64) =   0.077%
          HA    THR   23 - HN    ASP-  78  13.85 +/- 4.08   1.855% *  0.0856% (0.87   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    ASP-  78  15.39 +/- 3.98   1.455% *  0.0337% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HN    ASP-  78  20.76 +/- 2.68   0.310% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.988, support = 8.05, residual support = 198.6:
      O   HA    ILE  119 - HN    ILE  119   2.80 +/- 0.05  59.007% * 50.7779% (1.00  10.0   8.57 267.13) =  66.859%  kept
      O   HA    THR  118 - HN    ILE  119   3.50 +/- 0.05  30.305% * 49.0042% (0.97  10.0   7.02  60.30) =  33.138%  kept
          HA2   GLY  109 - HN    ILE  119  12.82 +/- 2.04   0.857% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    CYS   21   7.49 +/- 3.10   6.295% *  0.0028% (0.06   1.0   0.02   1.41) =   0.000%
          HA    THR  118 - HN    CYS   21  21.06 +/- 4.96   1.041% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  19.16 +/- 2.53   0.344% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.30 +/- 4.23   0.840% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  20.66 +/- 2.82   0.222% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  15.50 +/- 3.15   0.445% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  16.84 +/- 2.37   0.377% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  21.44 +/- 2.49   0.157% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  24.10 +/- 3.12   0.109% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.7, support = 5.39, residual support = 30.3:
          HB2   CYS   53 - HN    ARG+  54   3.33 +/- 0.32  62.035% * 83.2904% (0.72   5.53  31.73) =  95.150%  kept
          HD3   PRO   52 - HN    ARG+  54   5.22 +/- 0.18  17.512% * 14.5070% (0.26   2.65   1.92) =   4.678%  kept
          HD2   PRO   58 - HN    ASP-  62   7.22 +/- 0.91   7.833% *  0.8060% (0.16   0.24   0.02) =   0.116%  kept
          HD2   PRO   58 - HN    ARG+  54   7.86 +/- 1.31   7.080% *  0.3637% (0.87   0.02   0.02) =   0.047%
          HB2   CYS   53 - HN    ASP-  62  10.34 +/- 2.22   2.926% *  0.0563% (0.14   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    ARG+  54  21.12 +/- 4.06   0.436% *  0.3418% (0.82   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ARG+  54  28.75 +/- 2.96   0.106% *  0.3291% (0.79   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  26.25 +/- 2.93   0.153% *  0.1344% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  20.33 +/- 2.36   0.303% *  0.0640% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.56 +/- 3.02   0.281% *  0.0616% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.34 +/- 2.04   0.760% *  0.0205% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.40 +/- 2.62   0.576% *  0.0251% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.903, support = 0.924, residual support = 1.41:
          QG2   VAL   18 - HN    ALA   61   8.67 +/- 3.33  23.895% * 56.0344% (0.95   1.21   2.07) =  67.876%  kept
          QG2   THR   46 - HN    ALA   61   8.37 +/- 3.27  26.028% * 14.9873% (0.87   0.35   0.02) =  19.775%  kept
          QG1   VAL   41 - HN    ALA   61  13.38 +/- 1.81   7.406% * 12.4566% (0.92   0.28   0.02) =   4.677%  kept
          QG1   VAL   43 - HN    ALA   61  10.94 +/- 1.58   9.824% *  6.3187% (1.00   0.13   0.02) =   3.147%  kept
          QD2   LEU   73 - HN    ALA   61  10.17 +/- 1.38  13.414% *  4.3253% (0.25   0.36   0.02) =   2.941%  kept
          QD1   ILE   19 - HN    ALA   61  13.23 +/- 1.73   5.048% *  5.1454% (0.53   0.20   0.02) =   1.317%  kept
          QD2   LEU  104 - HN    ALA   61  14.52 +/- 3.40  11.324% *  0.3662% (0.38   0.02   0.02) =   0.210%  kept
          HG    LEU   31 - HN    ALA   61  17.27 +/- 2.25   3.061% *  0.3662% (0.38   0.02   0.02) =   0.057%
    Distance limit 4.70 A violated in 10 structures by 1.39 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.919, support = 5.62, residual support = 51.6:
          QB    GLU-  36 - HN    ASN   35   4.30 +/- 0.26  68.275% * 96.5955% (0.92   5.65  51.93) =  99.319%  kept
          HB2   LYS+  38 - HN    ASN   35   6.76 +/- 0.54  19.478% *  2.1152% (0.28   0.41   0.02) =   0.620%  kept
          HB3   GLU-  29 - HN    ASN   35   9.14 +/- 0.49   7.233% *  0.3670% (0.99   0.02   0.02) =   0.040%
          HG3   GLU-  29 - HN    ASN   35  11.02 +/- 0.66   4.183% *  0.2689% (0.73   0.02   0.02) =   0.017%
          HB3   GLU-  79 - HN    ASN   35  22.60 +/- 3.77   0.567% *  0.3212% (0.87   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    ASN   35  28.00 +/- 2.66   0.264% *  0.3321% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.91 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 = 47.4:
      O   QB    MET   11 - HN    MET   11   2.85 +/- 0.51  89.082% * 99.3665% (0.69  10.0   3.00  47.37) =  99.993%  kept
          HG3   GLU-  36 - HN    MET   11  17.23 +/- 5.11   3.140% *  0.1255% (0.87   1.0   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    MET   11  21.77 +/- 7.48   2.651% *  0.0286% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11  10.00 +/- 1.11   2.956% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  12.51 +/- 1.38   1.530% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  27.81 +/- 5.84   0.210% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  36.41 +/- 6.41   0.111% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  34.30 +/- 3.96   0.068% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  25.96 +/- 3.89   0.178% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  36.63 +/- 5.60   0.073% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 47.3:
          HG2   MET   11 - HN    MET   11   4.02 +/- 0.58  87.933% * 97.3780% (0.92   3.31  47.37) =  99.943%  kept
          HB2   GLU-  14 - HN    MET   11  10.92 +/- 1.58   5.846% *  0.6026% (0.95   0.02   0.02) =   0.041%
          QB    GLN   32 - HN    MET   11  16.94 +/- 4.89   3.867% *  0.1771% (0.28   0.02   0.02) =   0.008%
          HB2   PRO   68 - HN    MET   11  21.90 +/- 3.88   1.042% *  0.3100% (0.49   0.02   0.02) =   0.004%
          HG2   PRO   58 - HN    MET   11  33.19 +/- 4.24   0.196% *  0.6244% (0.98   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    MET   11  23.65 +/- 6.26   0.765% *  0.1418% (0.22   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    MET   11  37.57 +/- 5.87   0.143% *  0.6244% (0.98   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    MET   11  33.42 +/- 4.57   0.208% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.4:
          HG3   MET   11 - HN    MET   11   3.09 +/- 0.50  94.475% * 98.0249% (0.92   3.31  47.37) =  99.979%  kept
          HB3   GLU-  14 - HN    MET   11  11.05 +/- 1.28   2.965% *  0.4902% (0.76   0.02   0.02) =   0.016%
          HB3   GLN   30 - HN    MET   11  18.97 +/- 4.25   0.821% *  0.2188% (0.34   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    MET   11  21.57 +/- 5.70   0.816% *  0.1269% (0.20   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  29.55 +/- 4.50   0.197% *  0.2875% (0.45   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   11  31.89 +/- 4.32   0.126% *  0.4406% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    MET   11  22.00 +/- 4.07   0.494% *  0.0990% (0.15   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    MET   11  36.34 +/- 5.65   0.106% *  0.3122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.822, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  16.81 +/- 4.66  41.580% * 22.9200% (1.00   0.02   0.02) =  56.890%  kept
          HD3   LYS+  74 - HN    MET   11  23.25 +/- 4.74  21.347% * 12.0587% (0.53   0.02   0.02) =  15.367%  kept
          QG    LYS+  81 - HN    MET   11  30.48 +/- 5.65   7.577% * 19.1444% (0.84   0.02   0.02) =   8.659%  kept
          HG    LEU  104 - HN    MET   11  29.01 +/- 5.33  12.856% *  8.6021% (0.38   0.02   0.02) =   6.602%  kept
          HG2   LYS+ 106 - HN    MET   11  33.43 +/- 4.39   6.309% * 17.5161% (0.76   0.02   0.02) =   6.597%  kept
          HB3   LYS+ 121 - HN    MET   11  33.98 +/- 4.61   6.524% *  8.6021% (0.38   0.02   0.02) =   3.350%  kept
          HB3   LYS+ 111 - HN    MET   11  39.99 +/- 5.20   3.808% * 11.1564% (0.49   0.02   0.02) =   2.536%  kept
    Distance limit 4.41 A violated in 20 structures by 10.83 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.58, residual support = 12.0:
          HG2   MET   11 - HN    ALA   12   4.20 +/- 0.35  74.944% * 97.8385% (0.72   3.58  12.06) =  99.825%  kept
          HB2   GLU-  14 - HN    ALA   12   7.71 +/- 1.64  22.760% *  0.5449% (0.72   0.02   0.02) =   0.169%  kept
          HB2   PRO   68 - HN    ALA   12  19.07 +/- 3.37   1.275% *  0.1518% (0.20   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    ALA   12  30.75 +/- 3.73   0.226% *  0.5353% (0.71   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  35.71 +/- 4.75   0.156% *  0.5353% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  31.38 +/- 3.71   0.230% *  0.2245% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  33.65 +/- 6.65   0.250% *  0.0956% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.02 +/- 3.75   0.159% *  0.0739% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.3:
      O   QB    ALA   12 - HN    ALA   12   2.75 +/- 0.25  96.052% * 99.1918% (0.68  10.0   2.30  12.35) =  99.997%  kept
          HG3   LYS+  33 - HN    ALA   12  14.20 +/- 3.55   1.348% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   12  18.74 +/- 3.99   0.578% *  0.0876% (0.60   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA   12  21.23 +/- 3.86   0.379% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  19.66 +/- 4.18   0.566% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.67 +/- 2.87   0.255% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.22 +/- 3.59   0.257% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  29.88 +/- 4.98   0.097% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  30.60 +/- 3.81   0.083% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.33 +/- 4.93   0.056% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.58 +/- 5.32   0.146% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  29.99 +/- 4.17   0.094% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.16 +/- 3.92   0.089% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.945, support = 1.76, residual support = 5.15:
          QB    ALA   12 - HN    SER   13   2.76 +/- 0.59  93.665% * 91.5357% (0.95   1.76   5.15) =  99.936%  kept
          HG3   LYS+  33 - HN    SER   13  12.80 +/- 3.56   2.543% *  1.0389% (0.95   0.02   0.02) =   0.031%
          HB3   LEU   73 - HN    SER   13  16.93 +/- 3.36   0.924% *  0.9173% (0.84   0.02   0.02) =   0.010%
          HG3   LYS+  65 - HN    SER   13  19.19 +/- 3.58   0.559% *  0.9849% (0.90   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    SER   13  19.55 +/- 2.37   0.390% *  0.9849% (0.90   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    SER   13  17.77 +/- 3.27   0.769% *  0.4924% (0.45   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    SER   13  20.67 +/- 3.34   0.378% *  0.7975% (0.73   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HN    SER   13  28.34 +/- 5.01   0.140% *  0.8794% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    SER   13  28.68 +/- 3.65   0.117% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    SER   13  28.04 +/- 4.63   0.137% *  0.4515% (0.41   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  33.17 +/- 3.88   0.077% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  27.00 +/- 4.43   0.190% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  29.30 +/- 3.02   0.111% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.45, support = 2.45, residual support = 6.6:
          QB    SER   13 - HN    GLU-  14   3.33 +/- 0.61  86.984% * 95.5577% (0.45   2.46   6.61) =  99.854%  kept
          HB3   SER   37 - HN    GLU-  14  11.18 +/- 3.48   7.837% *  1.0038% (0.58   0.02   0.02) =   0.095%
          HB    THR   39 - HN    GLU-  14  12.47 +/- 4.22   4.586% *  0.8255% (0.48   0.02   0.02) =   0.045%
          HB    THR  118 - HN    GLU-  14  26.84 +/- 3.39   0.249% *  1.1991% (0.70   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    GLU-  14  29.20 +/- 2.30   0.172% *  1.0038% (0.58   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    GLU-  14  30.06 +/- 4.04   0.173% *  0.4099% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.77 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 = 0.511, support = 3.65, residual support = 36.8:
          QG    GLU-  14 - HN    GLU-  14   3.68 +/- 0.64  49.242% * 68.1981% (0.53   4.05  45.73) =  79.789%  kept
          QG    GLU-  15 - HN    GLU-  14   4.92 +/- 1.00  29.218% * 28.4902% (0.42   2.13   1.75) =  19.778%  kept
          HB2   GLU-  29 - HN    GLU-  14  14.36 +/- 4.75  12.848% *  1.3269% (0.51   0.08   0.02) =   0.405%  kept
          QB    MET   11 - HN    GLU-  14   7.68 +/- 1.01   6.933% *  0.0872% (0.14   0.02   0.02) =   0.014%
          HB3   PHE   72 - HN    GLU-  14  14.94 +/- 2.13   0.838% *  0.3682% (0.58   0.02   0.02) =   0.007%
          HB2   ASP-  44 - HN    GLU-  14  19.93 +/- 1.75   0.327% *  0.3201% (0.51   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    GLU-  14  25.41 +/- 3.47   0.198% *  0.4369% (0.69   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    GLU-  14  28.40 +/- 3.07   0.121% *  0.3953% (0.62   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  14  31.43 +/- 3.65   0.086% *  0.2673% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  25.88 +/- 3.89   0.189% *  0.1099% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 3.87, residual support = 45.7:
      O   HB2   GLU-  14 - HN    GLU-  14   3.36 +/- 0.48  91.300% * 99.6047% (0.70  10.0   3.87  45.73) =  99.992%  kept
          HG2   MET   11 - HN    GLU-  14   9.17 +/- 1.08   6.015% *  0.0998% (0.70   1.0   0.02   0.02) =   0.007%
          HB2   PRO   68 - HN    GLU-  14  14.78 +/- 3.19   1.681% *  0.0278% (0.19   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU-  14  26.51 +/- 2.97   0.232% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  32.19 +/- 3.18   0.137% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  27.72 +/- 2.35   0.220% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  30.01 +/- 5.09   0.268% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  31.10 +/- 2.98   0.148% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 3.89, residual support = 45.7:
      O   HB3   GLU-  14 - HN    GLU-  14   3.22 +/- 0.45  91.450% * 99.6986% (0.62  10.0   3.89  45.73) =  99.992%  kept
          HG3   MET   11 - HN    GLU-  14   9.60 +/- 1.16   4.557% *  0.0807% (0.51   1.0   0.02   0.02) =   0.004%
          HB2   LEU   40 - HN    GLU-  14  14.91 +/- 3.33   3.479% *  0.0850% (0.53   1.0   0.02   0.02) =   0.003%
          HB3   MET   96 - HN    GLU-  14  23.79 +/- 2.84   0.318% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.92 +/- 5.13   0.195% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 84.6:
          QG    GLN   17 - HN    GLN   17   3.02 +/- 0.70  85.689% * 98.8357% (1.00   5.60  84.59) =  99.955%  kept
          HB    VAL   70 - HN    GLN   17   9.13 +/- 2.55   8.805% *  0.3465% (0.98   0.02   0.02) =   0.036%
          HB2   GLU-  25 - HN    GLN   17  17.35 +/- 2.53   0.838% *  0.3503% (0.99   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    GLN   17  14.18 +/- 2.68   1.655% *  0.0983% (0.28   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    GLN   17  17.89 +/- 3.15   0.635% *  0.2287% (0.65   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    GLN   17  17.53 +/- 5.58   1.514% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  17.39 +/- 3.11   0.863% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.922, support = 5.18, residual support = 80.1:
      O   HB2   GLN   17 - HN    GLN   17   3.37 +/- 0.60  42.775% * 90.2370% (0.92  10.0   5.37  84.59) =  94.745%  kept
          QB    GLU-  15 - HN    GLN   17   4.16 +/- 0.42  26.013% *  7.6933% (0.92   1.0   1.71   0.02) =   4.912%  kept
          HB    ILE   19 - HN    GLN   17   6.96 +/- 1.43   7.680% *  1.6545% (0.80   1.0   0.42   0.02) =   0.312%  kept
          HG2   PRO   68 - HN    GLN   17  11.61 +/- 4.23  10.675% *  0.0710% (0.73   1.0   0.02   0.02) =   0.019%
          HB3   PRO   68 - HN    GLN   17  10.53 +/- 4.24   4.954% *  0.0553% (0.57   1.0   0.02   0.02) =   0.007%
          HG3   GLN   30 - HN    GLN   17   9.90 +/- 2.66   7.288% *  0.0218% (0.22   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLN   17  18.31 +/- 2.55   0.375% *  0.0975% (1.00   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  23.62 +/- 2.86   0.148% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  28.75 +/- 3.22   0.092% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.27, residual support = 84.6:
      O   HB3   GLN   17 - HN    GLN   17   3.05 +/- 0.34  65.773% * 99.6298% (0.98  10.0   5.27  84.59) =  99.963%  kept
          HB2   LEU   71 - HN    GLN   17   6.87 +/- 4.13  26.242% *  0.0777% (0.76   1.0   0.02   0.02) =   0.031%
          QB    LYS+  65 - HN    GLN   17  11.18 +/- 3.33   3.008% *  0.0738% (0.73   1.0   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    GLN   17  16.72 +/- 5.04   1.513% *  0.0381% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  11.18 +/- 2.69   2.153% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  19.70 +/- 3.79   0.463% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  16.29 +/- 2.61   0.559% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  24.28 +/- 2.86   0.149% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  24.84 +/- 3.20   0.140% *  0.0347% (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 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 2.07, residual support = 7.24:
          QB    GLU-  15 - HN    GLY   16   2.48 +/- 0.46  70.617% * 39.3642% (0.98   1.94   5.67) =  85.793%  kept
          HB2   GLN   17 - HN    GLY   16   5.71 +/- 0.64   7.804% * 58.4381% (0.98   2.88  16.90) =  14.076%  kept
          HG2   PRO   68 - HN    GLY   16  12.03 +/- 4.62   6.729% *  0.1973% (0.47   0.02   0.02) =   0.041%
          HB3   PRO   68 - HN    GLY   16  11.03 +/- 4.61   3.235% *  0.3246% (0.78   0.02   0.02) =   0.032%
          HB    ILE   19 - HN    GLY   16   8.03 +/- 1.57   3.308% *  0.2295% (0.55   0.02   0.02) =   0.023%
          HG3   GLN   30 - HN    GLY   16  10.32 +/- 2.71   4.002% *  0.1666% (0.40   0.02   0.02) =   0.021%
          HB3   GLU- 100 - HN    GLY   16  17.70 +/- 6.17   1.677% *  0.0902% (0.22   0.02   0.02) =   0.005%
          HB2   GLN   30 - HN    GLY   16  10.74 +/- 2.33   2.042% *  0.0710% (0.17   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLY   16  18.88 +/- 2.91   0.262% *  0.3834% (0.92   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLY   16  24.34 +/- 2.94   0.115% *  0.2622% (0.63   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLY   16  29.79 +/- 3.23   0.054% *  0.4018% (0.97   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  21.80 +/- 3.95   0.154% *  0.0710% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 5.8, residual support = 50.0:
          QG    GLN   17 - HN    VAL   18   3.01 +/- 0.75  86.479% * 98.7493% (0.70   5.80  50.03) =  99.961%  kept
          HB    VAL   70 - HN    VAL   18   8.27 +/- 2.59   6.742% *  0.3033% (0.62   0.02   0.02) =   0.024%
          HB2   GLU-  25 - HN    VAL   18  17.05 +/- 1.94   1.309% *  0.3916% (0.81   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HN    VAL   18  15.88 +/- 2.62   3.341% *  0.1169% (0.24   0.02   0.02) =   0.005%
          HB2   LYS+  38 - HN    VAL   18  16.92 +/- 2.13   0.826% *  0.3220% (0.66   0.02   0.02) =   0.003%
          HB2   MET   96 - HN    VAL   18  16.12 +/- 3.30   1.303% *  0.1169% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.47 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 = 0.698, support = 4.98, residual support = 75.9:
      O   HB    VAL   18 - HN    VAL   18   2.56 +/- 0.52  79.344% * 93.7588% (0.70  10.0   4.98  76.22) =  99.468%  kept
          HB    ILE   19 - HN    VAL   18   6.55 +/- 0.60   6.703% *  5.7613% (0.21   1.0   4.01  22.74) =   0.516%  kept
          HB2   LEU   67 - HN    VAL   18   7.85 +/- 3.62   7.129% *  0.1221% (0.91   1.0   0.02   0.02) =   0.012%
          HG2   PRO   68 - HN    VAL   18  11.30 +/- 4.28   5.684% *  0.0359% (0.27   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    VAL   18  18.48 +/- 3.61   0.421% *  0.1192% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  20.21 +/- 3.42   0.272% *  0.1221% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  21.14 +/- 4.62   0.255% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  21.47 +/- 2.81   0.191% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.355, support = 5.21, residual support = 47.6:
          HB3   GLN   17 - HN    VAL   18   3.43 +/- 0.67  57.807% * 82.0910% (0.33   5.46  50.03) =  95.113%  kept
          QB    LYS+  65 - HN    VAL   18   8.34 +/- 4.09  17.093% * 13.2473% (0.87   0.34   0.02) =   4.539%  kept
          HB2   LEU   71 - HN    VAL   18   8.32 +/- 3.44   9.809% *  0.7642% (0.84   0.02   0.02) =   0.150%  kept
          QB    LYS+  66 - HN    VAL   18   9.17 +/- 3.24   7.805% *  0.7359% (0.81   0.02   0.02) =   0.115%  kept
          HB    VAL   41 - HN    VAL   18  12.37 +/- 2.83   4.892% *  0.5699% (0.62   0.02   0.02) =   0.056%
          QB    LYS+ 102 - HN    VAL   18  19.77 +/- 3.24   0.671% *  0.8502% (0.93   0.02   0.02) =   0.011%
          HG12  ILE  103 - HN    VAL   18  18.90 +/- 3.21   0.806% *  0.4288% (0.47   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    VAL   18  21.27 +/- 3.34   0.319% *  0.8732% (0.96   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    VAL   18  19.83 +/- 4.95   0.570% *  0.2197% (0.24   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   18  23.45 +/- 3.15   0.229% *  0.2197% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 0.879, support = 5.11, residual support = 71.8:
          QG2   VAL   18 - HN    VAL   18   2.59 +/- 0.80  66.285% * 72.3706% (0.91   5.26  76.22) =  91.791%  kept
          QD1   ILE   19 - HN    VAL   18   6.00 +/- 1.01  16.033% * 26.5275% (0.51   3.47  22.74) =   8.138%  kept
          QG1   VAL   41 - HN    VAL   18  10.43 +/- 2.53   9.174% *  0.2685% (0.89   0.02   0.02) =   0.047%
          QG1   VAL   43 - HN    VAL   18  12.09 +/- 3.04   1.831% *  0.2902% (0.96   0.02   0.02) =   0.010%
          QD2   LEU   73 - HN    VAL   18   8.32 +/- 2.76   4.161% *  0.0725% (0.24   0.02   0.94) =   0.006%
          QG2   THR   46 - HN    VAL   18  12.93 +/- 4.00   0.945% *  0.2523% (0.84   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   18  13.54 +/- 1.46   0.831% *  0.1092% (0.36   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    VAL   18  15.38 +/- 2.82   0.740% *  0.1092% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.50 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 = 2.24, residual support = 9.03:
          QB    ALA   64 - HN    VAL   18   6.06 +/- 3.43  87.312% * 99.8612% (0.84   2.25   9.04) =  99.980%  kept
          QD1   LEU  115 - HN    VAL   18  15.61 +/- 2.87  12.688% *  0.1388% (0.13   0.02   0.02) =   0.020%
    Distance limit 4.38 A violated in 7 structures by 2.07 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.41, support = 4.04, residual support = 19.4:
          HN    PHE   59 - HN    PHE   60   2.72 +/- 0.19  56.666% * 57.5559% (0.44   4.32  20.14) =  86.462%  kept
          QE    PHE   59 - HN    THR  118   3.92 +/- 0.42  21.202% * 12.9712% (0.16   2.69  12.50) =   7.291%  kept
          QE    PHE   59 - HN    PHE   60   5.59 +/- 1.27  12.579% * 15.8019% (0.28   1.85  20.14) =   5.269%  kept
          HN    HIS  122 - HN    THR  118   7.07 +/- 0.28   3.287% * 10.9316% (0.21   1.71   4.77) =   0.952%  kept
          HN    HIS  122 - HN    PHE   60  11.12 +/- 1.38   1.118% *  0.2257% (0.37   0.02   0.02) =   0.007%
          HN    PHE   59 - HN    THR  118   9.51 +/- 0.57   1.410% *  0.1507% (0.25   0.02  12.50) =   0.006%
          HN    LYS+  66 - HN    PHE   60   9.22 +/- 1.15   1.635% *  0.0494% (0.08   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    PHE   60  17.95 +/- 3.35   0.369% *  0.2047% (0.34   0.02   0.02) =   0.002%
          HN    PHE   59 - HN    GLU-  15  22.61 +/- 2.39   0.115% *  0.5713% (0.95   0.02   0.02) =   0.002%
          HN    HIS  122 - HN    GLU-  15  23.18 +/- 4.63   0.132% *  0.4836% (0.80   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    GLU-  15  22.14 +/- 4.19   0.145% *  0.4385% (0.73   0.02   0.02) =   0.002%
          QE    PHE   59 - HN    GLU-  15  20.95 +/- 2.34   0.149% *  0.3663% (0.61   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    GLU-  15  14.59 +/- 2.38   0.481% *  0.1058% (0.18   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  19.11 +/- 3.05   0.273% *  0.1157% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  14.65 +/- 1.98   0.440% *  0.0279% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.25, residual support = 41.3:
          HN    ALA   61 - HN    PHE   60   2.81 +/- 0.22  89.435% * 95.0039% (0.47   5.25  41.31) =  99.969%  kept
          HN    TRP   27 - HN    GLU-  15  15.73 +/- 2.63   0.756% *  0.5922% (0.76   0.02   0.02) =   0.005%
          HE3   TRP   87 - HN    PHE   60  17.14 +/- 2.96   1.020% *  0.3137% (0.40   0.02   0.02) =   0.004%
          HN    THR   39 - HN    GLU-  15  12.34 +/- 3.29   1.971% *  0.1533% (0.20   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    THR  118  11.63 +/- 1.10   1.459% *  0.2044% (0.26   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    GLU-  15  19.12 +/- 2.45   0.357% *  0.7748% (1.00   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    PHE   60  16.25 +/- 2.83   0.679% *  0.3584% (0.46   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    THR  118  15.88 +/- 2.41   0.655% *  0.2025% (0.26   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    GLU-  15  24.20 +/- 3.50   0.190% *  0.6721% (0.87   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    PHE   60  19.77 +/- 2.83   0.332% *  0.2764% (0.36   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  17.36 +/- 2.05   0.463% *  0.1773% (0.23   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  23.54 +/- 4.13   0.483% *  0.1562% (0.20   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  29.27 +/- 2.97   0.093% *  0.7680% (0.99   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    PHE   60  17.07 +/- 3.12   0.952% *  0.0633% (0.08   0.02   0.02) =   0.001%
          HN    THR   39 - HN    PHE   60  20.24 +/- 2.65   0.353% *  0.0716% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  25.20 +/- 3.16   0.150% *  0.1357% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.41 +/- 2.21   0.401% *  0.0358% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.64 +/- 2.76   0.250% *  0.0404% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 4.92, residual support = 72.4:
      O   HB3   PHE   60 - HN    PHE   60   2.60 +/- 0.48  87.149% * 98.9222% (0.47  10.0   4.92  72.42) =  99.991%  kept
          HB3   PHE   60 - HN    THR  118  11.48 +/- 2.29   2.071% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  11.76 +/- 2.89   2.031% *  0.0529% (0.25   1.0   0.02   3.25) =   0.001%
          HB2   PHE   97 - HN    PHE   60  14.01 +/- 2.90   1.857% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  11.26 +/- 3.35   2.775% *  0.0294% (0.14   1.0   0.02   1.91) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  15.59 +/- 2.04   0.618% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  15.87 +/- 2.49   0.629% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  20.36 +/- 2.34   0.245% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  15  15.71 +/- 3.07   0.857% *  0.0529% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    GLU-  15  21.69 +/- 4.20   0.329% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  24.35 +/- 3.32   0.167% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  17.59 +/- 2.64   0.627% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.26 +/- 3.66   0.346% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  24.27 +/- 2.66   0.157% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.51 +/- 2.87   0.142% *  0.0139% (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 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.03, residual support = 20.1:
          HB3   PHE   59 - HN    PHE   60   3.34 +/- 0.51  89.373% * 96.9844% (0.39   4.03  20.14) =  99.960%  kept
          HB3   PHE   59 - HN    THR  118   8.07 +/- 0.85   8.568% *  0.2721% (0.22   0.02  12.50) =   0.027%
          HB3   TRP   49 - HN    PHE   60  16.23 +/- 1.35   1.028% *  0.4616% (0.37   0.02   0.02) =   0.005%
          HB3   PHE   59 - HN    GLU-  15  22.62 +/- 2.19   0.367% *  1.0318% (0.84   0.02   0.02) =   0.004%
          HB3   TRP   49 - HN    GLU-  15  30.06 +/- 3.84   0.171% *  0.9892% (0.80   0.02   0.02) =   0.002%
          HB3   TRP   49 - HN    THR  118  21.36 +/- 2.63   0.493% *  0.2609% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.04 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 = 2.71, residual support = 4.98:
        T HN    SER  117 - HN    THR  118   2.74 +/- 0.17  96.922% * 97.7507% (0.17 10.00   2.71   4.99) =  99.963%  kept
        T HN    SER  117 - HN    PHE   60  10.91 +/- 1.44   1.883% *  1.7701% (0.30 10.00   0.02   0.02) =   0.035%
          HN    GLY   16 - HN    PHE   60  18.58 +/- 2.40   0.369% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  21.03 +/- 3.59   0.289% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  22.99 +/- 3.76   0.237% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  23.62 +/- 3.67   0.300% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.132, support = 4.5, residual support = 40.6:
          QG2   THR  118 - HN    THR  118   3.48 +/- 0.15  87.744% * 84.2758% (0.13   4.60  41.62) =  97.460%  kept
          QG2   THR  118 - HN    PHE   60   7.59 +/- 1.13  12.256% * 15.7242% (0.23   0.47   0.02) =   2.540%  kept
    Distance limit 4.15 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 = 0.161, support = 4.5, residual support = 61.2:
      O   HA    PHE   60 - HN    PHE   60   2.76 +/- 0.10  23.393% * 79.4246% (0.22  10.0   4.92  72.42) =  65.299%  kept
      O   HB    THR  118 - HN    THR  118   2.13 +/- 0.23  50.264% * 18.8509% (0.05  10.0   3.73  41.62) =  33.300%  kept
          QB    SER  117 - HN    THR  118   2.77 +/- 0.26  24.450% *  1.6276% (0.03   1.0   3.11   4.99) =   1.399%  kept
          HA    PHE   60 - HN    THR  118  10.42 +/- 2.00   0.672% *  0.0439% (0.12   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    PHE   60   9.36 +/- 1.17   0.816% *  0.0341% (0.09   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  11.45 +/- 1.13   0.406% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.58, residual support = 42.1:
      O   HA    THR  118 - HN    THR  118   2.84 +/- 0.03  59.393% * 71.0705% (0.14  10.0   4.57  41.62) =  93.369%  kept
          HA    ILE  119 - HN    THR  118   5.05 +/- 0.12  10.741% * 22.7451% (0.17   1.0   5.45  60.30) =   5.404%  kept
          HD3   PRO   58 - HN    PHE   60   4.50 +/- 0.68  18.540% *  2.5362% (0.06   1.0   1.72   0.02) =   1.040%  kept
          HA    ILE  119 - HN    PHE   60   8.07 +/- 0.84   3.037% *  2.4335% (0.30   1.0   0.32   0.02) =   0.163%  kept
          HA    THR  118 - HN    PHE   60  11.31 +/- 1.04   1.075% *  0.5956% (0.26   1.0   0.09   0.02) =   0.014%
          HA    VAL   75 - HN    PHE   60  12.18 +/- 3.24   1.395% *  0.0632% (0.13   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    THR  118  10.86 +/- 2.20   2.032% *  0.0417% (0.08   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    PHE   60  16.72 +/- 3.21   0.695% *  0.1089% (0.22   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    PHE   60  15.47 +/- 1.11   0.397% *  0.1407% (0.28   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  15.92 +/- 3.37   0.729% *  0.0755% (0.15   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  11.18 +/- 0.97   1.077% *  0.0163% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  18.45 +/- 2.49   0.281% *  0.0602% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  20.68 +/- 2.64   0.189% *  0.0777% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  17.03 +/- 2.47   0.421% *  0.0349% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.988, support = 4.01, residual support = 20.1:
      O   HA    PHE   59 - HN    PHE   60   3.51 +/- 0.13  60.595% * 98.9248% (0.99  10.0   4.01  20.14) =  99.839%  kept
          HA    ILE   56 - HN    PHE   60   5.85 +/- 0.74  14.972% *  0.5737% (0.15   1.0   0.75   4.32) =   0.143%  kept
          HA    ASP- 113 - HN    THR  118   7.16 +/- 0.76   8.064% *  0.0485% (0.48   1.0   0.02   0.02) =   0.007%
          HA    PHE   59 - HN    THR  118   8.49 +/- 0.49   4.478% *  0.0797% (0.80   1.0   0.02  12.50) =   0.006%
          HA    ASP- 113 - HN    PHE   60  12.17 +/- 1.67   1.915% *  0.0601% (0.60   1.0   0.02   0.02) =   0.002%
          HA    TRP   87 - HN    PHE   60  18.56 +/- 2.72   0.735% *  0.0601% (0.60   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  18.36 +/- 5.52   3.115% *  0.0110% (0.11   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    THR  118  11.16 +/- 1.48   2.138% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  18.46 +/- 2.00   0.460% *  0.0485% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.52 +/- 2.63   0.560% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  21.10 +/- 2.24   0.321% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  17.98 +/- 2.90   0.566% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  14.83 +/- 2.98   1.140% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.82 +/- 2.65   0.273% *  0.0174% (0.17   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  26.67 +/- 3.13   0.164% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.97 +/- 2.48   0.213% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  30.08 +/- 3.25   0.113% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  25.63 +/- 2.82   0.180% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.924, support = 4.82, residual support = 68.7:
      O   HA    PHE   60 - HN    PHE   60   2.76 +/- 0.10  45.855% * 94.2224% (0.96  10.0   4.92  72.42) =  94.540%  kept
          QB    SER  117 - HN    THR  118   2.77 +/- 0.26  45.421% *  5.4883% (0.36   1.0   3.11   4.99) =   5.455%  kept
          HA    PHE   60 - HN    THR  118  10.42 +/- 2.00   1.373% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    THR  118   7.35 +/- 0.55   2.732% *  0.0138% (0.14   1.0   0.02   6.85) =   0.001%
          QB    SER  117 - HN    PHE   60  11.45 +/- 1.13   0.765% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    PHE   60  12.26 +/- 3.01   1.359% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  12.77 +/- 2.05   0.984% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.11 +/- 1.20   0.474% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.72 +/- 1.32   0.424% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  19.52 +/- 2.12   0.150% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  18.77 +/- 2.33   0.177% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  25.52 +/- 2.86   0.073% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  25.16 +/- 4.70   0.089% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  29.31 +/- 4.70   0.053% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.52 +/- 2.57   0.071% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.53, support = 3.83, residual support = 30.7:
          HG12  ILE  119 - HN    THR  118   4.65 +/- 0.62  12.620% * 54.7386% (0.72   5.41  60.30) =  45.531%  kept
          QG    GLU-  15 - HN    GLU-  15   3.16 +/- 0.78  34.873% * 11.8434% (0.32   2.66  10.30) =  27.223%  kept
          QG    GLU-  14 - HN    GLU-  15   3.64 +/- 0.69  24.874% * 13.9580% (0.36   2.71   1.75) =  22.885%  kept
          HG12  ILE  119 - HN    PHE   60   6.64 +/- 0.85   5.012% *  6.9775% (0.89   0.56   0.02) =   2.305%  kept
          HB2   ASP-  44 - HN    PHE   60   8.38 +/- 2.64   4.037% *  4.0291% (0.89   0.32   2.18) =   1.072%  kept
          HB2   ASP- 105 - HN    THR  118   8.66 +/- 3.63   6.231% *  1.1458% (0.11   0.75   4.27) =   0.471%  kept
          HB3   PHE   72 - HN    PHE   60  11.76 +/- 2.22   1.571% *  4.2537% (0.96   0.31   6.31) =   0.440%  kept
          HB2   ASP-  44 - HN    THR  118  12.93 +/- 2.80   0.691% *  0.2025% (0.72   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    THR  118  15.43 +/- 3.59   0.606% *  0.2179% (0.77   0.02   0.02) =   0.009%
          QG    GLN   90 - HN    PHE   60  16.53 +/- 3.00   0.358% *  0.2777% (0.98   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    GLU-  15  14.45 +/- 4.03   1.592% *  0.0586% (0.21   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    THR  118  16.23 +/- 2.77   0.414% *  0.2238% (0.79   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    GLU-  15  13.09 +/- 2.89   0.853% *  0.1075% (0.38   0.02   0.02) =   0.006%
          HB2   ASP- 105 - HN    PHE   60  13.50 +/- 2.92   2.049% *  0.0379% (0.13   0.02   0.02) =   0.005%
          QB    MET   11 - HN    GLU-  15  10.10 +/- 1.34   1.662% *  0.0380% (0.13   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    PHE   60  15.39 +/- 3.33   0.469% *  0.1152% (0.41   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    THR  118  15.81 +/- 3.46   0.576% *  0.0928% (0.33   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    PHE   60  18.81 +/- 2.02   0.210% *  0.2243% (0.79   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    PHE   60  20.24 +/- 2.34   0.160% *  0.2586% (0.91   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLU-  15  17.98 +/- 2.51   0.232% *  0.0999% (0.35   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    PHE   60  22.85 +/- 2.94   0.142% *  0.1474% (0.52   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    THR  118  22.80 +/- 2.79   0.108% *  0.1808% (0.64   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    THR  118  24.94 +/- 2.73   0.077% *  0.2084% (0.74   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  23.14 +/- 3.36   0.105% *  0.0999% (0.35   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR  118  26.26 +/- 3.79   0.080% *  0.1188% (0.42   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  26.04 +/- 3.32   0.090% *  0.0956% (0.34   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  26.93 +/- 3.11   0.069% *  0.1104% (0.39   0.02   0.02) =   0.001%
          QB    MET   11 - HN    THR  118  30.49 +/- 2.77   0.045% *  0.0770% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.65 +/- 3.68   0.055% *  0.0458% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  24.08 +/- 3.65   0.141% *  0.0151% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.157, support = 1.73, residual support = 8.72:
      O   QB    GLU-  15 - HN    GLU-  15   3.11 +/- 0.31  45.271% * 44.4874% (0.06  10.0   1.90  10.30) =  84.554%  kept
          HG3   PRO   58 - HN    PHE   60   6.25 +/- 0.41   5.887% * 30.5641% (0.89   1.0   0.89   0.02) =   7.554%  kept
          QB    GLU- 114 - HN    THR  118   5.34 +/- 0.72  10.336% * 15.5447% (0.48   1.0   0.83   0.11) =   6.746%  kept
          HB2   LEU  115 - HN    THR  118   5.67 +/- 0.43   8.399% *  2.3987% (0.69   1.0   0.09   0.02) =   0.846%  kept
          HB2   LEU  115 - HN    PHE   60   8.66 +/- 1.51   3.545% *  0.6611% (0.86   1.0   0.02   0.02) =   0.098%
          HB    ILE   19 - HN    GLU-  15   9.40 +/- 2.04   2.877% *  0.2082% (0.27   1.0   0.02   0.02) =   0.025%
          HG3   PRO   58 - HN    THR  118  12.05 +/- 1.53   0.987% *  0.5509% (0.72   1.0   0.02   0.02) =   0.023%
          HB2   GLN   17 - HN    GLU-  15   5.98 +/- 1.10  10.587% *  0.0468% (0.06   1.0   0.02   0.02) =   0.021%
          HG2   PRO   68 - HN    PHE   60  14.16 +/- 2.54   0.785% *  0.5825% (0.76   1.0   0.02   0.02) =   0.019%
          QB    GLU- 114 - HN    PHE   60  12.07 +/- 1.30   0.951% *  0.4623% (0.60   1.0   0.02   0.02) =   0.018%
          HB2   LEU   67 - HN    PHE   60  11.72 +/- 1.60   1.048% *  0.3710% (0.48   1.0   0.02   0.02) =   0.016%
          HG2   PRO   68 - HN    GLU-  15  14.13 +/- 3.77   1.247% *  0.2317% (0.30   1.0   0.02   0.02) =   0.012%
          HB    VAL   18 - HN    PHE   60  12.93 +/- 3.68   1.312% *  0.1901% (0.25   1.0   0.02   0.43) =   0.010%
          HG2   PRO   68 - HN    THR  118  17.07 +/- 3.59   0.444% *  0.4694% (0.61   1.0   0.02   0.02) =   0.009%
          HB    ILE   19 - HN    PHE   60  16.10 +/- 1.75   0.395% *  0.5236% (0.68   1.0   0.02   0.02) =   0.009%
          HB2   LEU   67 - HN    THR  118  15.64 +/- 3.48   0.618% *  0.2990% (0.39   1.0   0.02   0.02) =   0.008%
          HB    ILE   19 - HN    THR  118  20.79 +/- 3.61   0.330% *  0.4219% (0.55   1.0   0.02   0.02) =   0.006%
          HB2   LEU   67 - HN    GLU-  15  12.67 +/- 2.22   0.881% *  0.1475% (0.19   1.0   0.02   0.02) =   0.005%
          HB    VAL   18 - HN    GLU-  15  10.23 +/- 0.72   1.384% *  0.0756% (0.10   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    THR  118  27.68 +/- 5.22   0.368% *  0.1708% (0.22   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    PHE   60  16.56 +/- 2.92   0.517% *  0.1176% (0.15   1.0   0.02   0.02) =   0.003%
          HB    VAL   18 - HN    THR  118  18.64 +/- 3.88   0.356% *  0.1532% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    GLU-  15  19.20 +/- 3.51   0.412% *  0.0843% (0.11   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    PHE   60  23.87 +/- 3.61   0.163% *  0.2119% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLU-  15  24.62 +/- 2.95   0.118% *  0.2719% (0.35   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   60  18.70 +/- 1.98   0.242% *  0.1176% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  26.64 +/- 3.22   0.098% *  0.2629% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  22.16 +/- 3.35   0.181% *  0.0948% (0.12   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  26.95 +/- 2.83   0.091% *  0.1839% (0.24   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  22.57 +/- 3.28   0.173% *  0.0948% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 0.11, support = 2.06, residual support = 4.14:
          QG1   ILE   56 - HN    PHE   60   3.98 +/- 1.00  42.679% * 44.8154% (0.09   2.15   4.32) =  95.547%  kept
          QD    LYS+  99 - HN    GLU-  15  17.63 +/- 5.50   6.421% *  3.6070% (0.80   0.02   0.02) =   1.157%  kept
          HB2   LEU   73 - HN    GLU-  15  13.52 +/- 3.83   2.399% *  4.3472% (0.97   0.02   0.02) =   0.521%  kept
          HG3   PRO   93 - HN    PHE   60  11.32 +/- 3.61   4.761% *  1.6067% (0.36   0.02   0.02) =   0.382%  kept
          HB3   MET   92 - HN    PHE   60  13.54 +/- 3.11   2.256% *  2.1023% (0.47   0.02   0.02) =   0.237%  kept
          HB2   LEU  123 - HN    THR  118   9.00 +/- 0.28   4.890% *  0.9513% (0.21   0.02   0.02) =   0.232%  kept
          QD    LYS+ 106 - HN    THR  118  10.84 +/- 2.84   4.116% *  0.9923% (0.22   0.02   3.25) =   0.204%  kept
          HG3   PRO   93 - HN    THR  118  11.92 +/- 3.04   3.824% *  0.9079% (0.20   0.02   0.02) =   0.173%  kept
          HB2   LEU   73 - HN    PHE   60  14.78 +/- 2.53   1.598% *  2.0289% (0.45   0.02   0.40) =   0.162%  kept
          HD2   LYS+ 111 - HN    THR  118  11.82 +/- 1.28   2.506% *  1.1645% (0.26   0.02   0.02) =   0.146%  kept
          HB3   MET   92 - HN    THR  118  14.13 +/- 3.17   2.375% *  1.1880% (0.26   0.02   0.02) =   0.141%  kept
          QD    LYS+ 106 - HN    PHE   60  14.76 +/- 2.53   1.437% *  1.7560% (0.39   0.02   0.02) =   0.126%  kept
          HB2   LEU  123 - HN    PHE   60  13.28 +/- 0.98   1.493% *  1.6834% (0.37   0.02   0.02) =   0.126%  kept
          QG1   ILE   56 - HN    THR  118   8.07 +/- 1.38   9.628% *  0.2351% (0.05   0.02   0.02) =   0.113%  kept
          HD2   LYS+ 111 - HN    PHE   60  16.71 +/- 2.11   1.053% *  2.0607% (0.46   0.02   0.02) =   0.108%  kept
          QD    LYS+  38 - HN    GLU-  15  14.70 +/- 4.10   2.148% *  1.0029% (0.22   0.02   0.02) =   0.108%  kept
          QD    LYS+ 106 - HN    GLU-  15  23.79 +/- 3.33   0.356% *  3.7625% (0.84   0.02   0.02) =   0.067%
          QD    LYS+ 102 - HN    GLU-  15  23.15 +/- 4.85   0.485% *  2.5503% (0.57   0.02   0.02) =   0.062%
          HB2   LEU  123 - HN    GLU-  15  25.05 +/- 5.44   0.334% *  3.6070% (0.80   0.02   0.02) =   0.060%
          QD    LYS+  99 - HN    PHE   60  17.60 +/- 3.22   0.629% *  1.6834% (0.37   0.02   0.02) =   0.053%
          HB2   LEU   73 - HN    THR  118  19.29 +/- 4.05   0.880% *  1.1465% (0.25   0.02   0.02) =   0.050%
          QD    LYS+  99 - HN    THR  118  16.23 +/- 3.08   1.056% *  0.9513% (0.21   0.02   0.02) =   0.050%
          HB3   MET   92 - HN    GLU-  15  28.30 +/- 3.39   0.169% *  4.5046% (1.00   0.02   0.02) =   0.038%
          HG3   PRO   93 - HN    GLU-  15  27.54 +/- 2.80   0.194% *  3.4425% (0.76   0.02   0.02) =   0.033%
          HD2   LYS+ 111 - HN    GLU-  15  33.84 +/- 3.66   0.129% *  4.4154% (0.98   0.02   0.02) =   0.028%
          QD    LYS+ 102 - HN    PHE   60  20.96 +/- 2.96   0.403% *  1.1902% (0.26   0.02   0.02) =   0.024%
          QD    LYS+ 102 - HN    THR  118  18.40 +/- 2.89   0.606% *  0.6726% (0.15   0.02   0.02) =   0.020%
          QG1   ILE   56 - HN    GLU-  15  21.96 +/- 2.44   0.336% *  0.8915% (0.20   0.02   0.02) =   0.015%
          QD    LYS+  38 - HN    PHE   60  20.39 +/- 3.79   0.416% *  0.4681% (0.10   0.02   0.02) =   0.010%
          QD    LYS+  38 - HN    THR  118  20.78 +/- 2.30   0.425% *  0.2645% (0.06   0.02   0.02) =   0.006%
    Distance limit 4.36 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.248, support = 2.63, residual support = 40.4:
          QB    ALA   61 - HN    PHE   60   4.36 +/- 0.21  33.065% * 72.7534% (0.25   2.69  41.31) =  97.773%  kept
          HG12  ILE   19 - HN    GLU-  15   8.08 +/- 2.20   9.082% *  1.8417% (0.84   0.02   0.02) =   0.680%  kept
          QB    ALA   12 - HN    GLU-  15   7.15 +/- 1.24  11.078% *  0.8275% (0.38   0.02   0.02) =   0.373%  kept
          HD3   LYS+ 121 - HN    THR  118   7.82 +/- 1.44   9.111% *  0.5368% (0.24   0.02   6.85) =   0.199%  kept
          QB    ALA  110 - HN    THR  118   8.92 +/- 1.60   5.351% *  0.4444% (0.20   0.02   0.02) =   0.097%
          HB3   LYS+  74 - HN    GLU-  15  14.54 +/- 2.69   1.182% *  1.9774% (0.90   0.02   0.02) =   0.095%
          HB3   LYS+  74 - HN    PHE   60  12.76 +/- 3.42   2.225% *  0.9229% (0.42   0.02   0.02) =   0.083%
          HD3   LYS+ 121 - HN    PHE   60  12.70 +/- 1.99   1.959% *  0.9499% (0.43   0.02   0.02) =   0.076%
          QB    ALA  110 - HN    PHE   60  13.34 +/- 2.56   1.839% *  0.7864% (0.36   0.02   0.02) =   0.059%
          HB3   LEU   67 - HN    GLU-  15  13.08 +/- 2.63   1.729% *  0.8275% (0.38   0.02   0.02) =   0.058%
          QB    LEU   98 - HN    GLU-  15  17.88 +/- 3.71   0.984% *  1.4264% (0.65   0.02   0.02) =   0.057%
          QB    ALA   61 - HN    GLU-  15  14.95 +/- 2.45   1.082% *  1.1600% (0.53   0.02   0.02) =   0.051%
          HB3   LEU   67 - HN    PHE   60  11.21 +/- 2.23   2.609% *  0.3862% (0.18   0.02   0.02) =   0.041%
          QB    ALA   61 - HN    THR  118  10.90 +/- 1.56   3.117% *  0.3059% (0.14   0.02   0.02) =   0.039%
          QG    LYS+  66 - HN    PHE   60   9.43 +/- 1.08   3.862% *  0.2291% (0.10   0.02   0.02) =   0.036%
          HB2   LEU   80 - HN    PHE   60  18.17 +/- 4.07   0.715% *  1.0199% (0.46   0.02   0.02) =   0.030%
          HD3   LYS+ 121 - HN    GLU-  15  23.58 +/- 4.85   0.324% *  2.0354% (0.92   0.02   0.02) =   0.027%
          HG12  ILE   19 - HN    PHE   60  16.57 +/- 1.89   0.687% *  0.8595% (0.39   0.02   0.02) =   0.024%
          QB    LEU   98 - HN    PHE   60  15.50 +/- 2.00   0.880% *  0.6657% (0.30   0.02   0.02) =   0.024%
          QG    LYS+  66 - HN    GLU-  15  14.13 +/- 1.85   1.167% *  0.4909% (0.22   0.02   0.02) =   0.023%
          HB3   LYS+  74 - HN    THR  118  18.75 +/- 3.72   1.064% *  0.5215% (0.24   0.02   0.02) =   0.023%
          HB2   LEU   80 - HN    GLU-  15  24.44 +/- 4.06   0.241% *  2.1854% (0.99   0.02   0.02) =   0.021%
          HG    LEU   80 - HN    PHE   60  19.24 +/- 4.69   0.611% *  0.7472% (0.34   0.02   0.02) =   0.019%
          HG    LEU   80 - HN    GLU-  15  24.72 +/- 5.41   0.281% *  1.6011% (0.73   0.02   0.02) =   0.018%
          QB    LEU   98 - HN    THR  118  14.76 +/- 2.25   1.068% *  0.3762% (0.17   0.02   0.02) =   0.016%
          HB3   LEU   67 - HN    THR  118  15.45 +/- 3.96   1.411% *  0.2182% (0.10   0.02   0.02) =   0.013%
          QB    ALA  110 - HN    GLU-  15  27.61 +/- 2.85   0.146% *  1.6850% (0.76   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    THR  118  21.30 +/- 3.84   0.493% *  0.4857% (0.22   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    THR  118  13.70 +/- 2.49   1.548% *  0.1295% (0.06   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    THR  118  21.85 +/- 3.30   0.339% *  0.5764% (0.26   0.02   0.02) =   0.008%
          HG    LEU   80 - HN    THR  118  22.95 +/- 3.75   0.302% *  0.4223% (0.19   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    PHE   60  22.24 +/- 2.97   0.281% *  0.3862% (0.18   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    THR  118  26.51 +/- 3.30   0.168% *  0.2182% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.71, residual support = 25.2:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.07  79.888% * 97.8620% (0.89  10.0   3.72  25.26) =  99.922%  kept
          QG2   THR   77 - HN    LEU   80   6.19 +/- 0.99   3.753% *  1.4470% (0.20   1.0   1.33   0.55) =   0.069%
          QG2   THR   39 - HN    ALA   34   6.39 +/- 1.46   7.831% *  0.0303% (0.28   1.0   0.02   6.43) =   0.003%
          QG2   THR   23 - HN    LEU   80  12.24 +/- 4.97   1.663% *  0.0969% (0.89   1.0   0.02   0.39) =   0.002%
          QB    ALA   91 - HN    LEU   80  11.87 +/- 2.65   4.206% *  0.0272% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ALA   34   9.20 +/- 0.98   1.224% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.96 +/- 1.00   0.336% *  0.1082% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  16.21 +/- 3.89   0.422% *  0.0710% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.45 +/- 3.74   0.198% *  0.0877% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  21.14 +/- 2.44   0.096% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.88 +/- 2.62   0.136% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.81 +/- 1.71   0.135% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  27.40 +/- 3.68   0.042% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  22.15 +/- 2.14   0.070% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.56, support = 3.58, residual support = 25.9:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  71.430% * 77.8184% (0.56  10.0   3.52  25.26) =  95.287%  kept
          HA    LYS+  81 - HN    LEU   80   4.66 +/- 0.40  15.630% * 16.2558% (0.47   1.0   5.02  41.17) =   4.355%  kept
          HA    GLU-  36 - HN    ALA   34   7.04 +/- 0.14   4.293% *  4.6862% (0.41   1.0   1.66   0.29) =   0.345%  kept
          HA    ASN   28 - HN    ALA   34   7.74 +/- 0.29   3.261% *  0.1050% (0.76   1.0   0.02   0.02) =   0.006%
          HA1   GLY  101 - HN    ALA   34  13.10 +/- 5.34   2.090% *  0.0516% (0.37   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  17.25 +/- 6.30   0.811% *  0.0941% (0.68   1.0   0.02   0.95) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.28 +/- 4.13   0.481% *  0.1207% (0.88   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  19.39 +/- 3.20   0.386% *  0.0894% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   34  24.35 +/- 5.01   0.160% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.68 +/- 5.47   0.374% *  0.0462% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.86 +/- 3.76   0.118% *  0.1347% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.87 +/- 2.23   0.138% *  0.0998% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  22.28 +/- 4.36   0.185% *  0.0697% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  29.63 +/- 4.13   0.095% *  0.1136% (0.82   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.29 +/- 4.75   0.142% *  0.0723% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  22.56 +/- 3.72   0.227% *  0.0307% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.76 +/- 4.43   0.087% *  0.0506% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.34 +/- 2.78   0.093% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.958, support = 7.23, residual support = 40.9:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.03  40.483% * 88.6502% (0.99  10.0   7.40  43.02) =  94.902%  kept
          HA    GLN   32 - HN    ALA   34   4.27 +/- 0.31  24.072% *  7.0915% (0.34   1.0   4.65   0.69) =   4.514%  kept
          HB2   SER   82 - HN    LEU   80   7.10 +/- 0.73   5.779% *  2.1183% (0.85   1.0   0.56   0.38) =   0.324%  kept
          HA    GLU-  29 - HN    ALA   34   6.62 +/- 0.60   6.810% *  0.8582% (0.99   1.0   0.19   0.02) =   0.155%  kept
          HB2   SER   37 - HN    ALA   34   6.43 +/- 0.99   9.006% *  0.3593% (0.17   1.0   0.46   0.51) =   0.086%
          HA    VAL   70 - HN    ALA   34  11.00 +/- 2.67   2.826% *  0.0716% (0.80   1.0   0.02   0.02) =   0.005%
          HA    SER   48 - HN    LEU   80  12.03 +/- 4.01   2.663% *  0.0486% (0.54   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    ALA   34  11.35 +/- 1.65   1.461% *  0.0877% (0.98   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    LEU   80  20.66 +/- 4.42   0.861% *  0.0641% (0.72   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU   80  16.07 +/- 4.31   2.464% *  0.0159% (0.18   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LEU   80  17.34 +/- 4.14   0.441% *  0.0785% (0.88   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  12.18 +/- 1.19   1.114% *  0.0301% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  20.61 +/- 5.93   0.415% *  0.0794% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  24.51 +/- 7.18   0.258% *  0.0846% (0.94   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  23.98 +/- 5.12   0.192% *  0.0794% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  20.50 +/- 1.62   0.222% *  0.0641% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.84 +/- 2.65   0.154% *  0.0716% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.86 +/- 5.79   0.256% *  0.0273% (0.30   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.78 +/- 2.14   0.113% *  0.0542% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.88 +/- 3.32   0.154% *  0.0336% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.66 +/- 3.72   0.149% *  0.0140% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.01 +/- 2.78   0.106% *  0.0177% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.752, support = 5.51, residual support = 41.2:
          HG3   LYS+  33 - HN    ALA   34   3.05 +/- 0.72  56.157% * 81.8154% (0.76   5.72  43.02) =  95.691%  kept
          QB    ALA   84 - HN    LEU   80   4.99 +/- 0.67  19.736% * 10.0405% (0.54   0.99   0.02) =   4.127%  kept
          HB    VAL   42 - HN    ALA   34  11.49 +/- 1.52   1.793% *  2.3387% (0.83   0.15   0.02) =   0.087%
          HB3   PRO   93 - HN    LEU   80  14.11 +/- 2.58   3.196% *  0.2170% (0.58   0.02   0.02) =   0.014%
          HB3   LEU   73 - HN    ALA   34  11.17 +/- 2.71   1.711% *  0.3358% (0.89   0.02   0.02) =   0.012%
          HB3   LEU   73 - HN    LEU   80  12.56 +/- 2.78   1.363% *  0.3008% (0.80   0.02   0.02) =   0.009%
          HG    LEU   98 - HN    ALA   34  12.93 +/- 4.23   1.955% *  0.1823% (0.49   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HN    LEU   80  20.29 +/- 4.83   0.988% *  0.3237% (0.86   0.02   0.02) =   0.007%
          HG3   LYS+ 102 - HN    ALA   34  16.98 +/- 5.21   0.704% *  0.3457% (0.92   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    LEU   80  15.84 +/- 3.86   0.859% *  0.2802% (0.75   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    ALA   34  13.30 +/- 3.48   1.413% *  0.1405% (0.37   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ALA   34  17.47 +/- 3.44   0.554% *  0.3128% (0.83   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ALA   34  11.04 +/- 3.65   2.557% *  0.0656% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   34  18.52 +/- 3.25   0.416% *  0.3737% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   80  18.30 +/- 2.93   0.401% *  0.3347% (0.89   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  16.97 +/- 1.96   0.447% *  0.2802% (0.75   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LEU   80  12.89 +/- 2.21   1.166% *  0.0836% (0.22   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   80  17.27 +/- 3.77   0.494% *  0.1633% (0.44   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ALA   34  19.40 +/- 3.57   0.324% *  0.2271% (0.61   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   80  23.41 +/- 4.97   0.233% *  0.3096% (0.82   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    LEU   80  21.87 +/- 5.25   0.257% *  0.2563% (0.68   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ALA   34  20.52 +/- 4.39   0.453% *  0.1405% (0.37   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  27.28 +/- 3.66   0.116% *  0.3614% (0.96   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.70 +/- 1.41   0.447% *  0.0934% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  23.00 +/- 1.75   0.165% *  0.2423% (0.65   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  15.88 +/- 3.36   0.672% *  0.0587% (0.16   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  17.79 +/- 3.35   0.578% *  0.0656% (0.17   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  17.08 +/- 2.57   0.509% *  0.0587% (0.16   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  22.80 +/- 3.80   0.194% *  0.1259% (0.34   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  25.05 +/- 3.74   0.142% *  0.1259% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.732, support = 5.44, residual support = 40.6:
          QB    LYS+  33 - HN    ALA   34   3.35 +/- 0.26  50.648% * 46.4066% (0.72   5.93  43.02) =  76.727%  kept
          QB    LYS+  81 - HN    LEU   80   5.24 +/- 0.42  15.105% * 37.0805% (0.78   4.43  41.17) =  18.284%  kept
          HB3   GLN   30 - HN    ALA   34   5.80 +/- 0.85  12.137% * 12.0810% (0.69   1.63   1.45) =   4.787%  kept
          HB3   LYS+  38 - HN    ALA   34   8.86 +/- 0.56   2.790% *  1.4685% (0.87   0.16   0.02) =   0.134%  kept
          HB3   PRO   58 - HN    LEU   80  20.68 +/- 5.62   7.664% *  0.0659% (0.30   0.02   0.02) =   0.016%
          HB3   GLN   90 - HN    LEU   80  12.14 +/- 2.92   3.084% *  0.1546% (0.72   0.02   0.02) =   0.016%
          HB3   GLN   30 - HN    LEU   80  16.76 +/- 5.48   1.044% *  0.1326% (0.61   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    LEU   80  14.17 +/- 3.27   1.301% *  0.1016% (0.47   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LEU   80  18.94 +/- 4.37   0.673% *  0.1864% (0.86   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU   80  16.02 +/- 1.90   0.566% *  0.1732% (0.80   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  17.70 +/- 2.66   0.417% *  0.1934% (0.89   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  17.01 +/- 2.99   0.706% *  0.1049% (0.49   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  16.93 +/- 4.00   0.588% *  0.1134% (0.52   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.78 +/- 3.03   0.435% *  0.1308% (0.61   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  20.12 +/- 4.57   0.401% *  0.1402% (0.65   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  23.25 +/- 4.68   0.236% *  0.1870% (0.87   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LEU   80  19.62 +/- 3.93   0.371% *  0.1093% (0.51   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  20.75 +/- 2.96   0.344% *  0.1171% (0.54   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LEU   80  19.91 +/- 3.80   0.379% *  0.1016% (0.47   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.34 +/- 2.84   0.157% *  0.2081% (0.96   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  23.09 +/- 3.52   0.249% *  0.0940% (0.44   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.68 +/- 2.54   0.131% *  0.1726% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  26.82 +/- 3.33   0.121% *  0.1675% (0.78   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  28.53 +/- 4.26   0.136% *  0.1221% (0.56   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  25.87 +/- 2.19   0.126% *  0.1134% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.40 +/- 2.70   0.192% *  0.0735% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 7.26, residual support = 80.5:
      O   HA    LEU   80 - HN    LEU   80   2.70 +/- 0.28  71.414% * 76.8412% (0.50  10.0   7.61  86.69) =  92.334%  kept
          HA    ASP-  78 - HN    LEU   80   4.81 +/- 1.15  20.134% * 22.5886% (0.94   1.0   3.10   5.64) =   7.653%  kept
          HA    THR   23 - HN    LEU   80  12.80 +/- 6.58   4.424% *  0.1310% (0.85   1.0   0.02   0.39) =   0.010%
          HB    THR   23 - HN    LEU   80  14.32 +/- 6.35   2.269% *  0.0548% (0.36   1.0   0.02   0.39) =   0.002%
          HA    THR   23 - HN    ALA   34  15.29 +/- 0.80   0.418% *  0.1083% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.92 +/- 1.26   0.485% *  0.0453% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  22.51 +/- 6.34   0.230% *  0.0635% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.13 +/- 2.66   0.117% *  0.1205% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.90 +/- 3.28   0.298% *  0.0211% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.10 +/- 2.80   0.210% *  0.0256% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.755, support = 5.55, residual support = 48.7:
      O   HA    GLU-  79 - HN    LEU   80   3.49 +/- 0.26  65.283% * 95.1605% (0.76  10.0   5.58  49.04) =  99.289%  kept
          HB    THR   77 - HN    LEU   80   6.76 +/- 1.36  13.290% *  2.4392% (0.29   1.0   1.33   0.55) =   0.518%  kept
          HA    THR   39 - HN    ALA   34   7.97 +/- 1.26   7.765% *  1.4509% (0.68   1.0   0.34   6.43) =   0.180%  kept
          HA    ALA   57 - HN    LEU   80  17.45 +/- 5.45   1.771% *  0.1165% (0.93   1.0   0.02   0.02) =   0.003%
          HA1   GLY   51 - HN    LEU   80  17.93 +/- 4.22   1.450% *  0.1124% (0.89   1.0   0.02   0.02) =   0.003%
          HA    SER   85 - HN    LEU   80  10.19 +/- 0.62   2.917% *  0.0367% (0.29   1.0   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    ALA   34  14.77 +/- 3.90   1.332% *  0.0404% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  12.40 +/- 1.56   1.780% *  0.0296% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  23.29 +/- 3.50   0.332% *  0.0963% (0.77   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    LEU   80  19.52 +/- 3.56   0.515% *  0.0489% (0.39   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.97 +/- 3.58   0.316% *  0.0787% (0.63   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.67 +/- 2.82   0.238% *  0.1031% (0.82   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  17.51 +/- 3.74   0.795% *  0.0219% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.03 +/- 3.49   0.185% *  0.0929% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.46 +/- 1.30   0.684% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  23.65 +/- 3.83   0.447% *  0.0330% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.42 +/- 2.25   0.282% *  0.0303% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  24.37 +/- 4.32   0.238% *  0.0303% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.22 +/- 2.87   0.215% *  0.0273% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.19 +/- 5.86   0.164% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.783, support = 5.45, residual support = 45.4:
          HB3   GLU-  79 - HN    LEU   80   3.19 +/- 0.76  61.134% * 74.7162% (0.79   5.76  49.04) =  92.529%  kept
          QB    GLU-  36 - HN    ALA   34   5.36 +/- 0.51  18.049% * 19.1649% (0.70   1.66   0.29) =   7.007%  kept
          HB3   GLU-  29 - HN    ALA   34   7.62 +/- 0.73   5.719% *  2.4802% (0.78   0.19   0.02) =   0.287%  kept
          HG3   GLU-  29 - HN    ALA   34   9.44 +/- 0.89   3.387% *  1.8996% (0.60   0.19   0.02) =   0.130%  kept
          HB2   GLN   90 - HN    LEU   80  12.28 +/- 2.99   5.098% *  0.2867% (0.87   0.02   0.02) =   0.030%
          HB2   LYS+  38 - HN    ALA   34   8.44 +/- 0.59   4.721% *  0.0793% (0.24   0.02   0.02) =   0.008%
          HG3   GLU-  29 - HN    LEU   80  19.89 +/- 5.99   0.584% *  0.2373% (0.72   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    LEU   80  20.76 +/- 5.77   0.428% *  0.3099% (0.94   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  20.35 +/- 3.99   0.353% *  0.2145% (0.65   0.02   0.02) =   0.002%
          QB    GLU-  36 - HN    LEU   80  23.65 +/- 4.28   0.234% *  0.2785% (0.85   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  26.30 +/- 2.74   0.161% *  0.2370% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  27.35 +/- 3.49   0.133% *  0.0959% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.79, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.72 +/- 0.09  97.190% * 98.7794% (0.80 10.00   4.79  21.27) =  99.996%  kept
        T HN    ASN   35 - HN    LEU   80  23.65 +/- 4.74   0.217% *  0.8847% (0.72 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    ALA   34  16.13 +/- 3.52   0.754% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    ALA   34  16.07 +/- 2.85   0.591% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.31 +/- 5.06   0.142% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  16.93 +/- 2.43   0.521% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.20 +/- 3.72   0.447% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.09 +/- 2.56   0.138% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.89, support = 5.34, residual support = 41.1:
          HN    LYS+  81 - HN    LEU   80   3.68 +/- 0.50  76.071% * 94.9984% (0.89   5.35  41.17) =  99.773%  kept
          HE3   TRP   27 - HN    LEU   80  14.07 +/- 6.13   3.891% *  3.5485% (0.20   0.90   6.29) =   0.191%  kept
          HE3   TRP   27 - HN    ALA   34   8.41 +/- 1.13   9.451% *  0.0885% (0.22   0.02   0.02) =   0.012%
          QD    PHE   60 - HN    LEU   80  14.02 +/- 3.96   2.470% *  0.2851% (0.72   0.02   0.02) =   0.010%
          QD    PHE   60 - HN    ALA   34  16.70 +/- 3.02   1.366% *  0.3183% (0.80   0.02   0.02) =   0.006%
          QD    PHE   55 - HN    LEU   80  18.83 +/- 4.63   3.353% *  0.0624% (0.16   0.02   0.02) =   0.003%
          HN    LYS+  66 - HN    ALA   34  17.00 +/- 2.59   1.480% *  0.1227% (0.31   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    ALA   34  24.26 +/- 5.70   0.347% *  0.3966% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  17.99 +/- 2.38   0.946% *  0.1099% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  25.32 +/- 3.80   0.627% *  0.0696% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.21 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 = 0.728, support = 1.6, residual support = 1.94:
          HA    GLN   30 - HN    ALA   34   4.49 +/- 0.76  36.718% * 39.8539% (0.80   1.79   1.45) =  65.021%  kept
          HB    THR   39 - HN    ALA   34   7.03 +/- 1.42  12.512% * 25.2672% (0.61   1.50   6.43) =  14.047%  kept
          HB3   SER   37 - HN    ALA   34   6.48 +/- 1.10  15.754% * 17.9812% (0.45   1.44   0.51) =  12.587%  kept
          HB3   SER   82 - HN    LEU   80   7.14 +/- 1.06  14.112% * 12.8375% (0.82   0.56   0.38) =   8.050%  kept
          QB    SER   13 - HN    ALA   34  13.08 +/- 3.20   8.336% *  0.3593% (0.65   0.02   0.02) =   0.133%  kept
          HD3   PRO   52 - HN    LEU   80  17.13 +/- 4.49   3.253% *  0.4315% (0.78   0.02   0.02) =   0.062%
          HA    ILE   89 - HN    LEU   80  11.25 +/- 1.17   2.716% *  0.2230% (0.40   0.02   0.02) =   0.027%
          HB2   CYS   53 - HN    LEU   80  15.43 +/- 3.89   2.443% *  0.1867% (0.34   0.02   0.02) =   0.020%
          HA    GLN   30 - HN    LEU   80  19.25 +/- 5.38   0.901% *  0.3984% (0.72   0.02   0.02) =   0.016%
          HB3   SER   82 - HN    ALA   34  24.17 +/- 6.90   0.492% *  0.5127% (0.92   0.02   0.02) =   0.011%
          HB    THR   39 - HN    LEU   80  23.09 +/- 3.22   0.320% *  0.3017% (0.54   0.02   0.02) =   0.004%
          QB    SER   13 - HN    LEU   80  24.26 +/- 3.55   0.287% *  0.3218% (0.58   0.02   0.02) =   0.004%
          HD3   PRO   52 - HN    ALA   34  29.35 +/- 3.20   0.185% *  0.4818% (0.87   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    ALA   34  22.64 +/- 2.47   0.344% *  0.2490% (0.45   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    LEU   80  25.15 +/- 3.91   0.272% *  0.2230% (0.40   0.02   0.02) =   0.003%
          HB    THR  118 - HN    LEU   80  20.01 +/- 3.03   0.680% *  0.0768% (0.14   0.02   0.02) =   0.002%
          HB2   CYS   53 - HN    ALA   34  25.39 +/- 2.55   0.245% *  0.2085% (0.37   0.02   0.02) =   0.002%
          HB    THR  118 - HN    ALA   34  21.25 +/- 2.56   0.429% *  0.0857% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.748, support = 2.71, residual support = 9.81:
          HA    LEU   31 - HN    ALA   34   3.10 +/- 0.28  70.968% * 90.7907% (0.76   2.79  10.14) =  96.493%  kept
          HA    THR   77 - HN    LEU   80   4.93 +/- 1.29  28.141% *  8.3063% (0.34   0.58   0.55) =   3.501%  kept
          HA    LEU   31 - HN    LEU   80  19.39 +/- 5.31   0.614% *  0.5832% (0.68   0.02   0.02) =   0.005%
          HA    THR   77 - HN    ALA   34  20.92 +/- 2.48   0.277% *  0.3198% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 0.397, support = 3.05, residual support = 5.67:
          HA    ASP-  78 - HN    LEU   80   4.81 +/- 1.15  52.038% * 88.4698% (0.40   3.10   5.64) =  97.890%  kept
          HA    VAL   41 - HN    ALA   34   8.48 +/- 1.86  10.096% *  8.2860% (0.17   0.67   8.48) =   1.779%  kept
          HA    PHE   45 - HN    LEU   80   9.61 +/- 2.46   8.538% *  0.8745% (0.61   0.02   0.02) =   0.159%  kept
          HA    THR   23 - HN    LEU   80  12.80 +/- 6.58  25.744% *  0.2519% (0.18   0.02   0.39) =   0.138%  kept
          HA    PHE   45 - HN    ALA   34  18.75 +/- 1.69   0.767% *  0.9763% (0.69   0.02   0.02) =   0.016%
          HA    THR   23 - HN    ALA   34  15.29 +/- 0.80   1.345% *  0.2813% (0.20   0.02   0.02) =   0.008%
          HA    VAL   41 - HN    LEU   80  17.78 +/- 2.81   1.092% *  0.2230% (0.16   0.02   0.02) =   0.005%
          HA    ASP-  78 - HN    ALA   34  24.13 +/- 2.66   0.380% *  0.6372% (0.45   0.02   0.02) =   0.005%
    Distance limit 4.12 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.683, support = 4.58, residual support = 22.1:
          QE    LYS+  33 - HN    ALA   34   4.47 +/- 0.84  34.696% * 34.2128% (0.52   5.73  43.02) =  46.774%  kept
          HB2   ASP-  78 - HN    LEU   80   5.61 +/- 0.66  19.215% * 41.1826% (0.88   4.13   5.64) =  31.181%  kept
          HB2   ASP-  76 - HN    LEU   80   5.15 +/- 0.77  23.817% * 23.4184% (0.75   2.76   1.20) =  21.977%  kept
          HB2   ASN   69 - HN    ALA   34  14.23 +/- 3.38   2.580% *  0.1648% (0.72   0.02   0.02) =   0.017%
          HB2   ASN   28 - HN    ALA   34   9.44 +/- 0.49   3.807% *  0.0933% (0.41   0.02   0.02) =   0.014%
          QE    LYS+  65 - HN    LEU   80  14.18 +/- 4.13   3.883% *  0.0565% (0.25   0.02   0.02) =   0.009%
          QE    LYS+  65 - HN    ALA   34  17.08 +/- 3.11   2.884% *  0.0631% (0.28   0.02   0.02) =   0.007%
          HB2   ASP-  86 - HN    LEU   80   8.90 +/- 0.89   5.418% *  0.0275% (0.12   0.02   0.02) =   0.006%
          HB2   ASN   28 - HN    LEU   80  18.17 +/- 6.30   1.516% *  0.0836% (0.37   0.02   0.95) =   0.005%
          HB2   ASP-  76 - HN    ALA   34  19.86 +/- 2.67   0.460% *  0.1896% (0.83   0.02   0.02) =   0.003%
          QE    LYS+  33 - HN    LEU   80  20.35 +/- 4.91   0.607% *  0.1070% (0.47   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HN    ALA   34  23.59 +/- 2.65   0.268% *  0.2225% (0.98   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  24.02 +/- 2.04   0.260% *  0.1476% (0.65   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  20.66 +/- 5.86   0.591% *  0.0307% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.434, support = 5.58, residual support = 48.5:
          HB2   GLU-  79 - HN    LEU   80   2.75 +/- 0.47  74.769% * 85.9211% (0.44   5.64  49.04) =  98.879%  kept
          HG3   GLU-  36 - HN    ALA   34   7.01 +/- 1.15   6.672% *  9.5810% (0.34   0.80   0.29) =   0.984%  kept
          HG2   PRO   52 - HN    LEU   80  16.18 +/- 4.88  12.249% *  0.5433% (0.78   0.02   0.02) =   0.102%  kept
          HG3   GLU-  25 - HN    LEU   80  18.59 +/- 6.35   1.072% *  0.6139% (0.88   0.02   0.02) =   0.010%
          HG3   GLU-  25 - HN    ALA   34  14.94 +/- 1.03   0.637% *  0.6854% (0.98   0.02   0.02) =   0.007%
          HB2   PRO   58 - HN    LEU   80  20.14 +/- 5.24   1.836% *  0.2351% (0.34   0.02   0.02) =   0.007%
          HG2   MET   92 - HN    LEU   80  14.43 +/- 3.58   1.387% *  0.2136% (0.30   0.02   0.02) =   0.005%
          QG    GLU- 114 - HN    LEU   80  18.99 +/- 3.01   0.401% *  0.2575% (0.37   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  20.57 +/- 4.07   0.295% *  0.3404% (0.49   0.02   0.02) =   0.002%
          HG2   PRO   52 - HN    ALA   34  27.88 +/- 2.94   0.085% *  0.6066% (0.87   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  23.18 +/- 2.41   0.161% *  0.2875% (0.41   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.17 +/- 2.52   0.171% *  0.2624% (0.37   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  26.34 +/- 2.98   0.140% *  0.2385% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  27.32 +/- 4.69   0.126% *  0.2136% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.746, support = 5.31, residual support = 42.9:
          HB3   GLU-  79 - HN    LEU   80   3.19 +/- 0.76  44.352% * 66.4145% (0.78   5.76  49.04) =  87.336%  kept
          QB    GLU-  36 - HN    ALA   34   5.36 +/- 0.51  12.584% * 19.7775% (0.80   1.66   0.29) =   7.379%  kept
          QB    GLN   32 - HN    ALA   34   4.62 +/- 0.13  17.886% *  8.7317% (0.17   3.36   0.69) =   4.630%  kept
          HB    VAL   24 - HN    LEU   80  12.86 +/- 6.84   7.070% *  1.9683% (0.20   0.67   3.30) =   0.413%  kept
          HB3   GLU-  29 - HN    ALA   34   7.62 +/- 0.73   3.987% *  1.3984% (0.49   0.19   0.02) =   0.165%  kept
          HG3   GLU-  29 - HN    ALA   34   9.44 +/- 0.89   2.365% *  0.5031% (0.17   0.19   0.02) =   0.035%
          HG3   GLU- 100 - HN    ALA   34  12.54 +/- 5.37   6.044% *  0.1445% (0.49   0.02   0.02) =   0.026%
          HB2   GLN   90 - HN    LEU   80  12.28 +/- 2.99   3.402% *  0.0820% (0.28   0.02   0.02) =   0.008%
          HB3   GLU-  79 - HN    ALA   34  20.35 +/- 3.99   0.248% *  0.2574% (0.87   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    ALA   34  14.49 +/- 0.67   0.598% *  0.0661% (0.22   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LEU   80  20.76 +/- 5.77   0.297% *  0.1294% (0.44   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.65 +/- 4.28   0.163% *  0.2129% (0.72   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  19.89 +/- 5.99   0.404% *  0.0466% (0.16   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  19.92 +/- 5.37   0.366% *  0.0466% (0.16   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  24.99 +/- 3.61   0.123% *  0.1294% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.30 +/- 2.74   0.111% *  0.0916% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.693, support = 0.148, residual support = 0.108:
          QG1   VAL   75 - HN    LEU   80   6.49 +/- 1.15  68.460% * 68.0877% (0.68   0.16   0.11) =  93.378%  kept
          QD1   LEU  115 - HN    LEU   80  14.76 +/- 3.32  18.827% * 10.4947% (0.82   0.02   0.02) =   3.958%  kept
          QG1   VAL   75 - HN    ALA   34  14.23 +/- 2.03   7.918% *  9.7004% (0.76   0.02   0.02) =   1.539%  kept
          QD1   LEU  115 - HN    ALA   34  19.21 +/- 2.64   4.796% * 11.7172% (0.92   0.02   0.02) =   1.126%  kept
    Distance limit 4.69 A violated in 12 structures by 1.67 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.33, support = 6.43, residual support = 81.0:
          QD2   LEU   80 - HN    LEU   80   3.56 +/- 0.64  33.648% * 51.7475% (0.40   6.48  86.69) =  63.133%  kept
          QD1   LEU   80 - HN    LEU   80   3.76 +/- 0.95  31.327% * 26.1733% (0.18   7.43  86.69) =  29.729%  kept
          QG2   VAL   41 - HN    ALA   34   6.35 +/- 2.54  13.436% * 12.7386% (0.34   1.88   8.48) =   6.206%  kept
          QD2   LEU  115 - HN    LEU   80  15.34 +/- 3.91   3.352% *  6.4976% (0.44   0.75   0.02) =   0.790%  kept
          QD1   LEU   73 - HN    ALA   34   8.39 +/- 2.67   3.370% *  0.3320% (0.83   0.02   0.02) =   0.041%
          QD1   LEU   73 - HN    LEU   80  10.79 +/- 3.26   2.391% *  0.2973% (0.75   0.02   0.02) =   0.026%
          QD1   LEU   63 - HN    ALA   34  14.55 +/- 3.04   1.444% *  0.3320% (0.83   0.02   0.02) =   0.017%
          QD2   LEU   63 - HN    ALA   34  13.83 +/- 2.51   1.080% *  0.3564% (0.89   0.02   0.02) =   0.014%
          QD2   LEU   98 - HN    ALA   34  10.41 +/- 3.68   3.529% *  0.0787% (0.20   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    LEU   80  14.71 +/- 2.74   0.685% *  0.2973% (0.75   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    ALA   34  11.76 +/- 3.65   2.039% *  0.0991% (0.25   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    LEU   80  15.00 +/- 1.75   0.535% *  0.3192% (0.80   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    ALA   34  17.98 +/- 6.61   0.475% *  0.1782% (0.45   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    LEU   80  13.57 +/- 3.45   1.064% *  0.0704% (0.18   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    LEU   80  14.66 +/- 2.88   0.596% *  0.1214% (0.30   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  19.54 +/- 2.07   0.319% *  0.1935% (0.49   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  18.17 +/- 2.25   0.335% *  0.0888% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    ALA   34  18.78 +/- 6.73   0.373% *  0.0787% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 0.69, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  20.92 +/- 3.28  15.862% * 31.5414% (1.00   0.02   0.02) =  32.040%  kept
          QD2   LEU  123 - HN    LEU   80  22.61 +/- 4.51  14.262% * 28.2508% (0.89   0.02   0.02) =  25.803%  kept
          HG3   LYS+ 121 - HN    ALA   34  20.57 +/- 4.78  17.281% * 14.1725% (0.45   0.02   0.02) =  15.684%  kept
          HB3   LEU  104 - HN    ALA   34  16.14 +/- 4.25  31.197% *  7.0378% (0.22   0.02   0.02) =  14.061%  kept
          HG3   LYS+ 121 - HN    LEU   80  24.18 +/- 3.17   9.219% * 12.6939% (0.40   0.02   0.02) =   7.495%  kept
          HB3   LEU  104 - HN    LEU   80  22.52 +/- 3.09  12.179% *  6.3036% (0.20   0.02   0.02) =   4.917%  kept
    Distance limit 4.50 A violated in 20 structures by 8.73 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.774, support = 5.5, residual support = 41.7:
          QB    LYS+  33 - HN    ALA   34   3.35 +/- 0.26  50.648% * 46.4660% (0.74   5.93  43.02) =  76.072%  kept
          QB    LYS+  81 - HN    LEU   80   5.24 +/- 0.42  15.105% * 44.2689% (0.94   4.43  41.17) =  21.614%  kept
          HB3   GLN   30 - HN    ALA   34   5.80 +/- 0.85  12.137% *  5.5574% (0.32   1.63   1.45) =   2.180%  kept
          HB3   LYS+  38 - HN    ALA   34   8.86 +/- 0.56   2.790% *  0.7892% (0.47   0.16   0.02) =   0.071%
          HB3   GLN   90 - HN    LEU   80  12.14 +/- 2.92   3.084% *  0.1965% (0.93   0.02   0.02) =   0.020%
          HB3   PRO   58 - HN    LEU   80  20.68 +/- 5.62   7.664% *  0.0309% (0.15   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    LEU   80  16.02 +/- 1.90   0.566% *  0.2004% (0.95   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LEU   80  18.94 +/- 4.37   0.673% *  0.1532% (0.72   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  17.01 +/- 2.99   0.706% *  0.1266% (0.60   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    LEU   80  16.76 +/- 5.48   1.044% *  0.0824% (0.39   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  16.93 +/- 4.00   0.588% *  0.1327% (0.63   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU   80  20.12 +/- 4.57   0.401% *  0.1896% (0.89   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    LEU   80  14.17 +/- 3.27   1.301% *  0.0557% (0.26   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.70 +/- 2.66   0.417% *  0.1657% (0.78   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.78 +/- 3.03   0.435% *  0.1437% (0.68   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  19.62 +/- 3.93   0.371% *  0.1674% (0.79   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  19.91 +/- 3.80   0.379% *  0.1605% (0.76   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU   80  20.75 +/- 2.96   0.344% *  0.1739% (0.82   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  23.25 +/- 4.68   0.236% *  0.1653% (0.78   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  23.09 +/- 3.52   0.249% *  0.1532% (0.72   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.68 +/- 2.54   0.131% *  0.1624% (0.77   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.34 +/- 2.84   0.157% *  0.1266% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  28.53 +/- 4.26   0.136% *  0.1384% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  26.82 +/- 3.33   0.121% *  0.1216% (0.57   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.87 +/- 2.19   0.126% *  0.0461% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.40 +/- 2.70   0.192% *  0.0256% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.246, support = 3.69, residual support = 25.0:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.07  89.749% * 81.8064% (0.24  10.0   3.72  25.26) =  99.012%  kept
          QG2   THR   77 - HN    LEU   80   6.19 +/- 0.99   4.250% * 17.0699% (0.76   1.0   1.33   0.55) =   0.978%  kept
          QG2   THR   23 - HN    LEU   80  12.24 +/- 4.97   1.866% *  0.2074% (0.61   1.0   0.02   0.39) =   0.005%
          HG2   LYS+  38 - HN    ALA   34   8.12 +/- 0.99   2.074% *  0.0409% (0.12   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    LEU   80  11.44 +/- 0.76   0.553% *  0.1318% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.96 +/- 1.00   0.378% *  0.1715% (0.51   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.81 +/- 1.71   0.152% *  0.2122% (0.63   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  16.21 +/- 3.89   0.472% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.45 +/- 3.74   0.222% *  0.0989% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  19.61 +/- 2.77   0.125% *  0.1090% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  21.14 +/- 2.44   0.108% *  0.0464% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.65 +/- 3.73   0.052% *  0.0495% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.421, support = 6.14, residual support = 86.6:
      O   HB2   LEU   80 - HN    LEU   80   3.22 +/- 0.55  49.719% * 49.3293% (0.26  10.0   5.89  86.69) =  67.791%  kept
          HG    LEU   80 - HN    LEU   80   4.58 +/- 0.72  24.335% * 47.6699% (0.76   1.0   6.71  86.69) =  32.065%  kept
          HG    LEU   40 - HN    ALA   34  10.00 +/- 2.22   5.260% *  0.5647% (0.27   1.0   0.23   0.59) =   0.082%
          HG    LEU   73 - HN    ALA   34   9.84 +/- 2.98   3.206% *  0.1225% (0.65   1.0   0.02   0.02) =   0.011%
          QB    ALA   61 - HN    LEU   80  13.52 +/- 3.06   2.071% *  0.1678% (0.89   1.0   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    ALA   34   9.60 +/- 2.13   3.370% *  0.1008% (0.54   1.0   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    LEU   80  13.59 +/- 3.47   1.650% *  0.1482% (0.79   1.0   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    ALA   34  14.82 +/- 2.84   0.787% *  0.1464% (0.78   1.0   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    LEU   80  17.99 +/- 3.20   0.755% *  0.1356% (0.72   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ALA   34  15.38 +/- 2.20   0.699% *  0.1388% (0.74   1.0   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ALA   34  16.38 +/- 5.12   0.723% *  0.1065% (0.57   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ALA   34  17.38 +/- 2.85   0.524% *  0.1416% (0.75   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    LEU   80  17.83 +/- 3.04   0.408% *  0.1712% (0.91   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ALA   34  21.54 +/- 7.73   0.555% *  0.1175% (0.63   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LEU   80  18.42 +/- 1.83   0.309% *  0.1770% (0.94   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   80  18.04 +/- 3.55   0.396% *  0.1219% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   80  18.68 +/- 3.62   0.753% *  0.0605% (0.32   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  23.41 +/- 4.94   0.269% *  0.1288% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  11.74 +/- 1.87   1.197% *  0.0274% (0.15   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  14.96 +/- 2.69   0.687% *  0.0366% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   34  21.22 +/- 6.23   0.400% *  0.0408% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.25 +/- 2.29   0.247% *  0.0605% (0.32   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  24.28 +/- 2.85   0.126% *  0.1121% (0.60   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  18.96 +/- 2.02   0.307% *  0.0442% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.78 +/- 1.21   0.590% *  0.0226% (0.12   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  19.85 +/- 4.52   0.301% *  0.0257% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.37 +/- 2.73   0.151% *  0.0500% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  23.53 +/- 3.59   0.206% *  0.0311% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.601, support = 1.94, residual support = 9.43:
          HG    LEU   31 - HN    ALA   34   5.73 +/- 0.50  18.494% * 64.4086% (0.51   2.63  10.14) =  63.771%  kept
          QG1   VAL   41 - HN    ALA   34   5.85 +/- 2.03  23.012% * 28.3237% (0.78   0.75   8.48) =  34.895%  kept
          QG1   VAL   43 - HN    LEU   80  10.49 +/- 2.86   4.943% *  0.8452% (0.87   0.02   0.02) =   0.224%  kept
          QG2   THR   46 - HN    LEU   80   9.23 +/- 2.78   7.448% *  0.5553% (0.57   0.02   0.02) =   0.221%  kept
          QD2   LEU   73 - HN    ALA   34   8.18 +/- 2.49   9.397% *  0.3685% (0.38   0.02   0.02) =   0.185%  kept
          QD2   LEU   73 - HN    LEU   80  11.17 +/- 3.50   5.753% *  0.4456% (0.46   0.02   0.02) =   0.137%  kept
          QD1   ILE   19 - HN    ALA   34   7.38 +/- 1.94  11.334% *  0.2105% (0.22   0.02   0.02) =   0.128%  kept
          QG1   VAL   43 - HN    ALA   34  11.36 +/- 2.35   2.729% *  0.6988% (0.72   0.02   0.02) =   0.102%  kept
          QG2   VAL   18 - HN    ALA   34  11.70 +/- 1.35   2.228% *  0.5497% (0.57   0.02   0.02) =   0.066%
          QG1   VAL   41 - HN    LEU   80  15.70 +/- 3.22   1.158% *  0.9135% (0.94   0.02   0.02) =   0.057%
          QG2   VAL   18 - HN    LEU   80  13.50 +/- 3.42   1.531% *  0.6648% (0.69   0.02   0.02) =   0.055%
          HG    LEU   31 - HN    LEU   80  17.29 +/- 5.94   1.525% *  0.5923% (0.61   0.02   0.02) =   0.048%
          QD1   ILE   56 - HN    LEU   80  15.37 +/- 3.67   3.174% *  0.2283% (0.24   0.02   0.02) =   0.039%
          QD2   LEU  104 - HN    ALA   34  12.18 +/- 3.31   4.297% *  0.1326% (0.14   0.02   0.02) =   0.030%
          QG2   THR   46 - HN    ALA   34  17.51 +/- 1.57   0.624% *  0.4591% (0.47   0.02   0.02) =   0.015%
          QD1   ILE   19 - HN    LEU   80  15.52 +/- 2.94   1.110% *  0.2546% (0.26   0.02   0.02) =   0.015%
          QD2   LEU  104 - HN    LEU   80  18.57 +/- 2.89   0.698% *  0.1603% (0.17   0.02   0.02) =   0.006%
          QD1   ILE   56 - HN    ALA   34  20.47 +/- 2.61   0.547% *  0.1888% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.4, residual support = 85.5:
          QD2   LEU   80 - HN    LEU   80   3.56 +/- 0.64  49.322% * 87.3186% (0.85   6.48  86.69) =  98.623%  kept
          QD2   LEU  115 - HN    LEU   80  15.34 +/- 3.91   5.151% * 10.3946% (0.87   0.75   0.02) =   1.226%  kept
          QG1   VAL   83 - HN    LEU   80   5.24 +/- 0.99  23.860% *  0.0749% (0.24   0.02   0.15) =   0.041%
          QD1   LEU   73 - HN    ALA   34   8.39 +/- 2.67   5.850% *  0.2434% (0.77   0.02   0.02) =   0.033%
          QD1   LEU   73 - HN    LEU   80  10.79 +/- 3.26   4.273% *  0.2943% (0.93   0.02   0.02) =   0.029%
          QD1   LEU   63 - HN    ALA   34  14.55 +/- 3.04   2.028% *  0.2434% (0.77   0.02   0.02) =   0.011%
          QD1   LEU  104 - HN    ALA   34  11.76 +/- 3.65   2.416% *  0.1705% (0.54   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    LEU   80  14.71 +/- 2.74   1.198% *  0.2943% (0.93   0.02   0.02) =   0.008%
          QD2   LEU   80 - HN    ALA   34  17.98 +/- 6.61   1.182% *  0.2227% (0.70   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    ALA   34  13.83 +/- 2.51   1.573% *  0.1113% (0.35   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU   80  15.00 +/- 1.75   0.888% *  0.1346% (0.42   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   80  18.17 +/- 2.25   0.546% *  0.2063% (0.65   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  19.54 +/- 2.07   0.425% *  0.2292% (0.72   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    ALA   34  16.41 +/- 5.58   1.289% *  0.0619% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.455, support = 0.152, residual support = 0.111:
          QG1   VAL   75 - HN    LEU   80   6.49 +/- 1.15  68.460% * 79.7880% (0.46   0.16   0.11) =  96.233%  kept
          QD1   LEU  115 - HN    LEU   80  14.76 +/- 3.32  18.827% *  6.4560% (0.29   0.02   0.02) =   2.141%  kept
          QG1   VAL   75 - HN    ALA   34  14.23 +/- 2.03   7.918% *  8.4181% (0.38   0.02   0.02) =   1.174%  kept
          QD1   LEU  115 - HN    ALA   34  19.21 +/- 2.64   4.796% *  5.3379% (0.24   0.02   0.02) =   0.451%  kept
    Distance limit 4.50 A violated in 13 structures by 1.86 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.617, support = 3.55, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  69.822% * 86.5913% (0.63  10.0   3.52  25.26) =  97.359%  kept
          HA    LYS+  81 - HN    LEU   80   4.66 +/- 0.40  15.279% * 10.1313% (0.29   1.0   5.02  41.17) =   2.493%  kept
          HA    GLU-  36 - HN    ALA   34   7.04 +/- 0.14   4.196% *  1.9966% (0.17   1.0   1.66   0.29) =   0.135%  kept
          HA    ASN   28 - HN    ALA   34   7.74 +/- 0.29   3.187% *  0.1023% (0.74   1.0   0.02   0.02) =   0.005%
          HA1   GLY  101 - HN    ALA   34  13.10 +/- 5.34   2.042% *  0.0656% (0.47   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  17.25 +/- 6.30   0.792% *  0.1237% (0.89   1.0   0.02   0.95) =   0.002%
          HA    ARG+  54 - HN    LEU   80  18.28 +/- 4.13   0.471% *  0.1092% (0.79   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  19.39 +/- 3.20   0.378% *  0.1207% (0.87   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34   9.99 +/- 0.89   1.571% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.68 +/- 5.47   0.365% *  0.0793% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  22.28 +/- 4.36   0.181% *  0.1047% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  17.71 +/- 6.08   0.679% *  0.0229% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.87 +/- 2.23   0.135% *  0.0998% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  22.56 +/- 3.72   0.222% *  0.0586% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.35 +/- 5.01   0.156% *  0.0785% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.86 +/- 3.76   0.115% *  0.0903% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  29.63 +/- 4.13   0.093% *  0.0950% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.29 +/- 4.75   0.139% *  0.0334% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.34 +/- 2.78   0.091% *  0.0485% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.76 +/- 4.43   0.085% *  0.0291% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.586, support = 2.69, residual support = 9.69:
          HA    LEU   31 - HN    ALA   34   3.10 +/- 0.28  70.968% * 88.0485% (0.60   2.79  10.14) =  95.322%  kept
          HA    THR   77 - HN    LEU   80   4.93 +/- 1.29  28.141% * 10.8776% (0.36   0.58   0.55) =   4.670%  kept
          HA    LEU   31 - HN    LEU   80  19.39 +/- 5.31   0.614% *  0.7638% (0.72   0.02   0.02) =   0.007%
          HA    THR   77 - HN    ALA   34  20.92 +/- 2.48   0.277% *  0.3101% (0.29   0.02   0.02) =   0.001%
    Distance limit 3.76 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 = 0.699, support = 4.73, residual support = 24.2:
          QE    LYS+  33 - HN    ALA   34   4.47 +/- 0.84  34.696% * 38.2893% (0.60   5.73  43.02) =  51.588%  kept
          HB2   ASP-  78 - HN    LEU   80   5.61 +/- 0.66  19.215% * 42.8460% (0.93   4.13   5.64) =  31.969%  kept
          HB2   ASP-  76 - HN    LEU   80   5.15 +/- 0.77  23.817% * 17.6921% (0.57   2.76   1.20) =  16.362%  kept
          HB2   ASN   28 - HN    ALA   34   9.44 +/- 0.49   3.807% *  0.1131% (0.51   0.02   0.02) =   0.017%
          QE    LYS+  65 - HN    LEU   80  14.18 +/- 4.13   3.883% *  0.1029% (0.46   0.02   0.02) =   0.016%
          HB2   ASP-  86 - HN    LEU   80   8.90 +/- 0.89   5.418% *  0.0588% (0.26   0.02   0.02) =   0.012%
          QE    LYS+  65 - HN    ALA   34  17.08 +/- 3.11   2.884% *  0.0851% (0.38   0.02   0.02) =   0.010%
          HB2   ASN   69 - HN    ALA   34  14.23 +/- 3.38   2.580% *  0.0851% (0.38   0.02   0.02) =   0.009%
          HB2   ASN   28 - HN    LEU   80  18.17 +/- 6.30   1.516% *  0.1368% (0.61   0.02   0.95) =   0.008%
          QE    LYS+  33 - HN    LEU   80  20.35 +/- 4.91   0.607% *  0.1616% (0.72   0.02   0.02) =   0.004%
          HB2   ASP-  76 - HN    ALA   34  19.86 +/- 2.67   0.460% *  0.1061% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  23.59 +/- 2.65   0.268% *  0.1714% (0.77   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  20.66 +/- 5.86   0.591% *  0.0486% (0.22   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    LEU   80  24.02 +/- 2.04   0.260% *  0.1029% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.459, support = 5.59, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.75 +/- 0.47  74.769% * 88.6825% (0.46   5.64  49.04) =  99.135%  kept
          HG3   GLU-  36 - HN    ALA   34   7.01 +/- 1.15   6.672% *  7.3233% (0.27   0.80   0.29) =   0.731%  kept
          HG2   PRO   52 - HN    LEU   80  16.18 +/- 4.88  12.249% *  0.5608% (0.82   0.02   0.02) =   0.103%  kept
          HG3   GLU-  25 - HN    LEU   80  18.59 +/- 6.35   1.072% *  0.6337% (0.93   0.02   0.02) =   0.010%
          HB2   PRO   58 - HN    LEU   80  20.14 +/- 5.24   1.836% *  0.2426% (0.36   0.02   0.02) =   0.007%
          HG3   GLU-  25 - HN    ALA   34  14.94 +/- 1.03   0.637% *  0.5239% (0.77   0.02   0.02) =   0.005%
          HG2   MET   92 - HN    LEU   80  14.43 +/- 3.58   1.387% *  0.2205% (0.32   0.02   0.02) =   0.005%
          QG    GLU- 114 - HN    LEU   80  18.99 +/- 3.01   0.401% *  0.2658% (0.39   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  20.57 +/- 4.07   0.295% *  0.2602% (0.38   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  27.88 +/- 2.94   0.085% *  0.4636% (0.68   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  23.18 +/- 2.41   0.161% *  0.2197% (0.32   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.17 +/- 2.52   0.171% *  0.2006% (0.29   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  27.32 +/- 4.69   0.126% *  0.2205% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.34 +/- 2.98   0.140% *  0.1823% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 7.25, residual support = 41.2:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.03  40.483% * 89.1756% (0.78  10.0   7.40  43.02) =  95.630%  kept
          HA    GLN   32 - HN    ALA   34   4.27 +/- 0.31  24.072% *  5.7631% (0.22   1.0   4.65   0.69) =   3.675%  kept
          HB2   SER   82 - HN    LEU   80   7.10 +/- 0.73   5.779% *  2.7038% (0.85   1.0   0.56   0.38) =   0.414%  kept
          HA    GLU-  29 - HN    ALA   34   6.62 +/- 0.60   6.810% *  0.8331% (0.75   1.0   0.19   0.02) =   0.150%  kept
          HB2   SER   37 - HN    ALA   34   6.43 +/- 0.99   9.006% *  0.4554% (0.17   1.0   0.46   0.51) =   0.109%  kept
          HA    VAL   70 - HN    ALA   34  11.00 +/- 2.67   2.826% *  0.0774% (0.68   1.0   0.02   0.02) =   0.006%
          HA    SER   48 - HN    LEU   80  12.03 +/- 4.01   2.663% *  0.0567% (0.50   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    ALA   34  11.35 +/- 1.65   1.461% *  0.0844% (0.74   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    LEU   80  20.66 +/- 4.42   0.861% *  0.0936% (0.82   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    LEU   80  17.34 +/- 4.14   0.441% *  0.1020% (0.89   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  20.61 +/- 5.93   0.415% *  0.1041% (0.91   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU   80  16.07 +/- 4.31   2.464% *  0.0166% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  12.18 +/- 1.19   1.114% *  0.0333% (0.29   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  20.50 +/- 1.62   0.222% *  0.0936% (0.82   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  23.98 +/- 5.12   0.192% *  0.1079% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  24.51 +/- 7.18   0.258% *  0.0800% (0.70   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  23.84 +/- 2.65   0.154% *  0.0774% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.86 +/- 5.79   0.256% *  0.0300% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.78 +/- 2.14   0.113% *  0.0469% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.88 +/- 3.32   0.154% *  0.0275% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.66 +/- 3.72   0.149% *  0.0240% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.01 +/- 2.78   0.106% *  0.0138% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.428, support = 0.02, residual support = 0.356:
          HN    GLU-  29 - HN    ALA   34   8.06 +/- 0.50  19.561% * 11.4785% (0.61  1.00   0.02   0.02) =  34.411%  kept
          HN    GLN   30 - HN    ALA   34   6.06 +/- 0.57  46.217% *  3.3143% (0.17  1.00   0.02   1.45) =  23.476%  kept
          HN    VAL   18 - HN    ALA   34  13.39 +/- 1.52   4.932% * 13.7422% (0.72  1.00   0.02   0.02) =  10.387%  kept
          HN    ASP-  86 - HN    LEU   80   8.64 +/- 0.64  17.744% *  3.7738% (0.20  1.00   0.02   0.02) =  10.262%  kept
        T HN    ASP-  86 - HN    ALA   34  22.38 +/- 5.39   1.464% * 42.1332% (0.22 10.00   0.02   0.02) =   9.454%  kept
          HN    GLU-  29 - HN    LEU   80  18.27 +/- 6.09   3.940% * 10.2810% (0.54  1.00   0.02   0.02) =   6.208%  kept
          HN    VAL   18 - HN    LEU   80  18.46 +/- 4.10   2.101% * 12.3085% (0.65  1.00   0.02   0.02) =   3.963%  kept
          HN    GLN   30 - HN    LEU   80  17.85 +/- 5.82   4.042% *  2.9685% (0.16  1.00   0.02   0.02) =   1.839%  kept
    Distance limit 3.84 A violated in 16 structures by 1.91 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.35, support = 0.02, residual support = 0.299:
          HN    GLU-  29 - HN    ALA   34   8.06 +/- 0.50  19.561% * 10.1298% (0.41  1.00   0.02   0.02) =  32.139%  kept
          HN    GLN   30 - HN    ALA   34   6.06 +/- 0.57  46.217% *  2.6057% (0.11  1.00   0.02   1.45) =  19.533%  kept
          HN    VAL   18 - HN    ALA   34  13.39 +/- 1.52   4.932% * 15.4172% (0.63  1.00   0.02   0.02) =  12.333%  kept
          HN    ASP-  86 - HN    LEU   80   8.64 +/- 0.64  17.744% *  4.0782% (0.17  1.00   0.02   0.02) =  11.737%  kept
        T HN    ASP-  86 - HN    ALA   34  22.38 +/- 5.39   1.464% * 33.7193% (0.14 10.00   0.02   0.02) =   8.008%  kept
          HN    GLU-  29 - HN    LEU   80  18.27 +/- 6.09   3.940% * 12.2517% (0.50  1.00   0.02   0.02) =   7.830%  kept
          HN    VAL   18 - HN    LEU   80  18.46 +/- 4.10   2.101% * 18.6466% (0.76  1.00   0.02   0.02) =   6.353%  kept
          HN    GLN   30 - HN    LEU   80  17.85 +/- 5.82   4.042% *  3.1515% (0.13  1.00   0.02   0.02) =   2.066%  kept
    Distance limit 3.81 A violated in 16 structures by 1.93 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.79, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.72 +/- 0.09  97.190% * 98.3004% (0.54 10.00   4.79  21.27) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  23.65 +/- 4.74   0.217% *  1.1889% (0.65 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  16.13 +/- 3.52   0.754% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    LEU   80  16.93 +/- 2.43   0.521% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  16.07 +/- 2.85   0.591% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.31 +/- 5.06   0.142% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.20 +/- 3.72   0.447% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.09 +/- 2.56   0.138% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.936, support = 5.34, residual support = 41.1:
          HN    LYS+  81 - HN    LEU   80   3.68 +/- 0.50  79.218% * 96.2789% (0.94   5.35  41.17) =  99.839%  kept
          HE3   TRP   27 - HN    LEU   80  14.07 +/- 6.13   4.048% *  2.5091% (0.15   0.90   6.29) =   0.133%  kept
          QD    PHE   60 - HN    LEU   80  14.02 +/- 3.96   2.574% *  0.3258% (0.85   0.02   0.02) =   0.011%
          HE3   TRP   27 - HN    ALA   34   8.41 +/- 1.13   9.850% *  0.0463% (0.12   0.02   0.02) =   0.006%
          QD    PHE   60 - HN    ALA   34  16.70 +/- 3.02   1.423% *  0.2694% (0.70   0.02   0.02) =   0.005%
          HN    LYS+  66 - HN    ALA   34  17.00 +/- 2.59   1.542% *  0.1235% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  17.99 +/- 2.38   0.985% *  0.1493% (0.39   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    ALA   34  24.26 +/- 5.70   0.361% *  0.2977% (0.78   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.492, support = 1.72, residual support = 2.47:
          HG2   LYS+ 111 - HN    GLU- 114   5.57 +/- 0.92  34.653% * 51.6019% (0.73   0.93   1.64) =  58.030%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.25 +/- 0.42  36.997% * 33.9227% (0.15   2.89   3.71) =  40.729%  kept
          HB3   PRO   93 - HN    GLU- 114  10.33 +/- 3.35  14.583% *  1.1619% (0.76   0.02   0.02) =   0.550%  kept
          HG3   LYS+ 106 - HN    GLU- 114  13.44 +/- 1.16   2.474% *  2.4333% (0.22   0.14   0.02) =   0.195%  kept
          HB3   ASP-  44 - HN    GLU- 114  14.46 +/- 3.15   2.617% *  1.5204% (1.00   0.02   0.02) =   0.129%  kept
          HB2   LEU   63 - HN    GLU- 114  14.80 +/- 2.36   2.298% *  1.4903% (0.98   0.02   0.02) =   0.111%  kept
          QB    ALA   84 - HN    GLU- 114  15.67 +/- 3.30   2.597% *  1.2174% (0.80   0.02   0.02) =   0.103%  kept
          QB    ALA  124 - HN    GLU- 114  16.68 +/- 0.99   1.179% *  1.4673% (0.97   0.02   0.02) =   0.056%
          HG    LEU   98 - HN    GLU- 114  18.98 +/- 1.95   0.834% *  1.3635% (0.90   0.02   0.02) =   0.037%
          HB3   LEU   80 - HN    GLU- 114  22.15 +/- 3.81   0.729% *  1.4035% (0.92   0.02   0.02) =   0.033%
          HB2   LEU   31 - HN    GLU- 114  26.26 +/- 2.34   0.320% *  1.2174% (0.80   0.02   0.02) =   0.013%
          HG2   LYS+  99 - HN    GLU- 114  23.09 +/- 1.51   0.459% *  0.6816% (0.45   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HN    GLU- 114  28.13 +/- 2.69   0.261% *  0.5186% (0.34   0.02   0.02) =   0.004%
    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        :    466
      with multiple volume contributions     :    498
      eliminated by violation filter         :     35
 
    Peaks:
      selected                               :   1095
      without assignment                     :     49
      with assignment                        :   1046
      with unique assignment                 :    574
      with multiple assignment               :    472
      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             :    917
 
    Atoms with eliminated volume contribution > 2.5:
    HN    LEU   80       2.8
 
    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 = 0.729, support = 3.59, residual support = 46.6:
    * O T HG2   MET   11 - HA    MET   11   3.67 +/- 0.53  30.963% * 70.8328% (1.00  10.0 10.00   4.00  47.37) =  55.438%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.73 +/- 0.16  63.490% * 27.7351% (0.39  10.0 10.00   3.09  45.73) =  44.511%  kept
        T HB2   GLU-  14 - HA    MET   11   9.80 +/- 1.68   2.105% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.038%
        T HG2   MET   11 - HA    GLU-  14  10.37 +/- 1.33   1.721% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.012%
          HB2   PRO   68 - HA    GLU-  14  14.00 +/- 3.68   0.917% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.04 +/- 7.32   0.054% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.65 +/- 3.61   0.235% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.94 +/- 5.08   0.081% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.38 +/- 4.22   0.056% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  25.45 +/- 2.73   0.090% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.98 +/- 5.50   0.035% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.69 +/- 4.44   0.049% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  31.32 +/- 3.53   0.047% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.95 +/- 2.62   0.072% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.33 +/- 4.23   0.034% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  30.59 +/- 3.41   0.051% *  0.0038% (0.05   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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.812, support = 3.73, residual support = 46.9:
    * O T HG3   MET   11 - HA    MET   11   3.15 +/- 0.62  43.551% * 72.0852% (1.00  10.0 10.00   4.00  47.37) =  70.097%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.92 +/- 0.14  49.997% * 26.7596% (0.37  10.0 10.00   3.09  45.73) =  29.873%  kept
        T HB3   GLU-  14 - HA    MET   11   9.95 +/- 1.35   1.468% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.022%
        T HG3   MET   11 - HA    GLU-  14  10.86 +/- 1.32   1.123% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU   40 - HA    GLU-  14  14.80 +/- 3.93   1.887% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  20.88 +/- 3.81   0.265% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  18.08 +/- 3.97   0.407% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.88 +/- 2.43   0.815% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.83 +/- 4.26   0.071% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.39 +/- 3.40   0.128% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.05 +/- 4.41   0.059% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  24.05 +/- 3.11   0.108% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.68 +/- 5.64   0.053% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.27 +/- 3.50   0.068% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.792, support = 3.76, residual support = 46.0:
    * O T HA    MET   11 - HG2   MET   11   3.67 +/- 0.53  21.275% * 79.8867% (1.00  10.0 10.00   4.00  47.37) =  74.193%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.73 +/- 0.16  42.824% * 12.2988% (0.15  10.0 10.00   3.09  45.73) =  22.992%  kept
          HA    ALA   12 - HG2   MET   11   5.06 +/- 1.00  10.204% *  6.1121% (0.53   1.0  1.00   2.91  12.06) =   2.723%  kept
          HA    ALA   12 - HB2   GLU-  14   6.84 +/- 1.24   4.319% *  0.2625% (0.20   1.0  1.00   0.33   0.02) =   0.049%
        T HA    MET   11 - HB2   GLU-  14   9.80 +/- 1.68   1.429% *  0.2992% (0.37   1.0 10.00   0.02   0.02) =   0.019%
        T HA    GLU-  14 - HG2   MET   11  10.37 +/- 1.33   1.118% *  0.3284% (0.41   1.0 10.00   0.02   0.02) =   0.016%
          HA    THR   39 - HB2   GLU-  14  13.90 +/- 4.80   6.021% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.004%
          HA1   GLY   51 - HB2   ARG+  54   5.55 +/- 0.85   6.839% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ARG+  54  15.02 +/- 2.85   1.180% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  19.62 +/- 5.25   0.219% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.35 +/- 4.06   0.068% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  31.34 +/- 5.68   0.053% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.19 +/- 5.30   0.052% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.64 +/- 3.04   0.127% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.21 +/- 4.87   0.113% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  29.31 +/- 5.39   0.067% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.04 +/- 7.32   0.037% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.86 +/- 1.01   2.210% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.30 +/- 2.70   0.341% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.06 +/- 4.12   0.087% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.07 +/- 5.73   0.029% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.94 +/- 5.08   0.055% *  0.0318% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.95 +/- 3.98   0.196% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  34.46 +/- 6.12   0.036% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.91 +/- 3.34   0.081% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.30 +/- 4.23   0.251% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.36 +/- 5.04   0.283% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.41 +/- 3.34   0.035% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  37.15 +/- 7.32   0.031% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.23 +/- 3.99   0.042% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.74 +/- 3.14   0.073% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  31.43 +/- 5.01   0.041% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  31.02 +/- 4.65   0.039% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  27.32 +/- 5.31   0.110% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  24.53 +/- 3.65   0.077% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.92 +/- 6.01   0.037% *  0.0041% (0.05   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 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.864, support = 3.29, residual support = 46.3:
    * O T QB    MET   11 - HG2   MET   11   2.26 +/- 0.11  46.699% * 66.1248% (1.00  10.0 10.00   3.31  47.37) =  82.680%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.36 +/- 0.16  41.498% * 14.0193% (0.21  10.0 10.00   3.29  45.73) =  15.577%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.62 +/- 0.62   3.555% * 17.9811% (0.27   1.0 10.00   2.40   1.75) =   1.712%  kept
        T QB    MET   11 - HB2   GLU-  14   8.86 +/- 1.66   1.330% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  14 - HG2   MET   11   9.38 +/- 1.31   0.804% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   GLU-  36 - HG2   MET   11  16.43 +/- 4.78   1.085% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.007%
        T QG    GLU-  15 - HG2   MET   11  11.69 +/- 1.56   0.416% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLU-  36 - HB2   GLU-  14  13.53 +/- 2.88   0.382% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   ARG+  54  14.31 +/- 3.18   1.471% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  14.39 +/- 2.92   0.465% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.30 +/- 3.94   0.116% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.42 +/- 4.24   0.051% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.29 +/- 1.59   0.210% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.29 +/- 6.58   0.032% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.69 +/- 4.07   0.048% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.79 +/- 4.62   0.048% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.90 +/- 2.95   0.110% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.28 +/- 4.01   0.597% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  28.38 +/- 5.96   0.050% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  33.24 +/- 5.11   0.026% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.94 +/- 5.32   0.022% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.50 +/- 4.33   0.165% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  36.33 +/- 6.53   0.019% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.15 +/- 4.91   0.046% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.20 +/- 3.12   0.163% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  22.73 +/- 3.67   0.062% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.97 +/- 1.74   0.192% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.98 +/- 3.98   0.016% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  18.47 +/- 4.45   0.196% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.56 +/- 3.67   0.031% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  27.87 +/- 3.34   0.030% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.86 +/- 3.28   0.019% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.59 +/- 3.64   0.046% *  0.0038% (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 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 = 3.73, residual support = 46.9:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  48.549% * 72.5786% (1.00  10.0 10.00   3.99  47.37) =  73.836%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  48.549% * 25.7103% (0.35  10.0 10.00   3.00  45.73) =  26.156%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.40 +/- 1.68   0.344% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   MET   11 - HB2   GLU-  14  10.77 +/- 1.90   0.341% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HB2   GLU-  14  15.00 +/- 4.24   1.066% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  31.22 +/- 4.28   0.011% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  24.17 +/- 3.79   0.024% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  18.68 +/- 4.39   0.112% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  28.75 +/- 5.01   0.017% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  21.36 +/- 4.26   0.046% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  35.73 +/- 7.95   0.012% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.35 +/- 2.46   0.178% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  29.40 +/- 4.96   0.016% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.86 +/- 1.56   0.212% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  23.04 +/- 3.69   0.031% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.37 +/- 3.89   0.270% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.36 +/- 3.72   0.028% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.17 +/- 2.80   0.055% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  24.30 +/- 5.83   0.112% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  36.23 +/- 5.62   0.008% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.99 +/- 4.15   0.016% *  0.0076% (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 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.872, support = 3.85, residual support = 46.4:
    * O T HA    MET   11 - HG3   MET   11   3.15 +/- 0.62  36.492% * 80.7085% (1.00  10.0 10.00   4.00  47.37) =  84.026%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.92 +/- 0.14  40.925% * 11.7800% (0.15  10.0 10.00   3.09  45.73) =  13.754%  kept
          HA    ALA   12 - HG3   MET   11   5.06 +/- 1.05  12.370% *  6.2274% (0.53   1.0  1.00   2.93  12.06) =   2.198%  kept
        T HA    MET   11 - HB3   GLU-  14   9.95 +/- 1.35   1.203% *  0.2865% (0.36   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU-  14 - HG3   MET   11  10.86 +/- 1.32   0.918% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA   12 - HB3   GLU-  14   7.01 +/- 1.13   3.539% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   39 - HB3   GLU-  14  13.36 +/- 4.71   3.201% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HG3   MET   11  20.10 +/- 5.19   0.248% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  20.28 +/- 2.78   0.168% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  27.80 +/- 3.85   0.058% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  31.61 +/- 5.49   0.049% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  29.66 +/- 4.99   0.051% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  22.73 +/- 4.60   0.140% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  24.83 +/- 3.72   0.109% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  29.47 +/- 5.13   0.062% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  36.37 +/- 5.49   0.028% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.70 +/- 3.20   0.101% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  34.75 +/- 5.90   0.035% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  30.06 +/- 3.10   0.042% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.42 +/- 7.48   0.031% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  28.87 +/- 3.76   0.051% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  31.81 +/- 5.13   0.041% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.85 +/- 4.49   0.047% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  24.35 +/- 3.66   0.094% *  0.0044% (0.05   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 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.831, support = 3.28, residual support = 45.8:
    * O T QB    MET   11 - HG3   MET   11   2.49 +/- 0.10  39.944% * 67.3911% (1.00  10.0 10.00   3.31  47.37) =  78.685%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.36 +/- 0.15  46.579% * 13.5457% (0.20  10.0 10.00   3.29  45.73) =  18.443%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.44 +/- 0.97   5.551% * 17.3737% (0.26   1.0 10.00   2.23   1.75) =   2.819%  kept
        T HG3   GLU-  36 - HG3   MET   11  16.71 +/- 5.32   3.665% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.027%
        T QB    MET   11 - HB3   GLU-  14   8.97 +/- 1.58   1.284% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  14 - HG3   MET   11   9.82 +/- 1.48   0.795% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  15 - HG3   MET   11  12.19 +/- 1.27   0.377% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLU-  36 - HB3   GLU-  14  12.96 +/- 2.71   0.630% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HB3   GLU-  14  14.00 +/- 2.64   0.487% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  21.73 +/- 3.80   0.109% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.14 +/- 3.88   0.051% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  18.56 +/- 2.75   0.135% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  28.56 +/- 5.71   0.047% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.82 +/- 4.68   0.071% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  33.25 +/- 5.05   0.023% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  36.73 +/- 6.45   0.025% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  22.47 +/- 3.45   0.068% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  27.23 +/- 3.49   0.037% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  34.42 +/- 3.80   0.017% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  27.61 +/- 3.04   0.035% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  32.36 +/- 3.26   0.020% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  24.39 +/- 3.48   0.051% *  0.0037% (0.05   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 46.9:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.482% * 71.8618% (1.00  10.0 10.00   3.99  47.37) =  73.836%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.482% * 25.4564% (0.35  10.0 10.00   3.00  45.73) =  26.156%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.77 +/- 1.90   0.347% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   MET   11 - HB3   GLU-  14  10.40 +/- 1.68   0.351% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   PRO   58 - HG3   MET   11  33.07 +/- 4.35   0.009% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  37.88 +/- 5.98   0.007% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  35.73 +/- 7.95   0.013% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  14.45 +/- 3.51   0.161% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  21.63 +/- 3.94   0.056% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  28.75 +/- 5.01   0.018% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  25.35 +/- 3.26   0.020% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  30.97 +/- 3.51   0.010% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  33.65 +/- 4.25   0.008% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  26.42 +/- 3.28   0.018% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  37.38 +/- 4.56   0.006% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.85 +/- 3.37   0.011% *  0.0035% (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 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 = 0.871, support = 3.37, residual support = 46.1:
    * O T HA    MET   11 - QB    MET   11   2.36 +/- 0.16  34.373% * 74.9978% (1.00  10.0 10.00   3.37  47.37) =  84.703%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.28 +/- 0.32  38.859% * 10.0058% (0.13  10.0 10.00   3.58  45.73) =  12.775%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.51 +/- 0.79   6.187% *  7.4332% (0.10   1.0 10.00   2.56   1.75) =   1.511%  kept
          HA    ALA   12 - QB    MET   11   4.12 +/- 0.19   6.600% *  4.5517% (0.53   1.0  1.00   2.31  12.06) =   0.987%  kept
        T HA    GLU-  14 - QB    MET   11   8.87 +/- 1.09   0.741% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T HA    MET   11 - QG    GLU-  14   9.07 +/- 1.33   0.802% *  0.2434% (0.32   1.0 10.00   0.02   0.02) =   0.006%
        T HA    MET   11 - QG    GLU-  15  11.31 +/- 1.29   0.369% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QB    MET   11  23.96 +/- 3.61   0.043% *  0.7483% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.27 +/- 1.00   2.412% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  18.85 +/- 2.84   0.086% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG    GLU-  14  13.33 +/- 4.43   1.725% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  25.53 +/- 5.03   0.044% *  0.4246% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.67 +/- 2.37   0.091% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG    GLU-  15   9.90 +/- 2.99   1.588% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  15.01 +/- 4.53   2.625% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.09 +/- 4.39   0.200% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.24 +/- 1.08   0.658% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  16.12 +/- 4.52   0.531% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  25.56 +/- 4.49   0.036% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  27.41 +/- 5.08   0.032% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.29 +/- 1.31   0.482% *  0.0045% (0.06   1.0  1.00   0.02   0.78) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  13.46 +/- 2.94   0.492% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.52 +/- 4.47   0.084% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.13 +/- 3.42   0.083% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.60 +/- 4.99   0.018% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  27.67 +/- 3.66   0.025% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.55 +/- 3.74   0.054% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.31 +/- 3.27   0.051% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.52 +/- 3.39   0.057% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.15 +/- 5.36   0.022% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.68 +/- 4.07   0.071% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.53 +/- 3.23   0.024% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  32.77 +/- 6.26   0.020% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.75 +/- 2.90   0.052% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.58 +/- 2.67   0.026% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.98 +/- 1.92   0.046% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.56 +/- 3.71   0.028% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  27.72 +/- 4.21   0.027% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  27.67 +/- 4.45   0.031% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.46 +/- 3.07   0.031% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  20.85 +/- 2.79   0.077% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  27.51 +/- 3.70   0.031% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  22.05 +/- 3.22   0.054% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.22 +/- 2.43   0.021% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  30.37 +/- 4.08   0.018% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  28.37 +/- 5.51   0.026% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  35.18 +/- 4.04   0.015% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  27.95 +/- 4.55   0.029% *  0.0014% (0.02   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 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 = 0.84, support = 3.29, residual support = 46.4:
    * O T HG2   MET   11 - QB    MET   11   2.26 +/- 0.11  46.378% * 62.8007% (1.00  10.0 10.00   3.31  47.37) =  76.537%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.36 +/- 0.16  41.226% * 20.3350% (0.32  10.0 10.00   3.29  45.73) =  22.030%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.62 +/- 0.62   3.531% * 15.1066% (0.24   1.0 10.00   2.40   1.75) =   1.402%  kept
        T HB2   GLU-  14 - QB    MET   11   8.86 +/- 1.66   1.321% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.022%
        T HG2   MET   11 - QG    GLU-  14   9.38 +/- 1.31   0.799% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   MET   11 - HG3   GLU-  36  16.43 +/- 4.78   1.084% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - QG    GLU-  15  11.69 +/- 1.56   0.413% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HG3   GLU-  36  13.53 +/- 2.88   0.381% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - QG    GLU-  15  11.03 +/- 4.15   2.107% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.29 +/- 6.58   0.032% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.13 +/- 3.62   0.587% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  17.36 +/- 6.27   1.362% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  18.57 +/- 3.47   0.136% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  28.58 +/- 4.18   0.030% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  25.79 +/- 4.62   0.048% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.84 +/- 3.56   0.028% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  25.42 +/- 4.24   0.051% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.31 +/- 3.66   0.016% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  33.09 +/- 5.16   0.019% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.88 +/- 2.82   0.053% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.73 +/- 1.98   0.057% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  29.22 +/- 4.07   0.027% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  27.92 +/- 3.67   0.030% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  27.32 +/- 3.06   0.031% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  24.10 +/- 3.17   0.047% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  33.24 +/- 5.11   0.026% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  23.19 +/- 2.38   0.048% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  32.46 +/- 4.31   0.020% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.41 +/- 2.35   0.026% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  27.51 +/- 3.45   0.030% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.94 +/- 2.77   0.034% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.19 +/- 3.48   0.024% *  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 = 0.804, support = 3.28, residual support = 45.9:
    * O T HG3   MET   11 - QB    MET   11   2.49 +/- 0.10  38.142% * 64.2177% (1.00  10.0 10.00   3.31  47.37) =  71.929%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.15  44.483% * 19.7139% (0.31  10.0 10.00   3.29  45.73) =  25.752%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.44 +/- 0.97   5.301% * 14.6452% (0.23   1.0 10.00   2.23   1.75) =   2.280%  kept
        T HB3   GLU-  14 - QB    MET   11   8.97 +/- 1.58   1.227% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.022%
        T HG3   MET   11 - HG3   GLU-  36  16.71 +/- 5.32   3.501% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   MET   11 - QG    GLU-  14   9.82 +/- 1.48   0.759% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   MET   11 - QG    GLU-  15  12.19 +/- 1.27   0.360% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   GLU-  14 - HG3   GLU-  36  12.96 +/- 2.71   0.602% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG    GLU-  14  14.22 +/- 3.88   1.511% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.13 +/- 3.80   0.318% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.99 +/- 2.46   0.701% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.97 +/- 3.98   0.058% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  18.62 +/- 3.59   0.167% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.72 +/- 4.29   0.052% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  10.93 +/- 1.92   0.838% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.28 +/- 3.10   0.038% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.75 +/- 2.33   0.438% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.03 +/- 2.57   0.585% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.19 +/- 3.59   0.091% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.64 +/- 3.64   0.034% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.50 +/- 2.65   0.091% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.66 +/- 3.27   0.071% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  31.88 +/- 5.14   0.032% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.90 +/- 1.35   0.405% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.43 +/- 1.97   0.075% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  22.08 +/- 2.61   0.062% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  27.43 +/- 4.23   0.036% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.32 +/- 2.55   0.021% *  0.0022% (0.03   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 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 = 12.3:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  98.182% * 99.1918% (0.82  10.0 10.00   2.00  12.35) =  99.998%  kept
          HG3   LYS+  33 - HA    ALA   12  14.17 +/- 3.97   0.676% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ALA   12  18.43 +/- 3.88   0.242% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  20.68 +/- 3.82   0.162% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.34 +/- 2.77   0.120% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  19.29 +/- 3.96   0.233% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.07 +/- 3.61   0.122% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.75 +/- 5.27   0.052% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.27 +/- 3.76   0.041% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.70 +/- 4.16   0.027% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.59 +/- 4.50   0.045% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  28.29 +/- 5.26   0.061% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  30.75 +/- 3.53   0.039% *  0.0142% (0.12   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 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.816, support = 2.0, residual support = 12.3:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  80.453% * 94.5976% (0.82  10.0 10.00   2.00  12.35) =  99.215%  kept
          HA    MET   11 - QB    ALA   12   3.84 +/- 0.11  13.806% *  3.8888% (0.24   1.0  1.00   2.86  12.06) =   0.700%  kept
          HA    GLU-  14 - QB    ALA   12   5.91 +/- 0.83   5.290% *  1.2230% (0.89   1.0  1.00   0.24   0.02) =   0.084%
          HA    LEU  104 - QB    ALA   12  24.14 +/- 4.68   0.101% *  0.1032% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  26.87 +/- 4.17   0.050% *  0.0978% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.64 +/- 2.33   0.102% *  0.0243% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  23.79 +/- 3.57   0.096% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  25.62 +/- 3.90   0.060% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.03 +/- 3.41   0.041% *  0.0191% (0.17   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 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 = 0.859, support = 2.11, residual support = 12.8:
    * O T QB    SER   13 - HA    SER   13   2.42 +/- 0.15  48.690% * 63.6131% (1.00  10.0 10.00   1.93   6.15) =  71.525%  kept
      O T HB3   SER   37 - HA    SER   37   2.66 +/- 0.27  37.963% * 32.1552% (0.51  10.0 10.00   2.58  29.75) =  28.189%  kept
          HB    THR   39 - HA    SER   37   5.62 +/- 0.90   5.391% *  2.0253% (0.53   1.0  1.00   1.19   4.23) =   0.252%  kept
        T HB3   SER   37 - HA    SER   13  12.26 +/- 3.89   1.185% *  0.6018% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T QB    SER   13 - HA    SER   37  12.44 +/- 3.83   1.718% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.013%
          HB    THR   39 - HA    SER   13  13.79 +/- 4.52   0.709% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    THR   46   9.97 +/- 1.34   0.817% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  24.06 +/- 2.55   0.059% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.24 +/- 1.68   0.053% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.54 +/- 2.40   0.595% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.44 +/- 1.56   1.044% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  13.53 +/- 3.25   0.544% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.34 +/- 1.65   0.183% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  11.09 +/- 1.63   0.608% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.68 +/- 1.54   0.072% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.66 +/- 2.54   0.027% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.34 +/- 3.26   0.073% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.26 +/- 3.93   0.026% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.58 +/- 3.52   0.035% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.06 +/- 1.91   0.038% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  29.99 +/- 5.31   0.034% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.76 +/- 1.91   0.085% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.44 +/- 4.06   0.024% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.00 +/- 3.64   0.027% *  0.0116% (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 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.862, support = 2.12, residual support = 13.0:
    * O T HA    SER   13 - QB    SER   13   2.42 +/- 0.15  45.703% * 63.8850% (1.00  10.0 10.00   1.93   6.15) =  70.758%  kept
      O T HA    SER   37 - HB3   SER   37   2.66 +/- 0.27  35.638% * 33.8056% (0.53  10.0 10.00   2.58  29.75) =  29.197%  kept
        T HA    SER   13 - HB3   SER   37  12.26 +/- 3.89   1.115% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.016%
        T HA    SER   37 - QB    SER   13  12.44 +/- 3.83   1.616% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.014%
          HA    GLU-  15 - QB    SER   13   6.81 +/- 0.87   2.500% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - HB3   SER   37   8.19 +/- 1.42   2.445% *  0.0565% (0.88   1.0  1.00   0.02   0.70) =   0.003%
          HA    GLU-  15 - HB3   SER   37   9.41 +/- 2.92   1.801% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QB    SER   13  10.50 +/- 1.90   1.586% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QB    SER   13  15.33 +/- 3.34   0.567% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.66 +/- 0.52   2.410% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.06 +/- 2.55   0.055% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  12.37 +/- 2.56   0.597% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.24 +/- 1.68   0.050% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  12.12 +/- 5.28   2.254% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  14.64 +/- 3.72   0.902% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.55 +/- 3.04   0.073% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.98 +/- 3.08   0.068% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  21.98 +/- 6.46   0.142% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  18.87 +/- 4.96   0.320% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  24.51 +/- 5.59   0.068% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  26.31 +/- 3.39   0.045% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.57 +/- 3.62   0.043% *  0.0149% (0.23   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 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 = 0.902, support = 3.23, residual support = 46.0:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.73 +/- 0.16  61.419% * 70.8449% (1.00  10.0 10.00   3.09  45.73) =  83.933%  kept
      O T HG2   MET   11 - HA    MET   11   3.67 +/- 0.53  29.961% * 27.7398% (0.39  10.0 10.00   4.00  47.37) =  16.032%  kept
        T HG2   MET   11 - HA    GLU-  14  10.37 +/- 1.33   1.664% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.023%
        T HB2   GLU-  14 - HA    MET   11   9.80 +/- 1.68   2.037% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.011%
          QB    GLN   32 - HA    GLU-  14  13.96 +/- 3.61   2.608% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    GLU-  14  14.00 +/- 3.68   0.888% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.94 +/- 5.08   0.078% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  25.45 +/- 2.73   0.087% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  31.32 +/- 3.53   0.045% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  16.14 +/- 4.51   0.727% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.04 +/- 7.32   0.052% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.65 +/- 3.61   0.227% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.95 +/- 2.62   0.070% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.38 +/- 4.22   0.054% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.98 +/- 5.50   0.034% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.69 +/- 4.44   0.047% *  0.0104% (0.15   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 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.882, support = 3.43, residual support = 41.0:
    * O T QG    GLU-  14 - HA    GLU-  14   2.28 +/- 0.32  46.753% * 45.0668% (1.00  10.0 10.00   3.58  45.73) =  74.017%  kept
      O T QB    MET   11 - HA    MET   11   2.36 +/- 0.16  41.503% * 10.0127% (0.22  10.0 10.00   3.37  47.37) =  14.598%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.51 +/- 0.79   7.439% * 43.4925% (0.97   1.0 10.00   2.56   1.75) =  11.365%  kept
        T QB    MET   11 - HA    GLU-  14   8.87 +/- 1.09   0.896% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  14 - HA    MET   11   9.07 +/- 1.33   0.971% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HA    MET   11  11.31 +/- 1.29   0.445% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  44 - HA    GLU-  14  19.18 +/- 2.37   0.091% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  14  14.52 +/- 2.80   0.322% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU-  14  14.92 +/- 4.26   1.019% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.23 +/- 3.69   0.043% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  17.46 +/- 5.44   0.277% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.77 +/- 3.22   0.081% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  24.54 +/- 3.11   0.041% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.86 +/- 3.27   0.027% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  32.30 +/- 5.11   0.020% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.69 +/- 3.96   0.030% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.48 +/- 3.61   0.019% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  35.97 +/- 6.30   0.024% *  0.0039% (0.09   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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.934, support = 3.15, residual support = 45.4:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.73 +/- 0.16  50.016% * 80.7405% (1.00  10.0 10.00   3.09  45.73) =  91.705%  kept
      O T HA    MET   11 - HG2   MET   11   3.67 +/- 0.53  24.656% * 12.4302% (0.15  10.0 10.00   4.00  47.37) =   6.960%  kept
          HA    ALA   12 - HG2   MET   11   5.06 +/- 1.00  11.879% *  4.3098% (0.37   1.0  1.00   2.91  12.06) =   1.163%  kept
          HA    ALA   12 - HB2   GLU-  14   6.84 +/- 1.24   4.992% *  1.3200% (0.98   1.0  1.00   0.33   0.02) =   0.150%  kept
        T HA    MET   11 - HB2   GLU-  14   9.80 +/- 1.68   1.661% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.013%
        T HA    GLU-  14 - HG2   MET   11  10.37 +/- 1.33   1.308% *  0.3024% (0.37   1.0 10.00   0.02   0.02) =   0.009%
          HA    LEU  104 - HB2   GLU-  14  25.03 +/- 5.42   0.131% *  0.0647% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.94 +/- 5.08   0.064% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.02 +/- 2.85   1.355% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.64 +/- 3.04   0.147% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.23 +/- 3.99   0.049% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.36 +/- 5.04   0.325% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  21.81 +/- 5.40   1.832% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.21 +/- 4.87   0.141% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.06 +/- 4.12   0.101% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.04 +/- 7.32   0.043% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.30 +/- 2.70   0.398% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  34.46 +/- 6.12   0.042% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.17 +/- 5.59   0.046% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.41 +/- 3.34   0.041% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.35 +/- 4.06   0.079% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.95 +/- 3.98   0.225% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  25.57 +/- 3.47   0.077% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  27.34 +/- 3.86   0.062% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  31.34 +/- 5.68   0.062% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.92 +/- 6.01   0.043% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.19 +/- 5.30   0.061% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.07 +/- 5.73   0.034% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.74 +/- 3.14   0.084% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  33.05 +/- 5.83   0.046% *  0.0041% (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 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 = 0.855, support = 3.24, residual support = 43.3:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.36 +/- 0.16  41.486% * 45.4322% (1.00  10.0 10.00   3.29  45.73) =  75.673%  kept
      O T QB    MET   11 - HG2   MET   11   2.26 +/- 0.11  46.676% *  9.6322% (0.21  10.0 10.00   3.31  47.37) =  18.051%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.62 +/- 0.62   3.551% * 43.8452% (0.97   1.0 10.00   2.40   1.75) =   6.251%  kept
        T QB    MET   11 - HB2   GLU-  14   8.86 +/- 1.66   1.329% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLU-  14 - HG2   MET   11   9.38 +/- 1.31   0.803% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.005%
        T QG    GLU-  15 - HG2   MET   11  11.69 +/- 1.56   0.416% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HB2   GLU-  14  14.16 +/- 4.39   1.535% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  14.39 +/- 2.92   0.465% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   ARG+  54  14.31 +/- 3.18   1.475% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.29 +/- 1.59   0.210% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.90 +/- 2.95   0.110% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  18.02 +/- 5.82   0.654% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.42 +/- 4.24   0.051% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.79 +/- 4.62   0.048% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.30 +/- 3.94   0.116% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.59 +/- 3.64   0.046% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.56 +/- 3.67   0.031% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.29 +/- 6.58   0.032% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.50 +/- 4.33   0.165% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.20 +/- 3.12   0.163% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.69 +/- 4.07   0.048% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  13.70 +/- 4.31   0.464% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.42 +/- 4.42   0.036% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.94 +/- 5.32   0.022% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.86 +/- 3.28   0.019% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  36.56 +/- 6.34   0.018% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  29.24 +/- 4.00   0.031% *  0.0021% (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 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.902, support = 3.44, residual support = 40.8:
    * O T HA    GLU-  14 - QG    GLU-  14   2.28 +/- 0.32  42.180% * 48.1430% (1.00  10.0 10.00   3.58  45.73) =  79.057%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.51 +/- 0.79   6.715% * 42.3585% (0.88   1.0 10.00   2.56   1.75) =  11.073%  kept
      O T HA    MET   11 - QB    MET   11   2.36 +/- 0.16  37.407% *  6.4230% (0.13  10.0 10.00   3.37  47.37) =   9.354%  kept
          HA    ALA   12 - QB    MET   11   4.12 +/- 0.19   7.177% *  1.7666% (0.32   1.0  1.00   2.31  12.06) =   0.494%  kept
        T HA    MET   11 - QG    GLU-  14   9.07 +/- 1.33   0.874% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.007%
        T HA    GLU-  14 - QB    MET   11   8.87 +/- 1.09   0.806% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA   12 - QG    GLU-  14   6.27 +/- 1.00   2.638% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T HA    MET   11 - QG    GLU-  15  11.31 +/- 1.29   0.401% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   12 - QG    GLU-  15   9.24 +/- 1.08   0.715% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  18.85 +/- 2.84   0.094% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.67 +/- 2.37   0.099% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  104 - QG    GLU-  14  23.10 +/- 5.03   0.100% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.96 +/- 3.61   0.047% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  20.40 +/- 3.94   0.076% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.56 +/- 3.71   0.031% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.46 +/- 3.07   0.033% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.52 +/- 4.47   0.092% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.55 +/- 3.74   0.059% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.13 +/- 3.42   0.090% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.31 +/- 3.27   0.056% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  27.33 +/- 4.79   0.033% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.53 +/- 3.23   0.026% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.58 +/- 2.67   0.028% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.15 +/- 5.36   0.023% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  24.92 +/- 3.68   0.039% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  23.50 +/- 2.56   0.042% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  27.41 +/- 5.08   0.035% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  25.56 +/- 4.49   0.039% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.60 +/- 4.99   0.020% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  28.93 +/- 5.06   0.026% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.857, support = 3.21, residual support = 42.7:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.15  47.697% * 45.1588% (1.00  10.0 10.00   3.29  45.73) =  73.055%  kept
      O T HG3   MET   11 - QB    MET   11   2.49 +/- 0.10  40.975% * 13.8631% (0.31  10.0 10.00   3.31  47.37) =  19.266%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.44 +/- 0.97   5.679% * 39.7329% (0.88   1.0 10.00   2.23   1.75) =   7.654%  kept
        T HG3   MET   11 - QG    GLU-  14   9.82 +/- 1.48   0.817% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   GLU-  14 - QB    MET   11   8.97 +/- 1.58   1.315% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   MET   11 - QG    GLU-  15  12.19 +/- 1.27   0.386% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU   40 - QG    GLU-  14  14.22 +/- 3.88   1.619% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG    GLU-  15  10.99 +/- 2.46   0.751% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.97 +/- 3.98   0.062% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.19 +/- 3.59   0.098% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.50 +/- 2.65   0.097% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.28 +/- 3.10   0.041% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  18.62 +/- 3.59   0.179% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.66 +/- 3.27   0.076% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.43 +/- 1.97   0.081% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.72 +/- 4.29   0.056% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.64 +/- 3.64   0.037% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  31.88 +/- 5.14   0.035% *  0.0023% (0.05   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 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 = 0.993, support = 2.23, residual support = 8.72:
    * O T QG    GLU-  15 - HA    GLU-  15   2.92 +/- 0.59  56.648% * 49.8424% (1.00  10.0 10.00   2.15  10.30) =  81.546%  kept
        T QG    GLU-  14 - HA    GLU-  15   5.16 +/- 0.76  13.228% * 48.1014% (0.97   1.0 10.00   2.62   1.75) =  18.377%  kept
        T QG    GLU-  15 - HA    LEU   40  11.38 +/- 2.35   1.569% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.018%
        T QG    GLU-  14 - HA    LEU   40  14.66 +/- 3.73   1.605% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.018%
        T QB    MET   11 - HA    GLU-  15  11.10 +/- 1.52   1.417% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.015%
          HB3   PHE   72 - HA    LEU   40   7.37 +/- 1.72   6.070% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.007%
        T QG    GLU-  15 - HA    ASN   35  11.28 +/- 2.27   1.909% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.005%
        T QB    MET   11 - HA    LEU   40  18.86 +/- 3.59   0.380% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   72 - HA    GLU-  15  11.18 +/- 2.71   2.397% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HA    GLU-  15  12.92 +/- 3.67   7.191% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HA    ASN   35  15.09 +/- 3.06   0.773% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    ASN   35  17.10 +/- 3.90   0.575% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.67 +/- 1.29   0.921% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  16.45 +/- 2.73   0.502% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    LEU   40  16.28 +/- 3.02   0.623% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  12.62 +/- 2.06   1.020% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.55 +/- 1.59   0.215% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  21.68 +/- 3.45   0.249% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  25.56 +/- 3.22   0.123% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.12 +/- 1.92   0.633% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.67 +/- 1.69   0.287% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.51 +/- 0.28   0.891% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  22.92 +/- 3.17   0.281% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  25.10 +/- 2.29   0.119% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.92 +/- 2.27   0.164% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  28.29 +/- 3.67   0.111% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.83 +/- 3.20   0.097% *  0.0013% (0.03   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 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 3.08, residual support = 10.0:
    * O T QB    GLU-  15 - HA    GLU-  15   2.32 +/- 0.16  60.225% * 76.8334% (1.00  10.0 10.00   3.14  10.30) =  97.414%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.65 +/- 1.00   5.954% * 20.0633% (1.00   1.0 10.00   0.52   0.02) =   2.515%  kept
        T HB3   PRO   68 - HA    GLU-  15  12.28 +/- 3.79   1.635% *  0.6152% (0.80   1.0 10.00   0.02   0.02) =   0.021%
        T HB2   GLN   17 - HA    LEU   40  13.45 +/- 2.79   1.464% *  0.6213% (0.81   1.0 10.00   0.02   0.02) =   0.019%
        T QB    GLU-  15 - HA    LEU   40  10.79 +/- 2.34   1.017% *  0.6213% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - HA    LEU   40  13.26 +/- 1.30   0.366% *  0.4975% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   7.60 +/- 1.80   3.719% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    GLU-  15   9.85 +/- 2.61   3.693% *  0.0316% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    GLU-  15  13.42 +/- 3.69   3.042% *  0.0374% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HA    LEU   40   9.64 +/- 5.85   2.812% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLU-  15  18.60 +/- 6.03   1.842% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  11.15 +/- 2.17   0.818% *  0.0352% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  11.14 +/- 1.98   0.782% *  0.0255% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  10.45 +/- 2.11   1.427% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.12 +/- 2.22   1.505% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35  11.08 +/- 7.19   4.789% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  10.86 +/- 2.51   0.926% *  0.0142% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  17.93 +/- 2.98   0.181% *  0.0727% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  13.10 +/- 1.56   0.399% *  0.0302% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.95 +/- 1.95   0.107% *  0.0588% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  18.62 +/- 2.10   0.133% *  0.0402% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  24.06 +/- 2.82   0.075% *  0.0616% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.90 +/- 3.21   0.367% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.61 +/- 1.16   0.533% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.35 +/- 1.64   0.380% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  16.70 +/- 2.49   0.205% *  0.0142% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  25.49 +/- 3.02   0.054% *  0.0497% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  30.93 +/- 3.51   0.032% *  0.0762% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  17.83 +/- 3.31   0.188% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.34 +/- 0.84   0.765% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.65 +/- 0.92   0.124% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  18.14 +/- 2.85   0.219% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  23.29 +/- 3.59   0.071% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  24.50 +/- 2.11   0.057% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  30.71 +/- 2.95   0.033% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.42 +/- 2.54   0.060% *  0.0025% (0.03   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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.977, support = 2.22, residual support = 8.76:
    * O T HA    GLU-  15 - QG    GLU-  15   2.92 +/- 0.59  42.264% * 48.5133% (1.00  10.0 10.00   2.15  10.30) =  80.693%  kept
        T HA    GLU-  15 - QG    GLU-  14   5.16 +/- 0.76   9.704% * 42.6844% (0.88   1.0 10.00   2.62   1.75) =  16.302%  kept
          HA    SER   13 - QG    GLU-  14   4.99 +/- 0.53  11.355% *  5.4429% (0.88   1.0  1.00   2.55   6.61) =   2.432%  kept
          HA    SER   13 - QG    GLU-  15   6.48 +/- 1.10   7.657% *  1.6679% (1.00   1.0  1.00   0.69   0.02) =   0.503%  kept
        T HA    LEU   40 - QG    GLU-  15  11.38 +/- 2.35   1.129% *  0.4589% (0.95   1.0 10.00   0.02   0.02) =   0.020%
        T HA    LEU   40 - QG    GLU-  14  14.66 +/- 3.73   1.123% *  0.4038% (0.83   1.0 10.00   0.02   0.02) =   0.018%
        T HA    ASN   35 - QG    GLU-  15  11.28 +/- 2.27   1.370% *  0.1080% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   17 - QG    GLU-  15   6.65 +/- 0.75   4.677% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLU-  15 - QB    MET   11  11.10 +/- 1.52   1.035% *  0.1170% (0.24   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   37 - QG    GLU-  15   9.34 +/- 2.45   3.417% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG    GLU-  14   8.11 +/- 1.20   3.433% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - QB    MET   11   6.40 +/- 0.87   5.111% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QG    GLU-  14  15.09 +/- 3.06   0.554% *  0.0950% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - QB    MET   11  18.86 +/- 3.59   0.269% *  0.1106% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG    GLU-  14  12.89 +/- 3.46   1.171% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - QB    MET   11  17.10 +/- 3.90   0.414% *  0.0260% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  14.85 +/- 2.89   1.474% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  20.46 +/- 3.14   0.227% *  0.0426% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  19.27 +/- 1.93   0.196% *  0.0484% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  20.26 +/- 5.40   0.396% *  0.0165% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  15.36 +/- 4.53   0.814% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  21.84 +/- 3.69   0.190% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  21.53 +/- 2.98   0.136% *  0.0314% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  15.41 +/- 4.46   0.491% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.21 +/- 5.22   0.488% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  22.99 +/- 4.76   0.166% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  23.09 +/- 2.54   0.110% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  26.38 +/- 3.75   0.108% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  24.19 +/- 2.82   0.112% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  26.88 +/- 4.59   0.098% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  28.64 +/- 4.31   0.071% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  21.84 +/- 4.75   0.176% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.98 +/- 4.21   0.061% *  0.0029% (0.06   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 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 = 0.999, support = 4.09, residual support = 83.9:
    * O T HB2   GLN   17 - HA    GLN   17   2.59 +/- 0.23  74.228% * 89.0841% (1.00  10.0 10.00   4.12  84.59) =  99.227%  kept
        T QB    GLU-  15 - HA    GLN   17   6.61 +/- 0.39   4.839% *  9.7909% (1.00   1.0 10.00   0.22   0.02) =   0.711%  kept
        T HB3   PRO   68 - HA    GLN   17   9.55 +/- 4.70   4.880% *  0.7133% (0.80   1.0 10.00   0.02   0.02) =   0.052%
          HG2   PRO   68 - HA    GLN   17  10.59 +/- 4.71   6.263% *  0.0434% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLN   17   7.80 +/- 0.96   3.520% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    GLN   17  11.13 +/- 2.54   1.871% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   17  19.44 +/- 5.75   2.440% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  19.26 +/- 2.29   0.252% *  0.0843% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  11.86 +/- 2.07   1.215% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  22.42 +/- 2.78   0.153% *  0.0576% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  27.24 +/- 3.15   0.075% *  0.0883% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  19.33 +/- 3.94   0.264% *  0.0156% (0.18   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 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.5:
    * O T QG    GLN   17 - HA    GLN   17   2.81 +/- 0.54  86.656% * 98.5118% (0.76  10.0 10.00   4.31  84.59) =  99.885%  kept
        T HB    VAL   70 - HA    GLN   17   8.24 +/- 2.94   8.733% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.110%  kept
          HG2   GLU- 100 - HA    GLN   17  18.46 +/- 5.44   2.429% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLN   17  17.34 +/- 3.45   0.737% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  16.39 +/- 3.75   0.647% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLN   17  18.42 +/- 2.31   0.408% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  19.80 +/- 3.09   0.390% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.201, support = 3.66, residual support = 50.3:
    * O T HA    GLN   17 - HB2   GLN   17   2.59 +/- 0.23  33.595% * 57.9333% (0.24  10.0 10.00   4.12  84.59) =  53.826%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.32 +/- 0.16  45.122% * 36.8149% (0.15  10.0 10.00   3.14  10.30) =  45.942%  kept
        T HA    GLN   17 - HB3   PRO   68   9.55 +/- 4.70   2.401% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.097%
        T HA    GLU-  15 - HB2   GLN   17   5.65 +/- 1.00   4.707% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.043%
        T HA    GLN   17 - QB    GLU-  15   6.61 +/- 0.39   2.062% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.037%
        T HA    GLU-  15 - HB3   PRO   68  12.28 +/- 3.79   1.088% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.025%
        T HA    LEU   40 - HB2   GLN   17  13.45 +/- 2.79   0.966% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LEU   40 - QB    GLU-  15  10.79 +/- 2.34   0.763% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   37 - HB3   PRO   68  15.89 +/- 3.99   0.996% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LEU   40 - HB3   PRO   68  13.26 +/- 1.30   0.265% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   13 - QB    GLU-  15   5.89 +/- 0.71   3.138% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QB    GLU-  15   8.94 +/- 2.64   1.632% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   46 - HB3   PRO   68  18.55 +/- 4.65   0.332% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  13.90 +/- 2.07   0.393% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   GLN   17  10.56 +/- 1.80   0.911% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   PRO   68  16.32 +/- 2.87   0.170% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  14.96 +/- 2.70   0.226% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.54 +/- 2.73   0.366% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.02 +/- 2.15   0.164% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  14.27 +/- 1.84   0.216% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  17.03 +/- 3.83   0.220% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  19.19 +/- 4.12   0.109% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  21.26 +/- 2.60   0.068% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.24 +/- 2.14   0.087% *  0.0342% (0.14   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 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 = 0.2, support = 4.22, residual support = 79.6:
    * O T QG    GLN   17 - HB2   GLN   17   2.37 +/- 0.11  74.481% * 38.0794% (0.18  10.0 10.00   4.43  84.59) =  94.022%  kept
        T HB    VAL   70 - HB3   PRO   68   7.69 +/- 0.77   2.611% * 51.9604% (0.51   1.0 10.00   1.00   1.03) =   4.498%  kept
        T QG    GLN   17 - QB    GLU-  15   5.72 +/- 0.96   7.794% *  4.6976% (0.21   1.0 10.00   0.22   0.02) =   1.214%  kept
        T QG    GLN   17 - HB3   PRO   68   9.36 +/- 3.79   4.674% *  0.9554% (0.46   1.0 10.00   0.02   0.02) =   0.148%  kept
        T HB    VAL   70 - HB2   GLN   17   9.72 +/- 2.44   3.912% *  0.4162% (0.20   1.0 10.00   0.02   0.02) =   0.054%
        T HB    VAL   70 - QB    GLU-  15  10.62 +/- 2.34   1.455% *  0.4671% (0.23   1.0 10.00   0.02   0.02) =   0.023%
        T HG2   GLU- 100 - QB    GLU-  15  15.34 +/- 5.23   0.767% *  0.3618% (0.18   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   GLU- 100 - HB3   PRO   68  19.74 +/- 5.78   0.339% *  0.8087% (0.39   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   GLU- 100 - HB2   GLN   17  19.60 +/- 5.50   0.574% *  0.3223% (0.16   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   GLU-  25 - QB    GLU-  15  15.83 +/- 2.90   0.481% *  0.3618% (0.18   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   GLU-  25 - HB2   GLN   17  17.77 +/- 2.82   0.442% *  0.3223% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - HB3   PRO   68  24.28 +/- 2.69   0.085% *  0.8087% (0.39   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HB3   PRO   68  17.68 +/- 3.15   0.418% *  0.1239% (0.60   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HB3   PRO   68  18.91 +/- 3.79   0.538% *  0.0708% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLN   17  18.25 +/- 3.50   0.273% *  0.0494% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  18.18 +/- 2.26   0.184% *  0.0554% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.16 +/- 3.53   0.320% *  0.0282% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.62 +/- 3.33   0.200% *  0.0426% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  18.46 +/- 2.17   0.176% *  0.0317% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  20.33 +/- 2.90   0.138% *  0.0191% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.04 +/- 3.55   0.137% *  0.0170% (0.08   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.762, support = 4.29, residual support = 84.2:
    * O T HA    GLN   17 - QG    GLN   17   2.81 +/- 0.54  46.322% * 98.3823% (0.76  10.0 10.00   4.31  84.59) =  99.520%  kept
          HA    GLU-  15 - QG    GLN   17   4.69 +/- 1.11  21.900% *  0.9229% (0.43   1.0  1.00   0.33   0.02) =   0.441%  kept
        T HA    GLN   17 - HB    VAL   70   8.24 +/- 2.94   4.434% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.020%
          HA    LEU   40 - QG    GLN   17  11.92 +/- 2.67   8.857% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.007%
          HA    SER   13 - QG    GLN   17   9.25 +/- 1.85   3.634% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   37 - QG    GLN   17  12.96 +/- 2.44   0.735% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - QG    GLN   17  13.09 +/- 2.75   0.938% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   7.88 +/- 1.65   3.495% *  0.0122% (0.09   1.0  1.00   0.02   0.53) =   0.001%
          HA    SER   37 - HB    VAL   70  13.43 +/- 2.63   1.622% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG    GLN   17  17.29 +/- 4.09   0.327% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB    VAL   70   7.87 +/- 1.26   3.770% *  0.0076% (0.06   1.0  1.00   0.02  35.94) =   0.001%
          HA    PRO   58 - QG    GLN   17  15.56 +/- 3.04   0.435% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  11.13 +/- 2.33   1.929% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.36 +/- 2.86   0.701% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.07 +/- 2.04   0.372% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.53 +/- 1.82   0.528% *  0.0106% (0.08   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 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.38, residual support = 83.6:
    * O T HB2   GLN   17 - QG    GLN   17   2.37 +/- 0.11  62.968% * 87.5741% (0.76  10.0 10.00   4.43  84.59) =  98.777%  kept
        T QB    GLU-  15 - QG    GLN   17   5.72 +/- 0.96   6.580% *  9.6250% (0.76   1.0 10.00   0.22   0.02) =   1.134%  kept
        T HB3   PRO   68 - QG    GLN   17   9.36 +/- 3.79   3.956% *  0.7012% (0.61   1.0 10.00   0.02   0.02) =   0.050%
        T HB2   GLN   17 - HB    VAL   70   9.72 +/- 2.44   3.322% *  0.1794% (0.16   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   PRO   68 - HB    VAL   70   7.69 +/- 0.77   2.197% *  0.1436% (0.13   1.0 10.00   0.02   1.03) =   0.006%
        T HB3   GLU- 100 - QG    GLN   17  18.35 +/- 5.25   1.527% *  0.1950% (0.17   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   GLU-  25 - QG    GLN   17  16.39 +/- 2.15   0.322% *  0.8284% (0.72   1.0 10.00   0.02   0.02) =   0.005%
        T QB    GLU-  15 - HB    VAL   70  10.62 +/- 2.34   1.233% *  0.1794% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - QG    GLN   17   6.67 +/- 1.42   4.179% *  0.0496% (0.43   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   68 - QG    GLN   17  10.48 +/- 3.52   2.273% *  0.0426% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - QG    GLN   17   9.66 +/- 2.29   1.428% *  0.0360% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB    VAL   70   7.43 +/- 1.40   4.685% *  0.0087% (0.08   1.0  1.00   0.02   1.03) =   0.001%
        T HB3   GLU-  25 - HB    VAL   70  20.68 +/- 1.92   0.115% *  0.1697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  10.42 +/- 1.87   0.951% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  16.30 +/- 4.61   0.289% *  0.0399% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.05 +/- 1.39   0.991% *  0.0102% (0.09   1.0  1.00   0.02   0.14) =   0.000%
          QB    GLU- 114 - QG    GLN   17  21.08 +/- 2.54   0.104% *  0.0567% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  25.37 +/- 3.21   0.061% *  0.0868% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  11.87 +/- 2.08   0.671% *  0.0074% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.93 +/- 3.73   0.833% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.68 +/- 2.13   0.828% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.93 +/- 2.26   0.212% *  0.0116% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  18.59 +/- 3.11   0.159% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  21.52 +/- 2.96   0.116% *  0.0178% (0.16   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 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 = 3.55, residual support = 76.2:
    * O T HB    VAL   18 - HA    VAL   18   2.62 +/- 0.29  89.750% * 99.6862% (1.00  10.0 10.00   3.55  76.22) =  99.992%  kept
          HB2   LEU   67 - HA    VAL   18   7.74 +/- 3.26   6.573% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   40 - HA    VAL   18  10.50 +/- 1.56   2.341% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HA    VAL   18  21.03 +/- 4.51   0.567% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HA    VAL   18  19.26 +/- 3.31   0.437% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  18.32 +/- 2.69   0.332% *  0.0485% (0.49   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.1:
    * O T QG1   VAL   18 - HA    VAL   18   2.45 +/- 0.38  83.551% * 97.5244% (1.00  10.0 10.00   4.12  76.22) =  99.814%  kept
          QD1   LEU   71 - HA    VAL   18   6.89 +/- 2.27   6.684% *  1.3044% (0.84   1.0  1.00   0.32   0.02) =   0.107%  kept
        T QG1   VAL   70 - HA    VAL   18   7.22 +/- 1.34   6.519% *  0.9559% (0.98   1.0 10.00   0.02   0.02) =   0.076%
          HB3   LEU   63 - HA    VAL   18  10.80 +/- 2.52   2.073% *  0.0670% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   18  15.33 +/- 3.57   0.524% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  17.47 +/- 3.53   0.420% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  19.74 +/- 2.44   0.230% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 4.12, residual support = 74.2:
    * O T QG2   VAL   18 - HA    VAL   18   2.84 +/- 0.36  70.537% * 85.4710% (1.00  10.0 10.00   4.12  76.22) =  96.288%  kept
          QD1   ILE   19 - HA    VAL   18   4.90 +/- 0.84  17.241% * 13.2102% (0.73   1.0  1.00   4.26  22.74) =   3.638%  kept
        T QG1   VAL   41 - HA    VAL   18   8.75 +/- 2.57   6.111% *  0.6532% (0.76   1.0 10.00   0.02   0.02) =   0.064%
        T QD2   LEU  104 - HA    VAL   18  14.02 +/- 2.51   0.705% *  0.4839% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HA    VAL   18  10.46 +/- 3.27   2.013% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    VAL   18  12.28 +/- 3.73   1.728% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  11.17 +/- 1.62   1.665% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.2:
    * O T HA    VAL   18 - HB    VAL   18   2.62 +/- 0.29  93.580% * 99.3791% (1.00  10.0 10.00   3.55  76.22) =  99.995%  kept
          HA    VAL   70 - HB    VAL   18   8.94 +/- 2.29   3.267% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    VAL   18  15.58 +/- 1.62   0.618% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  15.44 +/- 2.11   0.575% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB    VAL   18  18.06 +/- 5.00   0.519% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  17.95 +/- 3.61   0.420% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  16.67 +/- 1.40   0.412% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  22.37 +/- 4.64   0.177% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  22.59 +/- 3.28   0.162% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  20.31 +/- 3.67   0.271% *  0.0276% (0.28   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 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 = 3.43, residual support = 76.2:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  91.568% * 99.5994% (1.00  10.0 10.00   3.43  76.22) =  99.992%  kept
          QG1   VAL   70 - HB    VAL   18   7.42 +/- 1.85   3.591% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HB    VAL   18   8.26 +/- 1.93   2.153% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB    VAL   18   9.94 +/- 3.46   1.852% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB    VAL   18  14.94 +/- 4.22   0.476% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.06 +/- 3.41   0.212% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  19.40 +/- 2.81   0.148% *  0.0197% (0.20   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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.25, residual support = 75.9:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.01  91.667% * 86.8571% (1.00  10.0 10.00   3.25  76.22) =  99.450%  kept
          QD1   ILE   19 - HB    VAL   18   6.61 +/- 0.74   3.605% * 11.8027% (0.73   1.0  1.00   3.74  22.74) =   0.531%  kept
        T QG1   VAL   41 - HB    VAL   18  10.00 +/- 2.39   1.652% *  0.6638% (0.76   1.0 10.00   0.02   0.02) =   0.014%
        T QD2   LEU  104 - HB    VAL   18  14.68 +/- 2.29   0.339% *  0.4917% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  11.45 +/- 4.18   1.160% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB    VAL   18  10.74 +/- 3.22   1.038% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  12.78 +/- 1.77   0.540% *  0.0193% (0.22   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 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 76.2:
    * O T HA    VAL   18 - QG1   VAL   18   2.45 +/- 0.38  90.442% * 97.2871% (1.00  10.0 10.00   4.12  76.22) =  99.951%  kept
        T HA    VAL   70 - QG1   VAL   18   7.76 +/- 2.15   4.556% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.035%
        T HA    SER   48 - QG1   VAL   18  14.72 +/- 4.63   0.889% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   SER   82 - QG1   VAL   18  17.90 +/- 4.08   0.398% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   18  12.58 +/- 1.36   0.862% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  12.78 +/- 1.83   0.850% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  14.94 +/- 3.00   0.614% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  13.58 +/- 1.28   0.636% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  18.14 +/- 2.81   0.319% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  16.60 +/- 3.26   0.435% *  0.0270% (0.28   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 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 76.0:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  79.049% * 98.3414% (1.00  10.0 10.00   3.43  76.22) =  99.662%  kept
          HB2   LEU   67 - QG1   VAL   18   6.68 +/- 3.57  18.235% *  1.4373% (0.90   1.0  1.00   0.33   0.02) =   0.336%  kept
          HB3   ARG+  54 - QG1   VAL   18  16.32 +/- 4.29   0.818% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG1   VAL   18   9.95 +/- 1.70   1.114% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  15.28 +/- 3.03   0.412% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  14.43 +/- 3.00   0.371% *  0.0479% (0.49   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 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 = 0.997, support = 4.0, residual support = 75.6:
    * O T QG2   VAL   18 - QG1   VAL   18   2.07 +/- 0.04  85.488% * 85.4625% (1.00  10.0 10.00   4.00  76.22) =  98.943%  kept
          QD1   ILE   19 - QG1   VAL   18   5.30 +/- 0.56   5.723% * 13.2189% (0.73   1.0  1.00   4.26  22.74) =   1.024%  kept
        T QG1   VAL   41 - QG1   VAL   18   8.27 +/- 2.16   2.797% *  0.6531% (0.76   1.0 10.00   0.02   0.02) =   0.025%
        T QD2   LEU  104 - QG1   VAL   18  12.22 +/- 1.88   0.497% *  0.4838% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QG1   VAL   18   9.22 +/- 3.87   2.291% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - QG1   VAL   18   8.64 +/- 2.94   2.002% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.15 +/- 1.77   1.203% *  0.0190% (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 = 0.999, support = 4.11, residual support = 76.0:
    * O T HA    VAL   18 - QG2   VAL   18   2.84 +/- 0.36  58.500% * 94.7630% (1.00  10.0 10.00   4.12  76.22) =  99.730%  kept
          HA    LYS+  33 - QG1   VAL   41   8.58 +/- 1.73   2.965% *  3.3001% (0.72   1.0  1.00   0.96   0.02) =   0.176%  kept
        T HA    VAL   18 - QG1   VAL   41   8.75 +/- 2.57   5.084% *  0.7242% (0.76   1.0 10.00   0.02   0.02) =   0.066%
          HA    VAL   70 - QG1   VAL   41   6.91 +/- 1.68   9.536% *  0.0497% (0.52   1.0  1.00   0.02   2.61) =   0.009%
          HA    VAL   70 - QG2   VAL   18   8.03 +/- 1.63   3.371% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   41   9.85 +/- 2.53   2.279% *  0.0723% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   8.14 +/- 2.46   4.497% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   18 - QD2   LEU  104  14.02 +/- 2.51   0.585% *  0.1456% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - QG2   VAL   18  13.26 +/- 1.59   0.783% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   18  13.43 +/- 1.67   0.671% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QG2   VAL   18  14.39 +/- 4.19   0.842% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  14.63 +/- 2.97   0.775% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  18.31 +/- 4.49   0.481% *  0.0718% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  18.36 +/- 3.37   0.285% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  14.38 +/- 1.25   0.510% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  10.52 +/- 3.28   2.003% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.32 +/- 1.84   0.379% *  0.0497% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.46 +/- 2.21   0.433% *  0.0353% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.67 +/- 1.70   0.238% *  0.0526% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.79 +/- 3.42   0.834% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  16.37 +/- 2.74   0.453% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.72 +/- 2.31   0.242% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.48 +/- 3.25   0.765% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  16.35 +/- 3.44   0.946% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.67 +/- 3.51   0.950% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.50 +/- 2.30   0.616% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  20.70 +/- 3.92   0.331% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.21 +/- 1.39   0.185% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  20.81 +/- 2.55   0.212% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  20.81 +/- 2.73   0.250% *  0.0040% (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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.25, residual support = 75.9:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.01  71.700% * 92.5328% (1.00  10.0 10.00   3.25  76.22) =  99.428%  kept
          HB2   LEU   40 - QG1   VAL   41   5.14 +/- 0.45   5.487% *  5.7168% (0.26   1.0  1.00   4.74  20.66) =   0.470%  kept
          HB2   LEU   67 - QG2   VAL   18   6.38 +/- 3.20  12.402% *  0.4495% (0.90   1.0  1.00   0.11   0.02) =   0.084%
        T HB    VAL   18 - QG1   VAL   41  10.00 +/- 2.39   1.298% *  0.7072% (0.76   1.0 10.00   0.02   0.02) =   0.014%
          HB2   LEU   67 - QG1   VAL   41   9.47 +/- 1.98   1.359% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QG2   VAL   18  15.81 +/- 3.54   0.603% *  0.0830% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   18 - QD2   LEU  104  14.68 +/- 2.29   0.265% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG2   VAL   18  10.45 +/- 1.42   0.783% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  15.08 +/- 3.02   0.462% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  13.83 +/- 3.16   0.412% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   7.95 +/- 3.76   3.422% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.74 +/- 3.23   0.722% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  20.86 +/- 3.46   0.143% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.04 +/- 1.60   0.185% *  0.0372% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  18.44 +/- 1.94   0.123% *  0.0344% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.13 +/- 1.80   0.323% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.58 +/- 3.74   0.110% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.31 +/- 3.99   0.202% *  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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.957, support = 4.05, residual support = 82.4:
    * O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.04  46.303% * 90.5756% (1.00  10.0 10.00   4.00  76.22) =  95.392%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.59 +/- 0.50  29.147% *  6.7746% (0.07  10.0 10.00   5.33 215.12) =   4.491%  kept
          QD1   LEU   71 - QG1   VAL   41   6.02 +/- 2.06   5.404% *  0.4842% (0.64   1.0  1.00   0.17   2.81) =   0.060%
        T QG1   VAL   18 - QG1   VAL   41   8.27 +/- 2.16   1.636% *  0.6922% (0.76   1.0 10.00   0.02   0.02) =   0.026%
        T HB3   LEU  104 - QG1   VAL   41   9.36 +/- 3.59   1.755% *  0.3369% (0.37   1.0 10.00   0.02   0.02) =   0.013%
          QG1   VAL   70 - QG2   VAL   18   6.60 +/- 1.32   2.034% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QG1   VAL   41   6.82 +/- 1.53   2.534% *  0.0678% (0.75   1.0  1.00   0.02   2.61) =   0.004%
          QD1   LEU   71 - QG2   VAL   18   7.32 +/- 1.29   1.333% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG2   VAL   18  15.37 +/- 3.13   0.191% *  0.4409% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QG2   VAL   18   8.24 +/- 2.41   1.240% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QG2   VAL   18  12.36 +/- 3.41   0.671% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   18 - QD2   LEU  104  12.22 +/- 1.88   0.268% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  104  13.20 +/- 3.70   3.421% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  11.42 +/- 2.80   0.523% *  0.0475% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   8.85 +/- 2.86   1.164% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.12 +/- 3.28   1.192% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.87 +/- 2.59   0.206% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.39 +/- 4.11   0.430% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.11 +/- 1.91   0.160% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  15.95 +/- 1.99   0.114% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.91 +/- 0.88   0.275% *  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 = 168.6:
    * O T HB    ILE   19 - HA    ILE   19   2.93 +/- 0.14  75.206% * 98.7896% (1.00  10.0 10.00   5.75 168.63) =  99.975%  kept
        T HB3   GLU-  25 - HA    ILE   19  13.67 +/- 1.49   0.843% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.009%
          HB2   GLN   17 - HA    ILE   19   6.13 +/- 0.52   8.934% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   8.36 +/- 1.29   4.979% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   68 - HA    ILE   19  14.62 +/- 2.87   2.380% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - HA    ILE   19  13.60 +/- 3.16   6.038% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - HA    ILE   19  22.31 +/- 3.66   0.479% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HA    ILE   19  21.33 +/- 3.87   0.718% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.23 +/- 3.25   0.285% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  26.94 +/- 3.68   0.138% *  0.0481% (0.49   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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.983, support = 6.17, residual support = 164.4:
    * O T HG12  ILE   19 - HA    ILE   19   3.26 +/- 0.52  62.260% * 84.4146% (1.00  10.0 10.00   6.31 168.63) =  97.406%  kept
        T HG    LEU   73 - HA    ILE   19   7.36 +/- 2.71   9.407% * 13.8299% (0.34   1.0 10.00   0.96   5.40) =   2.411%  kept
          HB3   LYS+  74 - HA    ILE   19   6.75 +/- 2.57  16.762% *  0.5027% (0.57   1.0  1.00   0.21   8.40) =   0.156%  kept
        T HG    LEU   80 - HA    ILE   19  17.46 +/- 5.57   1.044% *  0.8274% (0.98   1.0 10.00   0.02   0.02) =   0.016%
          QB    ALA   61 - HA    ILE   19  10.70 +/- 2.52   3.432% *  0.0732% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - HA    ILE   19  11.16 +/- 1.63   2.060% *  0.0613% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ILE   19  12.59 +/- 1.51   1.376% *  0.0444% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  14.17 +/- 3.22   1.843% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ILE   19  17.11 +/- 4.29   0.725% *  0.0645% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ILE   19  20.48 +/- 4.88   0.493% *  0.0512% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  22.75 +/- 3.39   0.229% *  0.0837% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.07 +/- 3.33   0.367% *  0.0210% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 168.5:
    * O T HG13  ILE   19 - HA    ILE   19   2.81 +/- 0.60  77.012% * 98.2804% (1.00  10.0 10.00   5.75 168.63) =  99.932%  kept
        T HG    LEU   71 - HA    ILE   19   9.52 +/- 2.10   4.178% *  0.8814% (0.90   1.0 10.00   0.02   0.64) =   0.049%
          QG2   THR   39 - HA    ILE   19   9.83 +/- 3.07   7.654% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  74 - HA    ILE   19   8.36 +/- 2.37   4.895% *  0.0907% (0.92   1.0  1.00   0.02   8.40) =   0.006%
        T QG2   ILE   56 - HA    ILE   19  17.60 +/- 2.22   0.415% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    ILE   19   9.55 +/- 1.70   3.834% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE   19  17.60 +/- 3.42   0.588% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  20.26 +/- 3.08   0.426% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  17.54 +/- 2.60   0.544% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  19.22 +/- 2.92   0.345% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  27.85 +/- 3.79   0.108% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.07 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.88, residual support = 156.0:
    *   T QD1   ILE   19 - HA    ILE   19   3.12 +/- 0.61  54.542% * 84.7548% (1.00 10.00   4.89 168.63) =  91.355%  kept
          QG2   VAL   18 - HA    ILE   19   4.35 +/- 0.70  29.109% * 15.0084% (0.73  1.00   4.88  22.74) =   8.634%  kept
          QG1   VAL   41 - HA    ILE   19   9.73 +/- 2.69   8.405% *  0.0262% (0.31  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    ILE   19  11.12 +/- 3.45   4.761% *  0.0413% (0.49  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    ILE   19  12.77 +/- 3.61   1.383% *  0.0708% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    ILE   19  15.64 +/- 2.93   0.660% *  0.0818% (0.97  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  14.08 +/- 3.01   1.140% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.20 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 168.6:
    * O T HA    ILE   19 - HB    ILE   19   2.93 +/- 0.14  93.316% * 98.6066% (1.00  10.0 10.00   5.75 168.63) =  99.980%  kept
        T HA    GLU-  25 - HB    ILE   19  12.06 +/- 1.48   1.752% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.017%
        T HA    SER   82 - HB    ILE   19  22.05 +/- 3.93   0.299% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB    ILE   19   8.91 +/- 1.37   4.344% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  20.58 +/- 1.60   0.288% *  0.0884% (0.90   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 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 = 0.939, support = 5.0, residual support = 153.4:
    * O T HG12  ILE   19 - HB    ILE   19   2.50 +/- 0.25  70.022% * 71.0698% (1.00  10.0 10.00   5.30 168.63) =  90.679%  kept
        T HG    LEU   73 - HB    ILE   19   5.56 +/- 3.00  20.539% * 24.2425% (0.34   1.0 10.00   2.12   5.40) =   9.073%  kept
          HB3   LYS+  74 - HB    ILE   19   7.47 +/- 2.11   3.974% *  3.1685% (0.57   1.0  1.00   1.57   8.40) =   0.229%  kept
        T HB3   LEU   67 - HB    ILE   19  11.23 +/- 1.47   0.898% *  0.5161% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   80 - HB    ILE   19  17.16 +/- 5.99   0.587% *  0.6966% (0.98   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   61 - HB    ILE   19  10.86 +/- 1.81   1.234% *  0.0616% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB    ILE   19  16.83 +/- 4.60   0.458% *  0.0543% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.69 +/- 3.17   1.034% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  13.18 +/- 1.26   0.567% *  0.0374% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.36 +/- 4.92   0.393% *  0.0431% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  22.25 +/- 3.10   0.125% *  0.0704% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.41 +/- 3.28   0.171% *  0.0177% (0.25   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 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.95, residual support = 167.0:
    * O T HG13  ILE   19 - HB    ILE   19   2.71 +/- 0.26  69.540% * 78.9219% (1.00  10.0 10.00   5.00 168.63) =  98.961%  kept
        T HG2   LYS+  74 - HB    ILE   19   8.99 +/- 1.98   2.411% * 19.8961% (0.92   1.0 10.00   0.55   8.40) =   0.865%  kept
        T HG    LEU   71 - HB    ILE   19   8.51 +/- 2.32  12.559% *  0.7078% (0.90   1.0 10.00   0.02   0.64) =   0.160%  kept
          QG2   THR   39 - HB    ILE   19   8.73 +/- 2.86   8.407% *  0.0659% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          QB    ALA   34 - HB    ILE   19   7.74 +/- 1.75   5.100% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HB    ILE   19  15.94 +/- 3.09   0.562% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    ILE   19  15.74 +/- 2.41   0.524% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.77 +/- 2.86   0.223% *  0.0659% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  27.38 +/- 3.22   0.086% *  0.1562% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  17.55 +/- 1.90   0.327% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  18.39 +/- 2.62   0.261% *  0.0197% (0.25   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 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.16, residual support = 164.0:
    * O T QD1   ILE   19 - HB    ILE   19   2.72 +/- 0.45  70.196% * 84.7721% (1.00  10.0 10.00   4.14 168.63) =  96.802%  kept
          QG2   VAL   18 - HB    ILE   19   5.30 +/- 0.73  13.071% * 14.9911% (0.73   1.0  1.00   4.87  22.74) =   3.188%  kept
          QG1   VAL   41 - HB    ILE   19   8.20 +/- 2.74   8.091% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HB    ILE   19  10.03 +/- 3.64   5.099% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HB    ILE   19  12.82 +/- 3.08   1.307% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HB    ILE   19  14.32 +/- 2.98   0.891% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  12.81 +/- 2.92   1.345% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.14 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.984, support = 6.19, residual support = 164.8:
    * O T HA    ILE   19 - HG12  ILE   19   3.26 +/- 0.52  60.364% * 85.8219% (1.00  10.0 10.00   6.31 168.63) =  97.646%  kept
        T HA    ILE   19 - HG    LEU   73   7.36 +/- 2.71   9.205% * 13.4618% (0.33   1.0 10.00   0.96   5.40) =   2.336%  kept
        T HA    ILE   19 - HG    LEU   80  17.46 +/- 5.57   1.030% *  0.3520% (0.41   1.0 10.00   0.02   0.02) =   0.007%
          HA    CYS   53 - HG    LEU   73  18.12 +/- 3.46   5.074% *  0.0251% (0.29   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   82 - HG    LEU   80   7.38 +/- 1.22   7.653% *  0.0132% (0.15   1.0  1.00   0.02   0.38) =   0.002%
          HA    GLU-  25 - HG12  ILE   19  13.61 +/- 1.54   1.173% *  0.0792% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG12  ILE   19  10.24 +/- 1.67   3.625% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  25 - HG    LEU   80  17.15 +/- 8.24   1.995% *  0.0325% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  25 - HG    LEU   73  10.97 +/- 2.11   2.210% *  0.0259% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG    LEU   80  18.57 +/- 4.59   0.890% *  0.0316% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73   9.17 +/- 2.65   3.995% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  21.21 +/- 2.14   0.284% *  0.0770% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  17.85 +/- 8.08   1.720% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  23.48 +/- 3.61   0.224% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  18.58 +/- 3.76   0.556% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.941, support = 5.02, residual support = 154.2:
    * O T HB    ILE   19 - HG12  ILE   19   2.50 +/- 0.25  58.654% * 74.6257% (1.00  10.0 10.00   5.30 168.63) =  91.186%  kept
        T HB    ILE   19 - HG    LEU   73   5.56 +/- 3.00  17.321% * 24.3716% (0.33   1.0 10.00   2.12   5.40) =   8.794%  kept
          QB    GLU-  15 - HG12  ILE   19   7.23 +/- 1.89   7.871% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - HG12  ILE   19   6.83 +/- 1.28   5.032% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HB    ILE   19 - HG    LEU   80  17.16 +/- 5.99   0.493% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HG12  ILE   19  14.30 +/- 2.95   0.673% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE   19  13.31 +/- 3.23   1.769% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG12  ILE   19  14.14 +/- 1.55   0.376% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80  17.15 +/- 7.94   0.695% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  11.81 +/- 2.16   0.775% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.00 +/- 4.37   1.440% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  11.95 +/- 3.12   0.893% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  19.09 +/- 4.21   0.478% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.84 +/- 2.82   0.770% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  22.26 +/- 3.76   0.141% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.86 +/- 2.04   0.305% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.49 +/- 3.91   0.169% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.99 +/- 3.25   0.127% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.68 +/- 2.22   0.123% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  23.85 +/- 4.74   0.111% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  27.14 +/- 4.14   0.090% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.16 +/- 5.96   0.245% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  22.11 +/- 4.96   0.152% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  21.49 +/- 5.27   0.147% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.32 +/- 2.45   0.443% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.42 +/- 2.66   0.219% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.59 +/- 4.29   0.123% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.00 +/- 3.74   0.141% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  23.58 +/- 3.64   0.121% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.97 +/- 4.45   0.102% *  0.0068% (0.09   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 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 = 0.994, support = 5.16, residual support = 163.6:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  74.868% * 72.2953% (1.00  10.0 10.00   5.30 168.63) =  97.012%  kept
        T HG    LEU   71 - HG12  ILE   19   7.84 +/- 2.61   9.063% * 15.2109% (0.90   1.0 10.00   0.47   0.64) =   2.471%  kept
        T HG13  ILE   19 - HG    LEU   73   7.36 +/- 3.29   2.555% * 11.0729% (0.33   1.0 10.00   0.94   5.40) =   0.507%  kept
          QG2   THR   39 - HG12  ILE   19   8.30 +/- 3.37   2.654% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   71 - HG    LEU   73   9.61 +/- 1.47   0.644% *  0.2117% (0.29   1.0 10.00   0.02   1.01) =   0.002%
        T HG13  ILE   19 - HG    LEU   80  18.68 +/- 5.70   0.128% *  0.2965% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG12  ILE   19  10.18 +/- 2.20   0.503% *  0.0667% (0.92   1.0  1.00   0.02   8.40) =   0.001%
          QG2   THR   39 - HG    LEU   73   9.85 +/- 2.68   1.649% *  0.0197% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HG12  ILE   19   8.03 +/- 2.35   1.493% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.00 +/- 1.10   1.053% *  0.0218% (0.30   1.0  1.00   0.02  41.48) =   0.000%
        T HG    LEU   71 - HG    LEU   80  21.68 +/- 4.73   0.061% *  0.2659% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.44 +/- 2.41   0.553% *  0.0248% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.18 +/- 4.22   0.179% *  0.0684% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.93 +/- 3.36   0.394% *  0.0274% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   7.79 +/- 2.52   1.969% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.47 +/- 3.20   0.153% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  15.18 +/- 3.41   0.189% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.65 +/- 3.19   0.063% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  19.26 +/- 4.90   0.118% *  0.0248% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.51 +/- 2.03   0.353% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.56 +/- 2.23   0.112% *  0.0197% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  17.92 +/- 2.04   0.081% *  0.0271% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  15.97 +/- 2.59   0.211% *  0.0089% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  16.52 +/- 2.81   0.126% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  18.03 +/- 4.12   0.151% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  17.51 +/- 6.13   0.205% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.85 +/- 4.94   0.046% *  0.0281% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  19.63 +/- 2.94   0.067% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  14.42 +/- 2.27   0.166% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.63 +/- 4.53   0.098% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  27.48 +/- 6.44   0.031% *  0.0168% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  28.11 +/- 3.97   0.024% *  0.0143% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  24.32 +/- 3.52   0.041% *  0.0047% (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 = 0.987, support = 4.16, residual support = 164.5:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.01  51.906% * 76.4933% (1.00  10.0 10.00   4.19 168.63) =  97.311%  kept
          QG2   VAL   18 - HG12  ILE   19   5.54 +/- 0.97   4.453% * 12.9046% (0.73   1.0  1.00   4.65  22.74) =   1.408%  kept
        T QD1   ILE   19 - HG    LEU   73   6.40 +/- 2.40   5.313% *  8.9642% (0.33   1.0 10.00   0.72   5.40) =   1.167%  kept
          QG1   VAL   41 - HG12  ILE   19   8.46 +/- 3.37   3.820% *  0.5695% (0.31   1.0  1.00   0.48   0.02) =   0.053%
          QG1   VAL   41 - HG    LEU   73   7.30 +/- 2.92  10.355% *  0.1817% (0.10   1.0  1.00   0.47   0.02) =   0.046%
          QG1   VAL   43 - HG    LEU   73   6.93 +/- 3.35  11.753% *  0.0122% (0.16   1.0  1.00   0.02   4.69) =   0.004%
          QG1   VAL   43 - HG12  ILE   19  10.96 +/- 4.00   2.304% *  0.0372% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   ILE   19 - HG    LEU   80  15.99 +/- 4.76   0.256% *  0.3137% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   98 - HG12  ILE   19  13.51 +/- 3.56   0.388% *  0.1514% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   73  10.59 +/- 3.02   1.786% *  0.0209% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG    LEU   73   7.34 +/- 2.49   2.035% *  0.0181% (0.24   1.0  1.00   0.02   0.94) =   0.001%
          QG1   VAL   43 - HG    LEU   80  11.09 +/- 4.68   1.831% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG12  ILE   19  14.63 +/- 3.93   0.292% *  0.0738% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  14.66 +/- 4.60   0.328% *  0.0621% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  13.59 +/- 3.16   0.305% *  0.0639% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80  11.04 +/- 2.57   0.616% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.92 +/- 3.25   0.589% *  0.0241% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  14.54 +/- 4.47   0.280% *  0.0228% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  10.41 +/- 3.18   0.935% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.82 +/- 5.52   0.350% *  0.0097% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  19.16 +/- 4.11   0.105% *  0.0303% (0.40   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 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 168.6:
    * O T HA    ILE   19 - HG13  ILE   19   2.81 +/- 0.60  86.375% * 98.6722% (1.00  10.0 10.00   5.75 168.63) =  99.986%  kept
        T HA    ILE   19 - HG    LEU   71   9.52 +/- 2.10   4.670% *  0.1414% (0.14   1.0 10.00   0.02   0.64) =   0.008%
        T HA    CYS   53 - HG13  ILE   19  21.20 +/- 2.23   0.259% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  25 - HG13  ILE   19  13.90 +/- 1.71   1.465% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG13  ILE   19  10.48 +/- 1.70   4.463% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HG    LEU   71  21.43 +/- 3.02   0.619% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  23.57 +/- 3.71   0.252% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  18.06 +/- 2.54   0.526% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.09 +/- 2.68   1.185% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  25.79 +/- 2.78   0.186% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.0, residual support = 168.5:
    * O T HB    ILE   19 - HG13  ILE   19   2.71 +/- 0.26  51.838% * 98.7569% (1.00  10.0 10.00   5.00 168.63) =  99.948%  kept
        T HB    ILE   19 - HG    LEU   71   8.51 +/- 2.32   9.281% *  0.1416% (0.14   1.0 10.00   0.02   0.64) =   0.026%
          QB    GLU-  15 - HG13  ILE   19   7.21 +/- 1.59   8.773% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          HB2   GLN   17 - HG13  ILE   19   6.43 +/- 1.15   6.573% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HG2   PRO   68 - HG13  ILE   19  14.25 +/- 2.98   1.420% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - HG13  ILE   19  13.25 +/- 3.23   4.902% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG    LEU   71   7.45 +/- 3.87   8.530% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  27.16 +/- 3.87   0.080% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  14.38 +/- 1.65   0.428% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG13  ILE   19  22.31 +/- 3.77   0.281% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   71   9.28 +/- 3.34   2.735% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  10.90 +/- 1.47   1.132% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.53 +/- 3.90   0.346% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.63 +/- 4.52   0.692% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  25.83 +/- 4.28   0.123% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.73 +/- 2.40   0.150% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.05 +/- 1.83   1.915% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.14 +/- 4.14   0.445% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.24 +/- 2.43   0.186% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  20.66 +/- 2.33   0.171% *  0.0058% (0.06   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 168.6:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  79.772% * 97.7565% (1.00  10.0 10.00   5.30 168.63) =  99.966%  kept
        T HG12  ILE   19 - HG    LEU   71   7.84 +/- 2.61   9.646% *  0.1401% (0.14   1.0 10.00   0.02   0.64) =   0.017%
        T HG    LEU   73 - HG13  ILE   19   7.36 +/- 3.29   2.731% *  0.3335% (0.34   1.0 10.00   0.02   5.40) =   0.012%
        T HG    LEU   80 - HG13  ILE   19  18.68 +/- 5.70   0.136% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HG13  ILE   19   8.62 +/- 2.54   1.328% *  0.0553% (0.57   1.0  1.00   0.02   8.40) =   0.001%
          QB    ALA   61 - HG13  ILE   19  11.25 +/- 2.24   0.494% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG    LEU   71   9.61 +/- 1.47   0.685% *  0.0478% (0.05   1.0 10.00   0.02   1.01) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  11.20 +/- 2.02   0.363% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.50 +/- 3.88   0.504% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.06 +/- 1.22   0.210% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  21.68 +/- 4.73   0.065% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  18.36 +/- 4.39   0.109% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  16.33 +/- 6.36   0.932% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.59 +/- 2.10   0.759% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  19.83 +/- 5.01   0.115% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  22.92 +/- 3.35   0.049% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  11.89 +/- 1.76   0.367% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  11.90 +/- 3.67   0.873% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.41 +/- 1.52   0.290% *  0.0079% (0.08   1.0  1.00   0.02   0.13) =   0.000%
          QG    LYS+  66 - HG    LEU   71  12.48 +/- 1.28   0.255% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.18 +/- 4.09   0.064% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  21.83 +/- 4.40   0.110% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  21.26 +/- 3.37   0.057% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  18.92 +/- 4.33   0.086% *  0.0035% (0.04   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 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 = 0.995, support = 4.12, residual support = 166.3:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  62.813% * 84.6167% (1.00  10.0 10.00   4.11 168.63) =  98.400%  kept
          QG2   VAL   18 - HG13  ILE   19   5.24 +/- 0.81   5.642% * 14.9829% (0.73   1.0  1.00   4.88  22.74) =   1.565%  kept
        T QD1   ILE   19 - HG    LEU   71   6.58 +/- 2.28  12.983% *  0.1213% (0.14   1.0 10.00   0.02   0.64) =   0.029%
          QG1   VAL   41 - HG13  ILE   19   8.63 +/- 3.46   5.511% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HG13  ILE   19  11.06 +/- 3.89   1.485% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG13  ILE   19  13.59 +/- 3.44   0.421% *  0.0707% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG13  ILE   19  14.79 +/- 3.75   0.365% *  0.0817% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   71   6.85 +/- 2.18   6.164% *  0.0037% (0.04   1.0  1.00   0.02   2.81) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.28 +/- 1.71   1.420% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.62 +/- 3.61   0.479% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.07 +/- 3.67   0.642% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71  10.98 +/- 2.45   1.127% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.75 +/- 2.89   0.327% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  12.44 +/- 3.46   0.620% *  0.0024% (0.03   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 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 168.6:
    *   T HA    ILE   19 - QD1   ILE   19   3.12 +/- 0.61  89.059% * 99.7561% (1.00 10.00   4.89 168.63) =  99.994%  kept
          HA    GLU-  25 - QD1   ILE   19  10.99 +/- 1.29   3.145% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QD1   ILE   19   7.94 +/- 1.19   6.727% *  0.0249% (0.25  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QD1   ILE   19  18.72 +/- 1.94   0.595% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  19.97 +/- 3.03   0.473% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.13 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.13, residual support = 168.4:
    * O T HB    ILE   19 - QD1   ILE   19   2.72 +/- 0.45  61.753% * 98.8615% (1.00  10.0 10.00   4.14 168.63) =  99.839%  kept
          HB2   GLN   17 - QD1   ILE   19   6.03 +/- 1.46  12.674% *  0.6631% (0.57   1.0  1.00   0.24   0.02) =   0.137%  kept
          QB    GLU-  15 - QD1   ILE   19   5.56 +/- 1.65  17.538% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.016%
          HG2   PRO   68 - QD1   ILE   19  12.47 +/- 2.19   1.901% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QD1   ILE   19  11.44 +/- 1.33   1.354% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD1   ILE   19  11.59 +/- 2.46   3.721% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  19.34 +/- 3.31   0.313% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QD1   ILE   19  18.89 +/- 3.42   0.338% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.27 +/- 2.14   0.277% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  23.55 +/- 3.47   0.132% *  0.0481% (0.49   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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 168.5:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  83.350% * 97.8860% (1.00  10.0 10.00   4.19 168.63) =  99.950%  kept
        T HG    LEU   73 - QD1   ILE   19   6.40 +/- 2.40   8.636% *  0.3339% (0.34   1.0 10.00   0.02   5.40) =   0.035%
        T HG    LEU   80 - QD1   ILE   19  15.99 +/- 4.76   0.417% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LEU   98 - QD1   ILE   19  11.51 +/- 3.01   1.212% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QD1   ILE   19   7.93 +/- 1.80   2.876% *  0.0554% (0.57   1.0  1.00   0.02   8.40) =   0.002%
          QB    ALA   61 - QD1   ILE   19  10.18 +/- 1.68   1.055% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD1   ILE   19  10.19 +/- 1.49   0.933% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD1   ILE   19  11.73 +/- 1.01   0.552% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  15.74 +/- 3.57   0.328% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  17.18 +/- 3.95   0.302% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  19.81 +/- 2.97   0.142% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.69 +/- 3.12   0.200% *  0.0244% (0.25   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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 168.3:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  61.661% * 98.6077% (1.00  10.0 10.00   4.11 168.63) =  99.784%  kept
        T HG    LEU   71 - QD1   ILE   19   6.58 +/- 2.28  13.033% *  0.8843% (0.90   1.0 10.00   0.02   0.64) =   0.189%  kept
          QG2   THR   39 - QD1   ILE   19   6.77 +/- 3.20  15.806% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.021%
          QB    ALA   34 - QD1   ILE   19   6.38 +/- 2.12   6.678% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QD1   ILE   19   9.15 +/- 1.81   1.219% *  0.0910% (0.92   1.0  1.00   0.02   8.40) =   0.002%
          HG3   LYS+  99 - QD1   ILE   19  13.66 +/- 3.62   0.629% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   19  12.56 +/- 2.96   0.456% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.81 +/- 2.54   0.139% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  15.82 +/- 1.58   0.175% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  16.98 +/- 2.25   0.146% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  24.34 +/- 3.41   0.057% *  0.0195% (0.20   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 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  97.937% * 99.6998% (1.00  10.0 10.00   2.31  15.22) =  99.999%  kept
          QG2   VAL  107 - HA    ALA   20  16.31 +/- 2.55   0.483% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ALA   20  13.39 +/- 1.14   0.421% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.78 +/- 3.92   0.393% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  22.21 +/- 4.87   0.299% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.21 +/- 3.24   0.275% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  22.54 +/- 4.42   0.192% *  0.0135% (0.14   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 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  98.100% * 99.9427% (1.00  10.0 10.00   2.31  15.22) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20   9.56 +/- 1.40   1.363% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    ALA   20  18.11 +/- 3.29   0.537% *  0.0198% (0.20   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 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 = 2.75, residual support = 29.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.61 +/- 0.21  99.158% * 99.9059% (1.00  10.0 10.00   2.75  29.95) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  15.54 +/- 3.53   0.664% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.16 +/- 4.12   0.178% *  0.0566% (0.57   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 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.76, residual support = 29.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.65 +/- 0.28  99.222% * 99.9348% (0.69  10.0 10.00   2.76  29.95) =  99.999%  kept
          HG2   MET   96 - HA    CYS   21  16.64 +/- 4.37   0.778% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 2.64, residual support = 29.9:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.634% * 99.9348% (0.69  10.0 10.00   2.64  29.95) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  15.19 +/- 4.51   0.366% *  0.0652% (0.45   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 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.64, residual support = 29.9:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.656% * 99.9059% (0.69  10.0 10.00   2.64  29.95) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  14.53 +/- 3.60   0.289% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.30 +/- 3.89   0.055% *  0.0566% (0.39   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 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 = 2.32, residual support = 35.2:
    * O T HB2   HIS   22 - HA    HIS   22   2.39 +/- 0.05  96.322% * 99.8331% (0.76  10.0 10.00   2.32  35.25) =  99.997%  kept
          HA    LEU   63 - HA    HIS   22  18.07 +/- 3.06   1.268% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - HA    HIS   22  21.98 +/- 5.16   2.410% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 35.2:
    * O T HB3   HIS   22 - HA    HIS   22   2.87 +/- 0.24  99.785% * 99.9165% (0.95  10.0 10.00   3.46  35.25) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  23.93 +/- 3.83   0.215% *  0.0835% (0.79   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 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.2:
    * O T HA    HIS   22 - HB2   HIS   22   2.39 +/- 0.05  99.062% * 99.7956% (0.76  10.0 10.00   2.32  35.25) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  14.14 +/- 3.77   0.774% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB2   HIS   22  21.61 +/- 2.27   0.163% *  0.1046% (0.79   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 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 = 35.2:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.945% * 99.9165% (0.80  10.0 10.00   4.26  35.25) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  24.39 +/- 4.59   0.055% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.2:
    * O T HA    HIS   22 - HB3   HIS   22   2.87 +/- 0.24  98.730% * 99.7956% (0.95  10.0 10.00   3.46  35.25) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  14.46 +/- 3.60   1.001% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  21.50 +/- 2.31   0.270% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.2:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  99.280% * 99.8331% (0.80  10.0 10.00   4.26  35.25) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  19.79 +/- 2.88   0.194% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  23.28 +/- 5.68   0.526% *  0.0425% (0.34   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 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 = 3.36, residual support = 19.1:
    * O T QG2   THR   23 - HA    THR   23   2.59 +/- 0.46  95.234% * 99.3383% (0.80  10.0 10.00   3.36  19.12) =  99.996%  kept
        T QG2   THR   39 - HA    THR   23  16.12 +/- 2.23   0.641% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HA    THR   23  19.18 +/- 3.36   0.485% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    THR   23  13.27 +/- 1.00   0.923% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  12.86 +/- 3.11   2.143% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   23  20.05 +/- 3.17   0.393% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.34 +/- 1.90   0.180% *  0.0445% (0.36   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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.624, support = 3.36, residual support = 19.1:
    * O T HA    THR   23 - QG2   THR   23   2.59 +/- 0.46  38.533% * 73.9129% (0.80  10.0 10.00   3.36  19.12) =  66.189%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.01  56.682% * 25.6645% (0.28  10.0  1.00   3.36  19.12) =  33.808%  kept
          HA    ASP-  78 - QG2   THR   23  13.82 +/- 3.82   0.464% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - QG2   THR   23  13.02 +/- 5.50   0.826% *  0.0379% (0.41   1.0  1.00   0.02   0.39) =   0.001%
        T HA    THR   23 - QG2   THR   39  16.12 +/- 2.23   0.186% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QB    ALA   91  11.39 +/- 2.97   1.809% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  19.18 +/- 3.36   0.116% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.62 +/- 2.37   0.945% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  20.63 +/- 1.47   0.068% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.14 +/- 2.08   0.175% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  20.04 +/- 3.57   0.105% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  20.55 +/- 3.25   0.092% *  0.0027% (0.03   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 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 = 64.9:
    * O T QG1   VAL   24 - HA    VAL   24   2.89 +/- 0.41  95.769% * 99.7332% (1.00  10.0 10.00   3.42  64.94) =  99.998%  kept
          HB3   LEU   31 - HA    VAL   24  10.16 +/- 0.53   2.649% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  18.05 +/- 2.69   0.615% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL   24  22.25 +/- 4.24   0.706% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  24.89 +/- 4.22   0.261% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 64.9:
    * O T HA    VAL   24 - QG1   VAL   24   2.89 +/- 0.41  97.206% * 99.8757% (1.00  10.0 10.00   3.42  64.94) =  99.999%  kept
          HA    ALA   61 - QG1   VAL   24  15.09 +/- 2.89   1.718% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   24  16.93 +/- 1.37   0.590% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  19.36 +/- 2.73   0.486% *  0.0375% (0.38   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 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 = 5.26, residual support = 127.5:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.95 +/- 0.10  93.847% * 99.2829% (1.00  10.0 10.00   5.26 127.52) =  99.995%  kept
        T HB2   GLU-  25 - HA    SER   82  21.06 +/- 7.97   0.686% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLN   17 - HA    GLU-  25  16.10 +/- 2.26   0.761% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLU-  25  18.07 +/- 3.95   0.657% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  19.57 +/- 2.06   0.358% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.18 +/- 5.01   1.608% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.89 +/- 2.93   0.893% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.19 +/- 1.30   0.311% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.60 +/- 3.74   0.222% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  23.91 +/- 2.12   0.192% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.87 +/- 4.92   0.360% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  30.52 +/- 4.62   0.105% *  0.0110% (0.11   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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.72 +/- 0.14  91.568% * 98.0202% (1.00  10.0 10.00   5.00 127.52) =  99.982%  kept
        T HB    ILE   19 - HA    GLU-  25  12.06 +/- 1.48   1.434% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   GLU-  25 - HA    SER   82  20.20 +/- 8.23   0.714% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - HA    GLU-  25  16.00 +/- 3.06   0.912% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  22.05 +/- 3.93   0.227% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.78 +/- 0.82   2.235% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLU-  25  18.35 +/- 2.85   0.442% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.82 +/- 3.85   0.248% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  22.97 +/- 5.44   0.570% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  20.62 +/- 3.86   0.539% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  24.14 +/- 3.00   0.151% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  24.74 +/- 2.52   0.133% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.83 +/- 3.56   0.079% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  26.35 +/- 3.18   0.116% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  26.61 +/- 3.70   0.111% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  21.76 +/- 5.72   0.317% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  28.04 +/- 3.69   0.104% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  28.27 +/- 3.69   0.101% *  0.0193% (0.20   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 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.44 +/- 0.52  93.178% * 99.4877% (1.00  10.0 10.00   4.31 127.52) =  99.997%  kept
        T HG2   GLU-  25 - HA    SER   82  21.38 +/- 8.42   0.472% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   87 - HA    SER   82   9.65 +/- 0.31   2.453% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  25.13 +/- 6.05   1.569% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  18.98 +/- 4.96   0.351% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  28.98 +/- 4.83   0.284% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  24.81 +/- 5.38   0.883% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  21.72 +/- 2.17   0.189% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  28.31 +/- 4.43   0.224% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.25 +/- 2.39   0.398% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.5:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.31 +/- 0.42  84.465% * 99.2510% (1.00  10.0 10.00   3.73 127.52) =  99.992%  kept
        T HG3   GLU-  25 - HA    SER   82  21.49 +/- 8.32   0.966% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HA    GLU-  25  16.34 +/- 5.75   2.118% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    SER   82   9.73 +/- 0.65   3.843% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    SER   82  15.77 +/- 3.25   2.522% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  17.62 +/- 1.83   0.656% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.39 +/- 3.92   0.871% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  27.10 +/- 3.70   0.251% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  20.20 +/- 3.87   1.322% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.61 +/- 3.88   0.330% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  25.44 +/- 4.64   0.578% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  25.12 +/- 4.85   1.713% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  25.89 +/- 3.50   0.225% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  31.01 +/- 5.81   0.139% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.18 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.5:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.95 +/- 0.10  97.782% * 99.2383% (1.00  10.0 10.00   5.26 127.52) =  99.994%  kept
        T HA    SER   82 - HB2   GLU-  25  21.06 +/- 7.97   0.715% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   19 - HB2   GLU-  25  12.86 +/- 1.47   1.356% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB2   GLU-  25  26.56 +/- 2.57   0.147% *  0.0682% (0.69   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 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 = 5.26, residual support = 127.5:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  98.401% * 97.2368% (1.00  10.0 10.00   5.26 127.52) =  99.995%  kept
        T QB    GLU-  15 - HB2   GLU-  25  15.83 +/- 2.90   0.253% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLN   17 - HB2   GLU-  25  17.77 +/- 2.82   0.198% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HB2   GLU-  25  11.86 +/- 1.23   0.359% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  24.28 +/- 2.69   0.044% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.87 +/- 1.01   0.619% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.89 +/- 4.10   0.068% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  25.03 +/- 2.25   0.037% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  31.91 +/- 3.64   0.020% *  0.0872% (0.90   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 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.5:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.80 +/- 0.25  98.764% * 99.8559% (1.00  10.0 10.00   4.57 127.52) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  20.39 +/- 4.76   0.608% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.89 +/- 2.14   0.211% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  29.61 +/- 5.11   0.187% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  28.93 +/- 4.74   0.230% *  0.0278% (0.28   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 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.5:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.65 +/- 0.22  97.809% * 99.6757% (1.00  10.0 10.00   3.99 127.52) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  16.49 +/- 5.88   1.056% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB2   GLU-  25  18.14 +/- 2.17   0.378% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  25.71 +/- 4.92   0.355% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.69 +/- 4.05   0.187% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  27.77 +/- 3.36   0.104% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  26.84 +/- 3.31   0.111% *  0.0447% (0.45   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 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.72 +/- 0.14  98.197% * 98.4268% (1.00  10.0 10.00   5.00 127.52) =  99.987%  kept
        T HA    ILE   19 - HB3   GLU-  25  13.67 +/- 1.49   0.916% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.009%
        T HA    SER   82 - HB3   GLU-  25  20.20 +/- 8.23   0.765% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    CYS   53 - HB3   GLU-  25  26.29 +/- 2.70   0.121% *  0.0676% (0.69   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 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.5:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  99.437% * 98.0062% (1.00  10.0 10.00   5.26 127.52) =  99.997%  kept
        T QG    GLN   17 - HB3   GLU-  25  16.39 +/- 2.15   0.180% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB3   GLU-  25  20.68 +/- 1.92   0.069% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  19.39 +/- 4.09   0.108% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.16 +/- 4.99   0.155% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.20 +/- 1.13   0.051% *  0.0334% (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 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 = 127.5:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.81 +/- 0.21  98.756% * 99.8559% (1.00  10.0 10.00   4.44 127.52) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  19.91 +/- 4.95   0.660% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.75 +/- 2.31   0.219% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  29.56 +/- 5.35   0.161% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  28.89 +/- 5.00   0.205% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 127.5:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.48 +/- 0.20  97.740% * 99.2075% (1.00  10.0 10.00   3.87 127.52) =  99.998%  kept
          HB2   GLU-  79 - HB3   GLU-  25  16.03 +/- 5.96   1.283% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU- 114 - HB3   GLU-  25  26.46 +/- 4.25   0.147% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB3   GLU-  25  19.25 +/- 2.05   0.253% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  25.73 +/- 5.26   0.386% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  27.32 +/- 3.51   0.094% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  26.36 +/- 3.59   0.097% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.44 +/- 0.52  97.957% * 99.2383% (1.00  10.0 10.00   4.31 127.52) =  99.996%  kept
        T HA    SER   82 - HG2   GLU-  25  21.38 +/- 8.42   0.497% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HA    ILE   19 - HG2   GLU-  25  14.67 +/- 1.72   1.346% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG2   GLU-  25  27.62 +/- 3.25   0.200% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.5:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.80 +/- 0.25  97.470% * 99.7000% (1.00  10.0 10.00   4.57 127.52) =  99.999%  kept
          QG    GLN   17 - HG2   GLU-  25  17.13 +/- 2.49   0.691% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   GLU-  25  21.30 +/- 2.22   0.284% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  20.08 +/- 3.83   0.393% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.64 +/- 5.21   0.918% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.43 +/- 1.22   0.245% *  0.0340% (0.34   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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.5:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.81 +/- 0.21  95.660% * 99.4104% (1.00  10.0 10.00   4.44 127.52) =  99.997%  kept
          HB    ILE   19 - HG2   GLU-  25  13.44 +/- 1.50   1.035% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   GLU-  25  16.93 +/- 2.87   0.598% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  11.30 +/- 0.93   1.775% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  19.50 +/- 3.08   0.393% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.44 +/- 4.11   0.187% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  25.69 +/- 2.92   0.147% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  26.36 +/- 2.41   0.129% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.54 +/- 3.88   0.076% *  0.0892% (0.90   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 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 = 127.5:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.439% * 99.6757% (1.00  10.0 10.00   3.31 127.52) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  17.80 +/- 5.70   0.215% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  18.47 +/- 2.31   0.100% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  26.85 +/- 5.53   0.142% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  28.69 +/- 4.01   0.032% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  27.24 +/- 4.14   0.043% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  27.65 +/- 3.30   0.029% *  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 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.5:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.31 +/- 0.42  97.028% * 98.4268% (1.00  10.0 10.00   3.73 127.52) =  99.977%  kept
        T HA    ILE   19 - HG3   GLU-  25  15.02 +/- 1.95   1.640% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.016%
        T HA    SER   82 - HG3   GLU-  25  21.49 +/- 8.32   1.110% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HA    CYS   53 - HG3   GLU-  25  28.02 +/- 3.29   0.222% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.12 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.5:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.65 +/- 0.22  98.010% * 99.7000% (1.00  10.0 10.00   3.99 127.52) =  99.999%  kept
          QG    GLN   17 - HG3   GLU-  25  17.52 +/- 2.61   0.817% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   GLU-  25  21.99 +/- 2.53   0.301% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  20.82 +/- 3.67   0.266% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  22.61 +/- 4.95   0.425% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.44 +/- 1.31   0.181% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.12 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.5:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.48 +/- 0.20  96.722% * 98.6730% (1.00  10.0 10.00   3.87 127.52) =  99.997%  kept
        T QB    GLU- 114 - HG3   GLU-  25  28.01 +/- 4.35   0.133% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   GLU-  25  19.93 +/- 3.24   0.629% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   GLU-  25  13.91 +/- 1.59   0.705% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   GLU-  25  17.46 +/- 3.08   0.502% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  11.85 +/- 0.86   1.032% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  26.21 +/- 3.20   0.120% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  26.94 +/- 2.73   0.104% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  33.12 +/- 4.09   0.053% *  0.0885% (0.90   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 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.765% * 99.8559% (1.00  10.0 10.00   3.31 127.52) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  21.37 +/- 4.63   0.099% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  31.16 +/- 5.89   0.047% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  24.33 +/- 2.25   0.041% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  30.50 +/- 5.49   0.047% *  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 = 3.24, residual support = 34.8:
    * O T HB    THR   26 - HA    THR   26   3.03 +/- 0.02  99.195% * 99.8279% (1.00  10.0 10.00   3.24  34.79) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  19.82 +/- 2.85   0.543% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HA    THR   26  28.27 +/- 4.56   0.262% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.63 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.8:
    * O T QG2   THR   26 - HA    THR   26   2.59 +/- 0.11  96.296% * 99.3101% (1.00  10.0 10.00   3.24  34.79) =  99.997%  kept
        T HB3   LEU   40 - HA    THR   26  17.06 +/- 2.55   0.498% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  12.75 +/- 1.75   1.007% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  17.73 +/- 2.83   0.403% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  19.89 +/- 2.90   0.449% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  24.62 +/- 4.10   0.170% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.33 +/- 4.48   0.501% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.79 +/- 4.84   0.233% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  23.56 +/- 3.87   0.289% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  24.91 +/- 3.13   0.154% *  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 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.8:
    * O T HA    THR   26 - HB    THR   26   3.03 +/- 0.02  85.085% * 99.6617% (1.00  10.0 10.00   3.24  34.79) =  99.993%  kept
          HA1   GLY  101 - HB    THR   26  19.85 +/- 5.70   2.391% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - HB    THR   26   7.80 +/- 0.13   5.009% *  0.0308% (0.31   1.0  1.00   0.02   0.41) =   0.002%
          HA    ILE   19 - HB    THR   26   8.84 +/- 1.55   5.233% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB    THR   26  13.50 +/- 1.21   1.035% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB    THR   26  27.82 +/- 4.98   0.472% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.16 +/- 4.02   0.576% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  23.76 +/- 2.28   0.199% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.51 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 = 34.8:
    * O T QG2   THR   26 - HB    THR   26   2.15 +/- 0.01  96.815% * 99.4369% (1.00  10.0 10.00   3.00  34.79) =  99.998%  kept
          HB2   LYS+  74 - HB    THR   26  10.62 +/- 2.03   1.366% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA  120 - HB    THR   26  22.90 +/- 4.25   0.233% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  16.18 +/- 2.50   0.290% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  18.86 +/- 2.67   0.249% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  24.14 +/- 4.28   0.112% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.47 +/- 2.52   0.288% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  20.52 +/- 4.59   0.358% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.31 +/- 4.99   0.166% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.60 +/- 3.50   0.124% *  0.0135% (0.14   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 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.8:
    * O T HA    THR   26 - QG2   THR   26   2.59 +/- 0.11  77.588% * 98.6211% (1.00  10.0 10.00   3.24  34.79) =  99.985%  kept
        T HA    GLU- 114 - QG2   THR   26  22.91 +/- 3.98   0.440% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   19 - QG2   THR   26   6.15 +/- 1.78  13.544% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LEU  115 - QG2   THR   26  19.84 +/- 3.16   0.471% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QG2   THR   26   6.45 +/- 0.12   5.156% *  0.0304% (0.31   1.0  1.00   0.02   0.41) =   0.002%
          HA    ALA   34 - QG2   THR   26   9.69 +/- 1.21   1.787% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  16.01 +/- 4.38   0.813% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  19.80 +/- 1.98   0.200% *  0.0480% (0.49   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 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.8:
    * O T HB    THR   26 - QG2   THR   26   2.15 +/- 0.01  99.385% * 99.1149% (1.00  10.0 10.00   3.00  34.79) =  99.998%  kept
        T HA    SER  117 - QG2   THR   26  22.27 +/- 3.82   0.199% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  62 - QG2   THR   26  14.76 +/- 2.13   0.416% *  0.0915% (0.92   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 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 = 106.9:
    * O T HB2   TRP   27 - HA    TRP   27   2.90 +/- 0.08  98.646% * 99.8554% (1.00  10.0 10.00   4.74 106.93) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  15.08 +/- 3.35   1.088% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  21.63 +/- 1.97   0.266% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 106.9:
    * O T HB3   TRP   27 - HA    TRP   27   2.25 +/- 0.05  95.618% * 99.7166% (1.00  10.0 10.00   4.76 106.93) =  99.997%  kept
          HB2   PHE   97 - HA    TRP   27  16.06 +/- 3.51   2.043% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - HA    TRP   27  14.70 +/- 3.32   1.329% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    TRP   27  17.55 +/- 3.43   0.296% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  17.36 +/- 2.96   0.263% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  15.14 +/- 2.43   0.451% *  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 = 106.9:
    * O T HA    TRP   27 - HB2   TRP   27   2.90 +/- 0.08  99.001% * 99.7755% (1.00  10.0 10.00   4.74 106.93) =  99.999%  kept
          HA    VAL  107 - HB2   TRP   27  20.88 +/- 3.29   0.380% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   TRP   27  21.31 +/- 3.44   0.306% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  24.81 +/- 3.47   0.312% *  0.0525% (0.53   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 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 = 106.9:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  98.236% * 99.7166% (1.00  10.0 10.00   4.97 106.93) =  99.999%  kept
          HB2   PHE   97 - HB2   TRP   27  16.66 +/- 3.98   0.935% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB2   TRP   27  15.90 +/- 3.70   0.381% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.53 +/- 3.63   0.148% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  17.92 +/- 2.98   0.123% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  16.82 +/- 2.68   0.177% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 106.9:
    * O T HA    TRP   27 - HB3   TRP   27   2.25 +/- 0.05  99.480% * 99.7755% (1.00  10.0 10.00   4.76 106.93) = 100.000%  kept
          HA    VAL  107 - HB3   TRP   27  19.87 +/- 3.07   0.208% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   TRP   27  20.63 +/- 3.32   0.159% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  23.86 +/- 3.17   0.153% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 106.9:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.561% * 99.8554% (1.00  10.0 10.00   4.97 106.93) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  13.43 +/- 3.44   0.367% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  20.22 +/- 2.09   0.072% *  0.0999% (1.00   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 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 = 4.5, residual support = 94.7:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  88.923% * 99.2152% (1.00  10.0 10.00   4.50  94.76) =  99.980%  kept
        T HB2   ASN   35 - HA    ASN   28  10.96 +/- 1.27   2.272% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.011%
          QE    LYS+  33 - HA    ASN   28   8.89 +/- 1.32   4.552% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HA    ASN   28  16.23 +/- 7.33   2.101% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    ASN   28  17.09 +/- 2.91   0.967% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  19.89 +/- 3.57   0.431% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  16.51 +/- 3.09   0.753% *  0.0153% (0.15   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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 94.1:
    * O T HB3   ASN   28 - HA    ASN   28   2.55 +/- 0.10  94.033% * 87.1085% (1.00  10.0 10.00   4.19  94.76) =  99.149%  kept
          HG2   GLN   30 - HA    ASN   28   6.83 +/- 0.62   5.474% * 12.8372% (0.92   1.0  1.00   3.19  18.64) =   0.851%  kept
          QE    LYS+ 121 - HA    ASN   28  19.78 +/- 3.95   0.282% *  0.0391% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.38 +/- 3.95   0.211% *  0.0153% (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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.48, residual support = 93.8:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  62.735% * 92.9432% (1.00  10.0 10.00   4.50  94.76) =  98.870%  kept
          HA    ALA   34 - HB2   ASN   35   6.18 +/- 0.35   7.811% *  4.4627% (0.29   1.0  1.00   3.26  21.27) =   0.591%  kept
          HA    THR   26 - HB2   ASN   28   4.70 +/- 0.27  17.715% *  1.7459% (0.31   1.0  1.00   1.22   0.41) =   0.524%  kept
        T HA    ASN   28 - HB2   ASN   35  10.96 +/- 1.27   1.604% *  0.2891% (0.31   1.0 10.00   0.02   0.02) =   0.008%
          HA1   GLY  101 - HB2   ASN   35  13.10 +/- 7.14   5.667% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   28  11.96 +/- 0.48   1.064% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   28  17.03 +/- 5.80   1.208% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  115 - HB2   ASN   28  25.02 +/- 3.24   0.192% *  0.0927% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.56 +/- 3.84   0.126% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  27.43 +/- 3.82   0.120% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  20.92 +/- 6.47   0.406% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.11 +/- 0.85   0.662% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  29.71 +/- 4.52   0.094% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.80 +/- 2.46   0.113% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  25.86 +/- 5.49   0.179% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.63 +/- 4.78   0.119% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.99 +/- 2.89   0.080% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  28.30 +/- 4.90   0.104% *  0.0051% (0.05   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 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 = 5.45, residual support = 94.7:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  97.563% * 91.7258% (1.00  10.0 10.00   5.45  94.76) =  99.879%  kept
          HG2   GLN   30 - HB2   ASN   28   7.53 +/- 0.70   1.358% *  7.8875% (0.92   1.0  1.00   1.86  18.64) =   0.120%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.42 +/- 1.19   0.398% *  0.2853% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  11.79 +/- 0.90   0.341% *  0.0263% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  21.96 +/- 4.04   0.074% *  0.0411% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  19.24 +/- 4.24   0.126% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.62 +/- 4.03   0.048% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  22.34 +/- 4.68   0.093% *  0.0050% (0.05   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 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 94.8:
    * O T HA    ASN   28 - HB3   ASN   28   2.55 +/- 0.10  90.745% * 99.4977% (1.00  10.0 10.00   4.19  94.76) =  99.995%  kept
          HA    THR   26 - HB3   ASN   28   6.24 +/- 0.29   6.527% *  0.0307% (0.31   1.0  1.00   0.02   0.41) =   0.002%
          HA    ALA   34 - HB3   ASN   28  11.53 +/- 0.34   0.994% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB3   ASN   28  16.24 +/- 5.71   0.990% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  24.85 +/- 2.92   0.147% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.75 +/- 3.93   0.110% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.34 +/- 3.46   0.098% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  21.31 +/- 6.89   0.309% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  29.53 +/- 4.40   0.080% *  0.0523% (0.53   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 94.8:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.132% * 99.2152% (1.00  10.0 10.00   5.45  94.76) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.42 +/- 1.19   0.400% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.56 +/- 1.46   0.779% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  17.54 +/- 7.85   0.352% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  18.82 +/- 3.16   0.154% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  21.45 +/- 3.73   0.071% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  18.23 +/- 3.14   0.112% *  0.0153% (0.15   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 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 = 0.997, support = 4.93, residual support = 92.4:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.94 +/- 0.16  58.851% * 98.3644% (1.00  10.0 10.00   4.93  92.49) =  99.958%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.34 +/- 0.94   2.816% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   GLU-  29 - HA    GLN   32   7.91 +/- 0.28   3.065% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   PHE   72 - HA    GLU-  29  13.50 +/- 2.35   1.054% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   PHE   72 - HA    LYS+  33  12.84 +/- 2.94   1.351% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    GLU-  29  12.49 +/- 3.24   5.408% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    GLN   32  13.32 +/- 5.56  11.171% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - HA    GLU-  29  14.29 +/- 3.52   2.253% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  16.40 +/- 4.54   0.891% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    LYS+  33   9.80 +/- 2.60   3.889% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  13.80 +/- 5.49   1.529% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.12 +/- 3.38   0.218% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  18.80 +/- 2.72   0.267% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  24.61 +/- 2.80   0.126% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.05 +/- 2.60   1.117% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  12.35 +/- 2.73   1.966% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.65 +/- 2.47   0.979% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.88 +/- 2.79   0.078% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.21 +/- 1.33   0.265% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  23.47 +/- 3.91   0.156% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.27 +/- 2.84   0.645% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.56 +/- 2.97   0.174% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.49 +/- 2.98   0.211% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.12 +/- 3.28   0.133% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  23.88 +/- 2.48   0.125% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.81 +/- 1.75   0.268% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.64 +/- 2.59   0.164% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.39 +/- 2.69   0.069% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.09 +/- 2.50   0.182% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.25 +/- 3.02   0.078% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.52 +/- 1.42   0.253% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  24.05 +/- 3.79   0.143% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  25.51 +/- 2.76   0.105% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.20 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.86, support = 5.2, residual support = 91.6:
      O   HB3   GLU-  29 - HA    GLU-  29   2.56 +/- 0.19  42.208% * 43.8601% (0.80  10.0  1.00   5.23  92.49) =  65.178%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.57 +/- 0.34  17.552% * 54.7747% (1.00  10.0 10.00   5.23  92.49) =  33.848%  kept
          QB    GLU-  36 - HA    LYS+  33   3.23 +/- 0.86  28.036% *  0.9773% (0.13   1.0  1.00   2.67   0.02) =   0.965%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.43 +/- 1.30   0.946% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          QB    GLU-  36 - HA    GLU-  29   9.13 +/- 1.35   1.022% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  33   7.23 +/- 1.09   2.080% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.22 +/- 0.37   1.946% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.59 +/- 0.70   2.613% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.71 +/- 0.48   1.135% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.01 +/- 0.59   1.010% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.25 +/- 0.65   0.256% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.21 +/- 0.76   0.764% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  19.52 +/- 4.80   0.150% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  26.89 +/- 3.86   0.042% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.76 +/- 4.20   0.077% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  21.96 +/- 4.55   0.093% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  27.54 +/- 3.90   0.040% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  29.19 +/- 2.76   0.031% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.997, support = 4.69, residual support = 92.5:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.72 +/- 0.59  82.734% * 99.0116% (1.00  10.0 10.00   4.69  92.49) =  99.962%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.47 +/- 1.43   6.816% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.023%
        T HG2   GLU-  29 - HA    GLN   32   7.57 +/- 0.64   4.873% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.013%
          HB3   ASP-  86 - HA    GLU-  29  20.57 +/- 7.00   0.628% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    GLU-  29  21.53 +/- 2.29   0.258% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  21.31 +/- 7.74   0.657% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  22.91 +/- 2.79   0.202% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  18.32 +/- 4.02   0.531% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.05 +/- 3.90   0.144% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  23.58 +/- 6.31   0.309% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.81 +/- 2.28   0.178% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  22.18 +/- 2.35   0.251% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.48 +/- 4.39   0.722% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  22.52 +/- 3.36   0.215% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.32 +/- 1.95   0.192% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  22.94 +/- 2.56   0.193% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.52 +/- 4.68   0.146% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  19.10 +/- 3.34   0.407% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.88 +/- 4.08   0.159% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.96 +/- 2.48   0.215% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.00 +/- 2.61   0.171% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.19 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.92, residual support = 92.4:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.94 +/- 0.16  87.110% * 98.1508% (1.00  10.0 10.00   4.93  92.49) =  99.926%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.34 +/- 0.94   4.228% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.046%
        T HA    GLN   32 - HB2   GLU-  29   7.91 +/- 0.28   4.537% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.023%
          HA    VAL   18 - HB2   GLU-  29  12.95 +/- 2.09   2.167% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HB2   GLU-  29  22.18 +/- 8.49   0.633% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  16.59 +/- 2.33   0.659% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   GLU-  29  24.89 +/- 3.06   0.178% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  26.81 +/- 3.60   0.159% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  24.05 +/- 4.28   0.216% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  28.28 +/- 2.90   0.113% *  0.0274% (0.28   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 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 = 0.871, support = 4.51, residual support = 92.5:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  69.184% * 44.1051% (0.80  10.0  1.00   4.51  92.49) =  64.708%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.32 +/- 0.07  30.214% * 55.0806% (1.00  10.0 10.00   4.50  92.49) =  35.291%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  18.16 +/- 5.00   0.113% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   GLU-  29  26.46 +/- 3.86   0.024% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.52 +/- 1.34   0.371% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.06 +/- 0.76   0.092% *  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 = 4.14, residual support = 92.5:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.88 +/- 0.13  97.986% * 99.6674% (1.00  10.0 10.00   4.14  92.49) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  20.49 +/- 6.43   0.517% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB2   GLU-  29  22.38 +/- 3.08   0.344% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  21.00 +/- 2.42   0.279% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  25.77 +/- 3.99   0.180% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.82 +/- 3.93   0.501% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.98 +/- 2.46   0.194% *  0.0249% (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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.4:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.72 +/- 0.59  85.038% * 98.1508% (1.00  10.0 10.00   4.69  92.49) =  99.893%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.47 +/- 1.43   7.007% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.078%
        T HA    GLN   32 - HG2   GLU-  29   7.57 +/- 0.64   5.009% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.026%
          HA    VAL   18 - HG2   GLU-  29  14.18 +/- 2.18   1.252% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  23.07 +/- 8.62   0.474% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   GLU-  29  17.49 +/- 2.39   0.631% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   GLU-  29  26.21 +/- 2.79   0.152% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  24.93 +/- 4.74   0.186% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  27.84 +/- 3.43   0.117% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  29.56 +/- 2.92   0.134% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 92.5:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.13  82.717% * 99.5124% (1.00  10.0 10.00   4.14  92.49) =  99.994%  kept
          QG    GLU-  14 - HG2   GLU-  29  14.16 +/- 4.14   8.045% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HG2   GLU-  29  12.91 +/- 3.69   6.080% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   GLU-  29  17.90 +/- 4.48   0.901% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  14.56 +/- 2.31   0.837% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.47 +/- 3.81   0.273% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  18.71 +/- 3.13   0.404% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  25.57 +/- 3.02   0.152% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  28.63 +/- 2.98   0.094% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.01 +/- 1.60   0.308% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  24.10 +/- 4.09   0.188% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.38 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 4.24, residual support = 92.5:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  77.677% * 55.3193% (1.00  10.0 10.00   4.20  92.49) =  81.802%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.75 +/- 0.22  21.578% * 44.2962% (0.80  10.0 10.00   4.40  92.49) =  18.196%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.57 +/- 1.86   0.514% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HG2   GLU-  29  16.10 +/- 1.04   0.106% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  19.36 +/- 5.03   0.102% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  27.56 +/- 4.01   0.024% *  0.0523% (0.95   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 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 = 0.953, support = 4.86, residual support = 159.0:
    * O T HB2   GLN   30 - HA    GLN   30   2.71 +/- 0.16  51.580% * 53.1933% (1.00  10.0 10.00   4.80 159.02) =  64.520%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.21 +/- 0.40  32.695% * 46.1414% (0.87  10.0 10.00   4.97 159.02) =  35.475%  kept
          QB    GLU-  15 - HA    GLN   30   9.24 +/- 2.88  13.566% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HA    GLN   30  15.81 +/- 4.37   0.599% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HA    GLN   30  22.50 +/- 1.64   0.098% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLN   30  12.33 +/- 2.58   0.853% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.05 +/- 3.25   0.300% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  29.21 +/- 2.77   0.044% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  23.29 +/- 3.06   0.093% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.99 +/- 3.33   0.087% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.30 +/- 3.85   0.085% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 5.2, residual support = 156.9:
    * O T HB3   GLN   30 - HA    GLN   30   2.97 +/- 0.05  57.103% * 97.5592% (1.00  10.0 10.00   5.25 159.02) =  98.643%  kept
          QB    LYS+  33 - HA    GLN   30   3.63 +/- 0.88  39.506% *  1.9353% (0.25   1.0  1.00   1.59   0.28) =   1.354%  kept
          HB3   LYS+  38 - HA    GLN   30  12.89 +/- 1.03   0.743% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HA    GLN   30  22.67 +/- 3.43   0.217% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  17.66 +/- 4.43   0.887% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.40 +/- 2.74   0.293% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.77 +/- 2.80   0.141% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.11 +/- 2.31   0.106% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.10 +/- 3.56   0.557% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  21.47 +/- 5.01   0.230% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  24.88 +/- 3.07   0.111% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  27.41 +/- 3.81   0.106% *  0.0151% (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 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 158.6:
    * O T HG2   GLN   30 - HA    GLN   30   2.58 +/- 0.45  94.429% * 93.7562% (1.00  10.0 10.00   5.77 159.02) =  99.666%  kept
          HB3   ASN   28 - HA    GLN   30   7.60 +/- 0.12   4.817% *  6.1474% (0.92   1.0  1.00   1.42  18.64) =   0.333%  kept
          QE    LYS+ 121 - HA    GLN   30  19.02 +/- 3.42   0.376% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.77 +/- 4.51   0.378% *  0.0320% (0.34   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 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 159.0:
    * O T HA    GLN   30 - HB2   GLN   30   2.71 +/- 0.16  90.950% * 99.6678% (1.00  10.0 10.00   4.80 159.02) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30   9.81 +/- 2.65   3.893% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   GLN   30  13.57 +/- 2.72   1.417% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30  10.32 +/- 1.67   2.374% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  20.63 +/- 6.99   0.513% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.97 +/- 2.25   0.193% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.83 +/- 2.88   0.142% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  19.83 +/- 2.83   0.289% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.94 +/- 3.17   0.230% *  0.0175% (0.18   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 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 = 5.04, residual support = 159.0:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  95.171% * 98.9590% (1.00  10.0 10.00   5.04 159.02) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.54 +/- 0.71   3.605% *  0.0247% (0.25   1.0  1.00   0.02   0.28) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  16.58 +/- 2.87   0.146% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.34 +/- 1.23   0.237% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  20.92 +/- 3.23   0.085% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  25.39 +/- 3.48   0.040% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.31 +/- 3.61   0.295% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.73 +/- 2.66   0.059% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.77 +/- 2.42   0.048% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  19.66 +/- 5.07   0.116% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  18.93 +/- 3.94   0.145% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  22.56 +/- 3.24   0.054% *  0.0305% (0.31   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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 158.6:
    * O T HG2   GLN   30 - HB2   GLN   30   2.82 +/- 0.24  94.197% * 94.2834% (1.00  10.0 10.00   5.52 159.02) =  99.703%  kept
          HB3   ASN   28 - HB2   GLN   30   7.73 +/- 0.56   4.701% *  5.6196% (0.92   1.0  1.00   1.29  18.64) =   0.297%  kept
          QE    LYS+ 121 - HB2   GLN   30  17.78 +/- 3.44   0.558% *  0.0648% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  19.39 +/- 4.49   0.544% *  0.0322% (0.34   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 159.0:
    * O T HA    GLN   30 - HB3   GLN   30   2.97 +/- 0.05  87.943% * 99.5115% (1.00  10.0 10.00   5.25 159.02) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30  10.36 +/- 2.68   5.748% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - HB3   GLN   30  22.29 +/- 2.90   0.270% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  13.87 +/- 3.04   1.628% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30  10.95 +/- 1.72   2.876% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  19.99 +/- 7.10   0.758% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  22.08 +/- 2.17   0.239% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.83 +/- 2.86   0.181% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  19.63 +/- 2.70   0.357% *  0.0154% (0.15   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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.973, support = 5.08, residual support = 159.0:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  74.920% * 53.1733% (1.00  10.0 10.00   5.04 159.02) =  79.295%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.67 +/- 0.23  22.552% * 46.1240% (0.87  10.0  1.00   5.22 159.02) =  20.704%  kept
        T HB2   ARG+  54 - HB3   GLN   30  25.36 +/- 3.72   0.043% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  10.42 +/- 2.25   1.723% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  15.65 +/- 3.99   0.189% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  21.93 +/- 2.87   0.066% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.96 +/- 2.80   0.125% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.45 +/- 1.65   0.259% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  21.87 +/- 3.35   0.047% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  20.23 +/- 1.48   0.053% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  27.24 +/- 2.41   0.022% *  0.0118% (0.22   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 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 = 6.01, residual support = 158.4:
    * O T HG2   GLN   30 - HB3   GLN   30   2.75 +/- 0.26  92.924% * 93.7590% (1.00  10.0 10.00   6.03 159.02) =  99.573%  kept
          HB3   ASN   28 - HB3   GLN   30   6.91 +/- 0.40   6.071% *  6.1446% (0.92   1.0  1.00   1.42  18.64) =   0.426%  kept
          QE    LYS+ 121 - HB3   GLN   30  18.18 +/- 3.37   0.454% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  19.95 +/- 4.16   0.551% *  0.0320% (0.34   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 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 159.0:
    * O T HA    GLN   30 - HG2   GLN   30   2.58 +/- 0.45  91.816% * 99.6678% (1.00  10.0 10.00   5.77 159.02) =  99.997%  kept
          HB    THR   39 - HG2   GLN   30  10.94 +/- 3.07   2.744% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  21.29 +/- 6.89   0.857% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG2   GLN   30  12.82 +/- 3.16   1.364% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.94 +/- 2.22   2.314% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  22.80 +/- 2.51   0.229% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.70 +/- 2.78   0.138% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  21.29 +/- 2.67   0.303% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.76 +/- 3.43   0.235% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.898, support = 6.31, residual support = 159.0:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  72.833% * 46.1414% (0.87  10.0 10.00   6.55 159.02) =  77.072%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.82 +/- 0.24  18.793% * 53.1933% (1.00  10.0 10.00   5.52 159.02) =  22.926%  kept
          QB    GLU-  15 - HG2   GLN   30   9.59 +/- 2.60   7.485% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   PRO   93 - HG2   GLN   30  21.50 +/- 1.96   0.043% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.93 +/- 3.82   0.132% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  11.38 +/- 2.40   0.440% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  22.67 +/- 3.41   0.062% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  16.83 +/- 2.97   0.125% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  28.45 +/- 2.94   0.019% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.46 +/- 3.50   0.038% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.96 +/- 3.59   0.030% *  0.0461% (0.87   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.03, residual support = 159.0:
    * O T HB3   GLN   30 - HG2   GLN   30   2.75 +/- 0.26  81.726% * 99.4599% (1.00  10.0 10.00   6.03 159.02) =  99.993%  kept
          QB    LYS+  33 - HG2   GLN   30   5.57 +/- 0.90  13.781% *  0.0248% (0.25   1.0  1.00   0.02   0.28) =   0.004%
          HB3   LYS+  38 - HG2   GLN   30  14.57 +/- 1.44   0.702% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  21.69 +/- 3.71   0.300% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  17.87 +/- 4.60   1.146% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.12 +/- 3.96   1.022% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.74 +/- 2.83   0.193% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.18 +/- 2.75   0.382% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  24.03 +/- 2.46   0.138% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  20.16 +/- 4.96   0.334% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  23.91 +/- 3.35   0.146% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  26.10 +/- 3.66   0.129% *  0.0153% (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 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   3.01 +/- 0.02  76.165% * 99.2507% (1.00  10.0 10.00   6.00 230.79) =  99.978%  kept
          HG2   LYS+  99 - HA    LEU   31  11.83 +/- 4.29   8.955% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          HG    LEU   98 - HA    LEU   31  11.11 +/- 4.53   6.315% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HA    LEU   31   9.61 +/- 1.59   4.562% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - HA    LEU   31  19.47 +/- 6.87   0.743% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LEU   31  16.58 +/- 3.16   0.734% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  14.91 +/- 1.55   0.705% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  17.46 +/- 4.03   0.600% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  20.40 +/- 3.97   0.378% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  17.63 +/- 3.19   0.478% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  27.90 +/- 2.73   0.107% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.93 +/- 1.81   0.258% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.8:
    * O T HB3   LEU   31 - HA    LEU   31   2.39 +/- 0.07  96.769% * 99.6763% (1.00  10.0 10.00   6.00 230.79) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.32 +/- 0.88   0.975% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  11.02 +/- 0.41   1.014% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.49 +/- 3.07   0.241% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  19.98 +/- 4.72   0.245% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  25.22 +/- 3.90   0.118% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.97 +/- 2.13   0.302% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.57 +/- 2.20   0.336% *  0.0135% (0.14   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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.93, residual support = 228.1:
    * O T HG    LEU   31 - HA    LEU   31   2.93 +/- 0.53  56.519% * 93.8558% (0.80  10.0 10.00   5.98 230.79) =  98.826%  kept
          QD2   LEU   73 - HA    LEU   31   6.51 +/- 2.38  10.455% *  5.9317% (0.92   1.0  1.00   1.10   2.00) =   1.155%  kept
          QG1   VAL   41 - HA    LEU   31   4.88 +/- 2.48  32.404% *  0.0292% (0.25   1.0  1.00   0.02   0.02) =   0.018%
          QD1   ILE   56 - HA    LEU   31  19.05 +/- 2.51   0.266% *  0.1170% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HA    LEU   31  19.51 +/- 4.89   0.355% *  0.0664% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 230.8:
    *   T QD1   LEU   31 - HA    LEU   31   3.62 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.85 230.79) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.21 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 230.8:
    *   T QD2   LEU   31 - HA    LEU   31   2.90 +/- 0.66  91.466% * 99.6345% (1.00 10.00   5.74 230.79) =  99.984%  kept
        T QG2   VAL   43 - HA    LEU   31   9.28 +/- 2.85   4.989% *  0.2484% (0.25 10.00   0.02   0.02) =   0.014%
          QG2   VAL   83 - HA    LEU   31  14.47 +/- 5.17   2.267% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  14.32 +/- 2.72   1.278% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.29 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 230.8:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.79) = 100.000%  kept
    Distance limit 3.61 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 = 230.8:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.697% * 99.6763% (1.00  10.0 10.00   6.00 230.79) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.80 +/- 0.32   0.571% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.11 +/- 0.87   0.320% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.08 +/- 3.05   0.069% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  21.54 +/- 4.92   0.079% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  26.26 +/- 3.87   0.038% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.88 +/- 2.28   0.108% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.43 +/- 2.27   0.117% *  0.0135% (0.14   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 5.99, residual support = 230.6:
    * O T HG    LEU   31 - HB2   LEU   31   2.73 +/- 0.31  81.795% * 99.0076% (0.80  10.0 10.00   6.00 230.79) =  99.939%  kept
          QD2   LEU   73 - HB2   LEU   31   7.52 +/- 2.27   5.919% *  0.7682% (0.92   1.0  1.00   0.13   2.00) =   0.056%
          QG1   VAL   41 - HB2   LEU   31   6.66 +/- 2.51  11.637% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HB2   LEU   31  20.04 +/- 2.55   0.369% *  0.1234% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   LEU   31  20.98 +/- 5.16   0.280% *  0.0700% (0.57   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 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 230.8:
    * O T QD1   LEU   31 - HB2   LEU   31   2.62 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   4.86 230.79) = 100.000%  kept
    Distance limit 3.35 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 = 5.75, residual support = 230.7:
    * O T QD2   LEU   31 - HB2   LEU   31   2.56 +/- 0.51  89.061% * 99.6345% (1.00  10.0 10.00   5.75 230.79) =  99.979%  kept
        T QG2   VAL   43 - HB2   LEU   31   9.84 +/- 3.13   6.120% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.017%
          QG2   VAL   83 - HB2   LEU   31  14.21 +/- 5.98   3.564% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HB2   LEU   31  14.55 +/- 3.45   1.255% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 230.8:
    * O T HA    LEU   31 - HB3   LEU   31   2.39 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.79) = 100.000%  kept
    Distance limit 3.31 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 = 230.8:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  88.346% * 99.2507% (1.00  10.0 10.00   6.00 230.79) =  99.992%  kept
          HG    LEU   98 - HB3   LEU   31  10.75 +/- 5.11   8.274% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HB3   LEU   31  10.27 +/- 2.10   1.353% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HB3   LEU   31  12.07 +/- 4.13   1.061% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   LEU   31  19.38 +/- 7.40   0.203% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  17.47 +/- 3.07   0.140% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.45 +/- 1.98   0.154% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  17.20 +/- 4.71   0.168% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  16.98 +/- 4.05   0.141% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.16 +/- 3.91   0.072% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  27.74 +/- 2.94   0.026% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  21.03 +/- 2.34   0.061% *  0.0372% (0.38   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 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 = 5.95, residual support = 229.2:
    * O T HG    LEU   31 - HB3   LEU   31   2.80 +/- 0.17  67.375% * 92.0626% (0.80  10.0 10.00   5.99 230.79) =  99.306%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.29 +/- 2.29   5.927% *  7.1431% (0.92   1.0 10.00   0.13   2.00) =   0.678%  kept
          QG1   VAL   41 - HB3   LEU   31   5.54 +/- 2.54  26.092% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.012%
        T HG3   LYS+ 121 - HB3   LEU   31  19.77 +/- 5.30   0.319% *  0.6509% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   31  19.36 +/- 2.69   0.287% *  0.1147% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 4.86, residual support = 230.8:
    * O T QD1   LEU   31 - HB3   LEU   31   2.09 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   4.86 230.79) = 100.000%  kept
    Distance limit 3.24 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 = 5.74, residual support = 230.7:
    * O T QD2   LEU   31 - HB3   LEU   31   2.93 +/- 0.28  89.517% * 99.6345% (1.00  10.0 10.00   5.75 230.79) =  99.979%  kept
        T QG2   VAL   43 - HB3   LEU   31   9.27 +/- 3.15   6.648% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.019%
          QG2   VAL   83 - HB3   LEU   31  14.20 +/- 5.79   2.550% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  14.07 +/- 3.39   1.284% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 5.98, residual support = 230.8:
    * O T HA    LEU   31 - HG    LEU   31   2.93 +/- 0.53 100.000% *100.0000% (0.80  10.0 10.00   5.98 230.79) = 100.000%  kept
    Distance limit 4.00 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 = 6.0, residual support = 230.8:
    * O T HB2   LEU   31 - HG    LEU   31   2.73 +/- 0.31  80.311% * 99.2507% (0.80  10.0 10.00   6.00 230.79) =  99.983%  kept
          HG2   LYS+  99 - HG    LEU   31  12.91 +/- 3.81   6.708% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   98 - HG    LEU   31  10.81 +/- 4.02   4.947% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HG    LEU   31  11.99 +/- 2.24   3.094% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HG    LEU   31  17.30 +/- 7.45   1.111% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HG    LEU   31  16.46 +/- 3.37   1.106% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  14.06 +/- 1.88   0.778% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  15.74 +/- 4.62   0.743% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  16.20 +/- 3.75   0.556% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.35 +/- 3.52   0.231% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.81 +/- 2.23   0.305% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  26.96 +/- 2.71   0.111% *  0.0984% (0.79   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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.99, residual support = 230.8:
    * O T HB3   LEU   31 - HG    LEU   31   2.80 +/- 0.17  92.801% * 99.4283% (0.80  10.0 10.00   5.99 230.79) =  99.995%  kept
          QG1   VAL   24 - HG    LEU   31   8.99 +/- 0.66   3.219% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  10.55 +/- 0.85   1.943% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HG    LEU   31  20.60 +/- 4.39   0.348% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  20.44 +/- 3.09   0.380% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  24.45 +/- 3.81   0.184% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.52 +/- 1.83   0.529% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.01 +/- 1.97   0.596% *  0.0135% (0.11   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 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 = 4.97, residual support = 230.8:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.01 100.000% *100.0000% (0.80  10.0 10.00   4.97 230.79) = 100.000%  kept
    Distance limit 3.28 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 = 5.87, residual support = 230.8:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.01  93.327% * 99.6345% (0.80  10.0 10.00   5.88 230.79) =  99.988%  kept
        T QG2   VAL   43 - HG    LEU   31   8.14 +/- 2.92   3.783% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.010%
          QG2   VAL   83 - HG    LEU   31  12.63 +/- 5.76   2.224% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HG    LEU   31  12.96 +/- 3.18   0.667% *  0.0447% (0.36   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 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 230.8:
    *   T HA    LEU   31 - QD1   LEU   31   3.62 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.85 230.79) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 230.7:
    * O T HB2   LEU   31 - QD1   LEU   31   2.62 +/- 0.14  68.083% * 99.2507% (1.00  10.0 10.00   4.86 230.79) =  99.971%  kept
          HG    LEU   98 - QD1   LEU   31   8.30 +/- 3.98  17.223% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.013%
          HG2   LYS+  99 - QD1   LEU   31  10.49 +/- 3.10   3.400% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QD1   LEU   31  10.29 +/- 2.02   3.349% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD1   LEU   31  14.36 +/- 6.50   2.180% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD1   LEU   31  11.69 +/- 2.20   1.258% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD1   LEU   31  13.87 +/- 2.87   1.094% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  12.82 +/- 4.32   1.475% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  12.79 +/- 3.76   1.039% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   31  16.09 +/- 2.51   0.473% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  17.85 +/- 3.12   0.273% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  21.80 +/- 2.62   0.153% *  0.0984% (0.99   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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 230.8:
    * O T HB3   LEU   31 - QD1   LEU   31   2.09 +/- 0.12  94.932% * 99.6763% (1.00  10.0 10.00   4.86 230.79) =  99.998%  kept
          QG1   VAL   24 - QD1   LEU   31   7.58 +/- 0.64   2.333% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31   9.77 +/- 0.87   1.023% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  16.87 +/- 2.82   0.271% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.94 +/- 3.15   0.153% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  13.28 +/- 2.11   0.482% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  16.78 +/- 4.25   0.303% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.85 +/- 1.99   0.503% *  0.0135% (0.14   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 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.96, residual support = 230.6:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.01  78.733% * 99.0076% (0.80  10.0 10.00   4.97 230.79) =  99.907%  kept
          QD2   LEU   73 - QD1   LEU   31   5.27 +/- 1.84   8.928% *  0.7682% (0.92   1.0  1.00   0.13   2.00) =   0.088%
          QG1   VAL   41 - QD1   LEU   31   4.97 +/- 1.90  11.672% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - QD1   LEU   31  15.22 +/- 2.58   0.385% *  0.1234% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD1   LEU   31  16.23 +/- 4.42   0.283% *  0.0700% (0.57   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 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 = 0.999, support = 4.62, residual support = 230.7:
    * O T QD2   LEU   31 - QD1   LEU   31   2.00 +/- 0.07  79.373% * 99.6345% (1.00  10.0 10.00   4.62 230.79) =  99.948%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.44 +/- 2.93  15.118% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.047%
          QG2   VAL   83 - QD1   LEU   31  10.29 +/- 5.17   4.219% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   89 - QD1   LEU   31  10.33 +/- 3.26   1.290% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    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 = 5.74, residual support = 230.8:
    *   T HA    LEU   31 - QD2   LEU   31   2.90 +/- 0.66  94.825% * 99.9324% (1.00 10.00   5.74 230.79) =  99.996%  kept
        T HA    LEU   31 - QG2   VAL   43   9.28 +/- 2.85   5.175% *  0.0676% (0.07 10.00   0.02   0.02) =   0.004%
    Distance limit 3.04 A violated in 0 structures by 0.23 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 230.7:
    * O T HB2   LEU   31 - QD2   LEU   31   2.56 +/- 0.51  49.513% * 98.7715% (1.00  10.0 10.00   5.75 230.79) =  99.965%  kept
          HG    LEU   98 - QD2   LEU   31   9.18 +/- 3.63   8.794% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.009%
        T QB    ALA   84 - QD2   LEU   31  12.93 +/- 3.78   0.920% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LEU   31 - QG2   VAL   43   9.84 +/- 3.13   3.178% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD2   LEU   31  14.10 +/- 6.16   1.497% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - QD2   LEU   31  11.12 +/- 3.06   1.686% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  38 - QD2   LEU   31  10.60 +/- 1.50   1.097% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD2   LEU   31  11.58 +/- 1.88   0.983% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD2   LEU   31  13.57 +/- 2.69   0.656% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   6.52 +/- 2.05  12.155% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QG2   VAL   43   5.98 +/- 0.59   5.609% *  0.0054% (0.05   1.0  1.00   0.02  16.61) =   0.001%
          HB3   LEU   80 - QG2   VAL   43   9.64 +/- 3.65   3.346% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  13.45 +/- 3.12   0.553% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.72 +/- 3.21   0.317% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  16.32 +/- 1.93   0.284% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  22.28 +/- 2.25   0.095% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.14 +/- 1.76   1.213% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   8.08 +/- 2.04   2.576% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.56 +/- 2.09   2.238% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.64 +/- 1.90   1.762% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.91 +/- 1.19   0.656% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.60 +/- 1.42   0.363% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  16.62 +/- 1.66   0.214% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.69 +/- 2.42   0.297% *  0.0043% (0.04   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 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 230.8:
    * O T HB3   LEU   31 - QD2   LEU   31   2.93 +/- 0.28  57.104% * 99.5873% (1.00  10.0 10.00   5.75 230.79) =  99.984%  kept
        T HB3   LEU   31 - QG2   VAL   43   9.27 +/- 3.15   4.364% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   24 - QD2   LEU   31   6.93 +/- 0.76   5.321% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - QD2   LEU   31   8.40 +/- 0.85   2.817% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - QD2   LEU   31  16.85 +/- 2.82   0.555% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   VAL   43   9.00 +/- 2.71   9.551% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   VAL   43   9.06 +/- 3.22  10.213% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - QD2   LEU   31  20.20 +/- 3.16   0.237% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.16 +/- 4.27   0.401% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.70 +/- 2.06   0.635% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.26 +/- 2.10   0.760% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.07 +/- 2.02   0.893% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.52 +/- 1.46   3.465% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  14.85 +/- 3.13   0.745% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.17 +/- 1.22   2.191% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.67 +/- 3.25   0.746% *  0.0019% (0.02   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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.799, support = 5.84, residual support = 229.5:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  48.880% * 97.9933% (0.80  10.0 10.00   5.88 230.79) =  99.440%  kept
          QD2   LEU   73 - QD2   LEU   31   4.32 +/- 2.07  16.626% *  0.7603% (0.92   1.0  1.00   0.13   2.00) =   0.262%  kept
          QG1   VAL   41 - QD2   LEU   31   5.05 +/- 2.37  14.777% *  0.6869% (0.25   1.0  1.00   0.45   0.02) =   0.211%  kept
          QD2   LEU   73 - QG2   VAL   43   4.76 +/- 2.26  14.060% *  0.2867% (0.06   1.0  1.00   0.75   4.69) =   0.084%
        T HG    LEU   31 - QG2   VAL   43   8.14 +/- 2.92   1.701% *  0.0663% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - QD2   LEU   31  15.23 +/- 2.07   0.190% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.67 +/- 4.53   0.162% *  0.0693% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.20 +/- 1.22   2.744% *  0.0021% (0.02   1.0  1.00   0.02   1.16) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.30 +/- 1.72   0.579% *  0.0083% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.01 +/- 3.43   0.282% *  0.0047% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 230.8:
    * O T QD1   LEU   31 - QD2   LEU   31   2.00 +/- 0.07  83.988% * 99.9324% (1.00  10.0 10.00   4.62 230.79) =  99.987%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.44 +/- 2.93  16.012% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.013%
    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 = 0.69, support = 3.34, residual support = 38.2:
    * O T QB    GLN   32 - HA    GLN   32   2.50 +/- 0.04  40.472% * 48.6885% (0.69  10.0 10.00   3.10  44.41) =  79.253%  kept
        T QB    GLN   32 - HA    LYS+  33   3.97 +/- 0.09  10.076% * 50.1038% (0.71   1.0 10.00   4.34  14.99) =  20.305%  kept
        T QB    GLN   32 - HA    GLU-  29   2.78 +/- 0.44  32.828% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.418%  kept
          HG3   GLU- 100 - HA    GLN   32  13.97 +/- 5.62   9.990% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.016%
          HB2   PRO   68 - HA    LYS+  33  17.60 +/- 4.92   1.401% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLU- 100 - HA    LYS+  33  14.39 +/- 5.62   0.792% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.76 +/- 0.39   0.516% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    GLN   32  19.63 +/- 3.92   0.252% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.26 +/- 0.66   0.219% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  15.00 +/- 4.03   1.805% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  17.05 +/- 4.42   0.285% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.40 +/- 0.60   0.143% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  26.88 +/- 3.24   0.046% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.10 +/- 2.79   0.588% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.77 +/- 2.59   0.040% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.84 +/- 3.79   0.034% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.00 +/- 3.28   0.100% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  26.79 +/- 3.02   0.044% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.89 +/- 3.52   0.026% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  30.19 +/- 3.78   0.037% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  16.08 +/- 3.27   0.306% *  0.0075% (0.11   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 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.683, support = 3.19, residual support = 40.1:
    * O T QG    GLN   32 - HA    GLN   32   2.20 +/- 0.13  69.580% * 46.0642% (0.69  10.0 10.00   3.10  44.41) =  86.554%  kept
        T QG    GLN   32 - HA    LYS+  33   4.64 +/- 0.46   8.550% * 47.4032% (0.71   1.0 10.00   4.53  14.99) =  10.945%  kept
        T QG    GLN   32 - HA    GLU-  29   4.48 +/- 0.74  15.892% *  5.7902% (0.45   1.0 10.00   0.39   0.02) =   2.485%  kept
        T HB2   GLU- 100 - HA    GLN   32  14.19 +/- 5.61   3.818% *  0.1281% (0.19   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   GLU- 100 - HA    LYS+  33  14.87 +/- 5.38   0.539% *  0.1318% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU- 100 - HA    GLU-  29  17.21 +/- 4.36   0.333% *  0.0834% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU-  29  17.26 +/- 4.58   0.283% *  0.0260% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  19.69 +/- 4.34   0.160% *  0.0400% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  20.40 +/- 4.07   0.127% *  0.0411% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  28.89 +/- 3.55   0.038% *  0.0938% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  28.93 +/- 3.43   0.038% *  0.0593% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.96 +/- 2.48   0.068% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.00 +/- 2.61   0.060% *  0.0288% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.81 +/- 2.28   0.061% *  0.0182% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  22.18 +/- 2.35   0.077% *  0.0103% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.52 +/- 4.68   0.069% *  0.0106% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.88 +/- 4.08   0.067% *  0.0103% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.32 +/- 1.95   0.063% *  0.0106% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.53 +/- 2.29   0.084% *  0.0067% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.05 +/- 3.90   0.057% *  0.0067% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  28.36 +/- 2.87   0.038% *  0.0091% (0.14   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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.705, support = 3.34, residual support = 37.7:
    * O T HA    GLN   32 - QB    GLN   32   2.50 +/- 0.04  48.295% * 46.7473% (0.69  10.0 10.00   3.10  44.41) =  77.723%  kept
        T HA    LYS+  33 - QB    GLN   32   3.97 +/- 0.09  11.989% * 52.0093% (0.76   1.0 10.00   4.34  14.99) =  21.466%  kept
        T HA    GLU-  29 - QB    GLN   32   2.78 +/- 0.44  38.483% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.809%  kept
          HA    VAL   18 - QB    GLN   32  12.98 +/- 1.56   0.415% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  26.89 +/- 2.72   0.049% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  21.86 +/- 8.07   0.198% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.96 +/- 2.48   0.367% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  22.20 +/- 4.32   0.086% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  24.51 +/- 2.48   0.054% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  24.14 +/- 2.55   0.064% *  0.0305% (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 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 = 3.18, residual support = 44.4:
    * O T QG    GLN   32 - QB    GLN   32   2.10 +/- 0.03  97.546% * 99.7611% (1.00  10.0 10.00   3.18  44.41) =  99.999%  kept
          HB2   GLU- 100 - QB    GLN   32  14.22 +/- 4.48   1.758% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QB    GLN   32  16.97 +/- 4.11   0.311% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.33 +/- 2.14   0.102% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  20.05 +/- 2.13   0.124% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  23.60 +/- 3.78   0.099% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  26.00 +/- 2.91   0.061% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.706, support = 3.14, residual support = 38.9:
    * O T HA    GLN   32 - QG    GLN   32   2.20 +/- 0.13  73.257% * 42.0563% (0.69  10.0 10.00   3.10  44.41) =  83.732%  kept
        T HA    LYS+  33 - QG    GLN   32   4.64 +/- 0.46   9.005% * 46.7903% (0.76   1.0 10.00   4.53  14.99) =  11.451%  kept
        T HA    GLU-  29 - QG    GLN   32   4.48 +/- 0.74  16.709% * 10.6052% (0.90   1.0 10.00   0.39   0.02) =   4.816%  kept
          HA    VAL   18 - QG    GLN   32  14.57 +/- 1.46   0.273% *  0.0565% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  25.23 +/- 2.36   0.054% *  0.2745% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  23.26 +/- 8.10   0.183% *  0.0591% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.96 +/- 2.48   0.345% *  0.0274% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  23.28 +/- 4.50   0.086% *  0.0445% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  26.11 +/- 2.43   0.046% *  0.0565% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.31 +/- 3.19   0.043% *  0.0298% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 44.4:
    * O T QB    GLN   32 - QG    GLN   32   2.10 +/- 0.03  92.583% * 99.6746% (1.00  10.0 10.00   3.18  44.41) =  99.994%  kept
          HG3   GLU- 100 - QG    GLN   32  13.92 +/- 4.86   5.866% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   24 - QG    GLN   32  13.27 +/- 0.74   0.380% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.16 +/- 3.93   0.408% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  14.98 +/- 3.14   0.639% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  25.53 +/- 2.83   0.066% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.13 +/- 3.69   0.059% *  0.0197% (0.20   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 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 = 0.987, support = 6.44, residual support = 152.0:
    * O T QB    LYS+  33 - HA    LYS+  33   2.18 +/- 0.04  75.284% * 76.9688% (1.00  10.0 10.00   6.48 154.54) =  98.199%  kept
        T QB    LYS+  33 - HA    GLN   32   5.39 +/- 0.16   5.013% * 19.7942% (0.26   1.0 10.00   4.85  14.99) =   1.682%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.59 +/- 1.37   7.291% *  0.9281% (0.28   1.0 10.00   0.09   0.02) =   0.115%  kept
        T QB    LYS+  81 - HA    LYS+  33  25.46 +/- 4.91   0.064% *  0.7428% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    LYS+  33  18.69 +/- 4.31   0.554% *  0.0711% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   8.06 +/- 0.37   1.521% *  0.0192% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.96 +/- 0.38   0.810% *  0.0316% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  22.27 +/- 5.93   0.123% *  0.2074% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.79 +/- 0.30   4.157% *  0.0054% (0.07   1.0  1.00   0.02  26.47) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  24.15 +/- 5.84   0.090% *  0.1910% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.73 +/- 3.96   0.133% *  0.0728% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.64 +/- 0.23   1.775% *  0.0049% (0.06   1.0  1.00   0.02   1.80) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.71 +/- 3.14   0.116% *  0.0754% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.46 +/- 2.59   0.103% *  0.0728% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.63 +/- 0.85   0.727% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.94 +/- 3.28   0.030% *  0.1919% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.92 +/- 5.25   0.242% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.48 +/- 3.59   0.145% *  0.0211% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.45 +/- 3.34   0.163% *  0.0183% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.90 +/- 4.61   0.145% *  0.0203% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.21 +/- 4.43   0.038% *  0.0743% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.59 +/- 2.60   0.036% *  0.0763% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  19.06 +/- 3.48   0.146% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.69 +/- 3.17   0.136% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  20.13 +/- 3.29   0.122% *  0.0203% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  14.70 +/- 0.72   0.257% *  0.0088% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.51 +/- 3.33   0.040% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.09 +/- 3.42   0.049% *  0.0436% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.97 +/- 3.45   0.038% *  0.0494% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  21.87 +/- 2.67   0.093% *  0.0198% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  26.51 +/- 4.24   0.061% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  26.29 +/- 3.79   0.051% *  0.0213% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  26.88 +/- 3.71   0.048% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.78 +/- 4.43   0.044% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  30.13 +/- 4.05   0.039% *  0.0207% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.75 +/- 2.65   0.048% *  0.0122% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.69 +/- 2.61   0.047% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.84 +/- 2.29   0.035% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.04 +/- 3.83   0.052% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.82 +/- 3.41   0.052% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  27.23 +/- 2.29   0.041% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.61 +/- 2.56   0.041% *  0.0031% (0.04   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 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.958, support = 6.07, residual support = 145.0:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.39 +/- 0.22  46.789% * 67.8996% (1.00  10.0 10.00   6.27 154.54) =  93.291%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.90 +/- 0.83  10.298% * 17.4618% (0.26   1.0 10.00   4.22  14.99) =   5.280%  kept
        T HG3   LYS+  65 - HA    LYS+  33  19.53 +/- 4.56   3.504% * 11.0643% (0.99   1.0 10.00   0.33   0.02) =   1.138%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.46 +/- 1.41  10.259% *  0.8187% (0.28   1.0 10.00   0.09   0.02) =   0.247%  kept
        T HG3   LYS+ 102 - HA    LYS+  33  19.14 +/- 5.44   0.468% *  0.6423% (0.95   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA   12 - HA    LYS+  33  12.52 +/- 3.89   3.487% *  0.0544% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - HA    GLN   32  17.37 +/- 6.67   0.919% *  0.1652% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    GLN   32  20.31 +/- 3.67   0.849% *  0.1731% (0.25   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+  33  21.59 +/- 3.16   0.208% *  0.5437% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HA    GLU-  29  19.48 +/- 3.34   0.495% *  0.1879% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    GLU-  29  19.96 +/- 5.42   0.372% *  0.1793% (0.26   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+  33  13.69 +/- 2.90   0.945% *  0.0655% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+  33  14.56 +/- 1.80   0.710% *  0.0673% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLN   32  19.96 +/- 3.96   0.305% *  0.1398% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  13.99 +/- 4.41   2.654% *  0.0152% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  13.77 +/- 3.43   1.070% *  0.0357% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  21.39 +/- 3.51   0.232% *  0.1518% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  11.73 +/- 2.67   1.442% *  0.0183% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLN   32  14.93 +/- 4.18   1.429% *  0.0140% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  12.50 +/- 4.24   2.055% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  13.58 +/- 2.50   0.903% *  0.0169% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.48 +/- 1.66   0.677% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  14.07 +/- 3.67   1.079% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.63 +/- 1.82   0.543% *  0.0188% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  16.00 +/- 4.06   0.794% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  30.22 +/- 4.34   0.124% *  0.0609% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.14 +/- 1.33   0.391% *  0.0189% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  14.45 +/- 4.89   1.778% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  22.46 +/- 4.30   0.219% *  0.0169% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  21.72 +/- 3.63   0.236% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.34 +/- 1.00   0.545% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  23.81 +/- 6.30   0.257% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  16.01 +/- 4.00   0.910% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.03 +/- 2.13   0.119% *  0.0169% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.38 +/- 0.92   0.367% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  19.23 +/- 4.30   0.402% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  20.37 +/- 6.88   0.541% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  29.49 +/- 3.62   0.096% *  0.0157% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  29.78 +/- 3.57   0.088% *  0.0170% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  20.34 +/- 4.55   0.351% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  22.11 +/- 4.75   0.255% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  22.39 +/- 7.14   0.391% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  24.05 +/- 4.56   0.182% *  0.0047% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  25.06 +/- 1.81   0.130% *  0.0047% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  25.11 +/- 1.94   0.132% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.952, support = 4.87, residual support = 145.3:
    *   T QD    LYS+  33 - HA    LYS+  33   3.65 +/- 0.74  64.829% * 74.9931% (1.00 10.00   5.02 154.54) =  93.550%  kept
        T QD    LYS+  33 - HA    GLN   32   6.53 +/- 1.11  13.679% * 19.2861% (0.26 10.00   3.36  14.99) =   5.076%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.20 +/- 0.83  16.232% *  4.3844% (0.28 10.00   0.42   0.02) =   1.369%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  34.03 +/- 3.94   0.117% *  0.6726% (0.90 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    LYS+  33  18.51 +/- 2.10   0.711% *  0.0425% (0.57  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  22.65 +/- 3.44   0.409% *  0.0651% (0.87  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLN   32  32.80 +/- 3.45   0.131% *  0.1730% (0.23 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  33.23 +/- 3.46   0.119% *  0.1878% (0.25 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  26.91 +/- 4.58   0.261% *  0.0750% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.81 +/- 1.62   0.952% *  0.0119% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.00 +/- 3.44   0.453% *  0.0182% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.62 +/- 1.71   0.663% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.41 +/- 3.03   0.418% *  0.0167% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  28.66 +/- 4.14   0.232% *  0.0209% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.28 +/- 3.76   0.246% *  0.0193% (0.26  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.73 +/- 4.61   0.175% *  0.0148% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.34 +/- 4.57   0.201% *  0.0038% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  30.65 +/- 4.22   0.172% *  0.0041% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.21 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.781, support = 5.27, residual support = 114.5:
    *   T QE    LYS+  33 - HA    LYS+  33   3.75 +/- 0.96  27.324% * 49.8882% (1.00 10.00   5.69 154.54) =  70.367%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.11 +/- 0.24  20.678% * 13.6524% (0.27 10.00   5.77  32.31) =  14.573%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.44 +/- 0.42   8.184% * 17.0173% (0.34 10.00   3.00   5.76) =   7.189%  kept
        T HB2   ASN   35 - HA    GLN   32   4.77 +/- 0.88  17.174% *  4.3764% (0.09 10.00   2.03   3.15) =   3.880%  kept
        T QE    LYS+  33 - HA    GLN   32   6.41 +/- 1.28   5.439% * 12.8298% (0.26 10.00   3.58  14.99) =   3.602%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.31 +/- 1.50   8.706% *  0.6015% (0.28 10.00   0.09   0.02) =   0.270%  kept
        T QE    LYS+  65 - HA    LYS+  33  18.81 +/- 4.04   2.133% *  0.4474% (0.90 10.00   0.02   0.02) =   0.049%
        T HB2   ASN   28 - HA    LYS+  33  10.51 +/- 0.99   1.339% *  0.4890% (0.98 10.00   0.02   0.02) =   0.034%
        T HB2   ASN   28 - HA    GLN   32   8.02 +/- 0.76   2.926% *  0.1258% (0.25 10.00   0.02   0.02) =   0.019%
        T QE    LYS+  65 - HA    GLN   32  19.52 +/- 3.55   0.944% *  0.1151% (0.23 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  65 - HA    GLU-  29  18.40 +/- 3.43   0.655% *  0.1249% (0.25 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   35 - HA    GLU-  29   9.54 +/- 0.73   1.717% *  0.0475% (0.10 10.00   0.02   0.02) =   0.004%
        T HB2   ASP-  76 - HA    LYS+  33  22.36 +/- 2.87   0.141% *  0.1111% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  19.42 +/- 3.04   0.235% *  0.0310% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  23.35 +/- 6.03   0.177% *  0.0343% (0.69  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  21.73 +/- 2.85   0.160% *  0.0286% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  15.99 +/- 4.05   0.542% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  20.23 +/- 6.82   0.351% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  21.11 +/- 7.38   0.362% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  26.01 +/- 2.87   0.088% *  0.0323% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  22.84 +/- 3.34   0.143% *  0.0090% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  25.31 +/- 3.14   0.100% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.73 +/- 3.64   0.298% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.76 +/- 3.06   0.183% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.987, support = 6.42, residual support = 151.4:
    * O T HA    LYS+  33 - QB    LYS+  33   2.18 +/- 0.04  75.315% * 75.4207% (1.00  10.0 10.00   6.48 154.54) =  97.785%  kept
        T HA    GLN   32 - QB    LYS+  33   5.39 +/- 0.16   5.018% * 20.9698% (0.28   1.0 10.00   4.85  14.99) =   1.811%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.59 +/- 1.37   7.323% *  3.1436% (0.97   1.0 10.00   0.09   0.02) =   0.396%  kept
          HA    VAL   70 - QB    LYS+  33  11.24 +/- 3.39   3.334% *  0.0654% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HB2   SER   37 - QB    LYS+  33   6.41 +/- 1.42   7.482% *  0.0168% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QB    LYS+  33  10.54 +/- 2.45   1.127% *  0.0713% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  22.98 +/- 6.49   0.125% *  0.0676% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  22.98 +/- 3.47   0.092% *  0.0654% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.45 +/- 2.73   0.049% *  0.1164% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  24.10 +/- 2.50   0.063% *  0.0397% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  23.16 +/- 2.67   0.071% *  0.0233% (0.31   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 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 = 6.06, residual support = 150.8:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.47 +/- 0.07  78.599% * 82.7092% (1.00  10.0 10.00   6.21 154.54) =  97.550%  kept
        T HG3   LYS+  65 - QB    LYS+  33  16.08 +/- 4.39  10.788% * 15.0006% (0.99   1.0 10.00   0.37   0.02) =   2.428%  kept
        T QB    LEU   98 - QB    LYS+  33  12.06 +/- 2.83   0.952% *  0.4352% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - QB    LYS+  33  17.32 +/- 4.38   0.445% *  0.7824% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QB    LYS+  33  10.49 +/- 3.33   4.621% *  0.0662% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - QB    LYS+  33  18.85 +/- 2.96   0.206% *  0.6623% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  10.86 +/- 2.75   1.324% *  0.0798% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+  33  12.25 +/- 2.13   0.920% *  0.0820% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  13.81 +/- 1.51   0.503% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  26.08 +/- 4.13   0.124% *  0.0742% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  13.97 +/- 3.32   0.664% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  19.69 +/- 4.08   0.225% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  18.53 +/- 3.08   0.234% *  0.0184% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  20.10 +/- 5.50   0.274% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.26 +/- 2.24   0.122% *  0.0206% (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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 154.5:
    * O T QD    LYS+  33 - QB    LYS+  33   2.29 +/- 0.20  98.882% * 97.3258% (1.00  10.0 10.00   5.03 154.54) =  99.994%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.07 +/- 2.14   0.506% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  123 - QB    LYS+  33  23.46 +/- 4.61   0.188% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  29.60 +/- 3.78   0.069% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  19.35 +/- 3.34   0.263% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  27.22 +/- 3.91   0.092% *  0.1926% (0.20   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 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 154.2:
    *   T QE    LYS+  33 - QB    LYS+  33   2.58 +/- 0.50  82.004% * 96.4647% (1.00 10.00   5.75 154.54) =  99.748%  kept
          HB2   ASN   35 - QB    LYS+  33   6.76 +/- 0.37   6.682% *  2.2173% (0.34  1.00   1.35   5.76) =   0.187%  kept
        T QE    LYS+  65 - QB    LYS+  33  15.51 +/- 3.83   5.405% *  0.8651% (0.90 10.00   0.02   0.02) =   0.059%
          HB2   ASN   28 - QB    LYS+  33   8.86 +/- 1.24   3.353% *  0.0946% (0.98  1.00   0.02   0.02) =   0.004%
        T HB2   ASP-  76 - QB    LYS+  33  18.54 +/- 2.79   0.352% *  0.2148% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  20.11 +/- 5.02   0.391% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  13.83 +/- 3.82   1.605% *  0.0149% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.80 +/- 2.74   0.206% *  0.0624% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.956, support = 6.09, residual support = 144.9:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.39 +/- 0.22  41.305% * 72.4788% (1.00  10.0 10.00   6.27 154.54) =  93.163%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.90 +/- 0.83   9.301% * 20.1518% (0.28   1.0 10.00   4.22  14.99) =   5.833%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.46 +/- 1.41   9.345% *  3.0209% (0.97   1.0 10.00   0.09   0.02) =   0.879%  kept
        T HA    LYS+  33 - HG3   LYS+  65  19.53 +/- 4.56   3.135% *  0.6259% (0.86   1.0 10.00   0.02   0.02) =   0.061%
        T HA    GLU-  29 - HG3   LYS+  65  19.48 +/- 3.34   0.442% *  0.6040% (0.83   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   18 - HG3   LYS+  65   9.53 +/- 3.35   3.964% *  0.0592% (0.82   1.0  1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HG3   LYS+  33   6.76 +/- 2.29  12.158% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  33 - HG3   LYS+ 102  19.14 +/- 5.44   0.411% *  0.3600% (0.50   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   70 - HG3   LYS+  33  11.56 +/- 2.80   2.119% *  0.0629% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - HG3   LYS+  65  20.31 +/- 3.67   0.758% *  0.1740% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HG3   LYS+  33  10.59 +/- 2.27   1.799% *  0.0686% (0.95   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 102  19.96 +/- 5.42   0.329% *  0.3475% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 106  21.39 +/- 3.51   0.205% *  0.4445% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  21.59 +/- 3.16   0.182% *  0.4606% (0.64   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+ 102  17.37 +/- 6.67   0.803% *  0.1001% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   48 - HG3   LYS+  65  14.80 +/- 5.39   2.369% *  0.0329% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HG3   LYS+  65  11.92 +/- 0.97   1.005% *  0.0543% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HG3   LYS+ 106  19.61 +/- 3.35   0.746% *  0.0711% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HG3   LYS+  65  14.61 +/- 2.07   0.752% *  0.0543% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 106  19.96 +/- 3.96   0.264% *  0.1281% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  14.01 +/- 1.94   0.685% *  0.0400% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  15.85 +/- 3.15   0.520% *  0.0400% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  13.64 +/- 3.91   1.212% *  0.0142% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  25.30 +/- 7.25   0.222% *  0.0650% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  21.77 +/- 4.24   0.233% *  0.0561% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  18.54 +/- 2.77   0.298% *  0.0436% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  16.39 +/- 4.01   1.096% *  0.0097% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  20.32 +/- 2.66   0.431% *  0.0242% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.11 +/- 3.24   0.740% *  0.0139% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  18.54 +/- 3.91   0.330% *  0.0312% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.55 +/- 3.87   0.242% *  0.0413% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  24.74 +/- 2.84   0.129% *  0.0629% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.32 +/- 3.47   0.232% *  0.0341% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.44 +/- 6.31   0.182% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  21.46 +/- 4.54   0.271% *  0.0193% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.94 +/- 2.25   0.148% *  0.0312% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  18.06 +/- 5.41   0.525% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.04 +/- 2.90   0.105% *  0.0381% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.99 +/- 5.11   0.318% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.62 +/- 3.61   0.268% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.33 +/- 3.22   0.120% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.94 +/- 3.90   0.115% *  0.0189% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.57 +/- 2.93   0.090% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.95 +/- 3.51   0.097% *  0.0056% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.842, support = 6.01, residual support = 143.5:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.47 +/- 0.07  36.062% * 48.5505% (1.00  10.0 10.00   6.21 154.54) =  59.603%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.42 +/- 0.11  38.108% * 29.1842% (0.60  10.0 10.00   5.94 134.86) =  37.861%  kept
        T QB    LYS+  33 - HG3   LYS+  65  16.08 +/- 4.39   5.075% *  7.6718% (0.86   1.0 10.00   0.37   0.02) =   1.325%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.74 +/- 0.48   3.065% *  6.9346% (0.62   1.0  1.00   4.59  23.52) =   0.724%  kept
          HB    ILE  103 - HG3   LYS+ 102   6.06 +/- 0.68   2.754% *  4.9655% (0.47   1.0  1.00   4.35  23.36) =   0.466%  kept
          HB    ILE  103 - HG3   LYS+ 106   5.49 +/- 0.95   4.330% *  0.0292% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.20 +/- 1.05   0.426% *  0.2281% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 106 - HG3   LYS+  65  16.77 +/- 2.88   0.184% *  0.3966% (0.82   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HG3   LYS+ 102  17.32 +/- 4.38   0.207% *  0.2412% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  19.31 +/- 2.53   0.086% *  0.4593% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  33   5.89 +/- 0.86   3.101% *  0.0121% (0.25   1.0  1.00   0.02   0.28) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  18.85 +/- 2.96   0.096% *  0.3085% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  65  10.94 +/- 1.45   0.499% *  0.0387% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+  65  15.98 +/- 3.52   0.285% *  0.0405% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.50 +/- 1.07   0.518% *  0.0200% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  20.55 +/- 5.39   0.204% *  0.0416% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.12 +/- 3.21   0.186% *  0.0448% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  14.59 +/- 3.16   0.257% *  0.0306% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.18 +/- 0.88   0.318% *  0.0236% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  13.06 +/- 1.73   0.285% *  0.0237% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.79 +/- 2.67   0.161% *  0.0411% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  18.08 +/- 4.12   0.148% *  0.0405% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  19.01 +/- 3.82   0.111% *  0.0459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.47 +/- 3.14   0.104% *  0.0476% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.14 +/- 3.61   0.136% *  0.0298% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  16.65 +/- 3.41   0.176% *  0.0175% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  16.23 +/- 6.48   0.303% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.78 +/- 3.72   0.283% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  21.01 +/- 2.50   0.072% *  0.0397% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  22.98 +/- 5.37   0.117% *  0.0233% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  23.78 +/- 4.89   0.058% *  0.0469% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.84 +/- 3.31   0.093% *  0.0285% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  14.90 +/- 2.72   0.253% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.65 +/- 3.51   0.088% *  0.0298% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  17.90 +/- 4.57   0.322% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  23.49 +/- 4.53   0.085% *  0.0223% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.90 +/- 3.48   0.156% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.84 +/- 4.31   0.034% *  0.0469% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  26.91 +/- 2.99   0.031% *  0.0481% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  22.43 +/- 3.66   0.060% *  0.0239% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.17 +/- 2.41   0.069% *  0.0172% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.90 +/- 3.07   0.042% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  19.22 +/- 3.43   0.089% *  0.0127% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.66 +/- 3.18   0.133% *  0.0077% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.35 +/- 3.60   0.116% *  0.0077% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.33 +/- 4.24   0.145% *  0.0060% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.36 +/- 3.47   0.109% *  0.0077% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.58 +/- 1.87   0.172% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.85 +/- 3.80   0.049% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.49 +/- 3.76   0.024% *  0.0233% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.87 +/- 3.36   0.038% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.64 +/- 5.48   0.058% *  0.0060% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.74 +/- 3.24   0.028% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.94 +/- 2.64   0.030% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.17 +/- 3.33   0.025% *  0.0060% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.82 +/- 2.01   0.038% *  0.0037% (0.08   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 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 = 0.999, support = 4.51, residual support = 153.6:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.37 +/- 0.16  80.388% * 83.0340% (1.00  10.0 10.00   4.54 154.54) =  99.384%  kept
        T QD    LYS+  33 - HG3   LYS+  65  15.17 +/- 3.99   3.045% * 13.1404% (0.86   1.0 10.00   0.37   0.02) =   0.596%  kept
          HD2   LYS+  74 - HG3   LYS+  65   8.30 +/- 2.92  10.760% *  0.0406% (0.49   1.0  1.00   0.02   0.02) =   0.007%
        T HD3   LYS+ 111 - HG3   LYS+ 106  16.26 +/- 3.60   0.729% *  0.4732% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HG3   LYS+ 102  18.61 +/- 4.28   0.264% *  0.4125% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+  65  10.68 +/- 2.45   1.498% *  0.0622% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 106  19.52 +/- 2.69   0.175% *  0.5276% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.02 +/- 3.16   0.118% *  0.6431% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+ 102  26.22 +/- 4.22   0.094% *  0.3699% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  32.33 +/- 3.62   0.038% *  0.7447% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  17.83 +/- 3.95   0.322% *  0.0717% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  15.81 +/- 2.35   0.409% *  0.0470% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.13 +/- 2.76   0.364% *  0.0458% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.64 +/- 3.48   0.173% *  0.0720% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  19.28 +/- 4.03   0.202% *  0.0528% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.72 +/- 2.72   0.273% *  0.0299% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  25.35 +/- 4.20   0.095% *  0.0830% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.39 +/- 3.42   0.459% *  0.0142% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  25.14 +/- 6.02   0.102% *  0.0412% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.87 +/- 3.09   0.111% *  0.0358% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.73 +/- 2.56   0.123% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.26 +/- 3.40   0.151% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  29.36 +/- 4.45   0.063% *  0.0164% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.05 +/- 3.88   0.045% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.902, support = 4.87, residual support = 155.2:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.68 +/- 0.59  40.713% * 54.6859% (1.00  10.0 10.00   5.37 154.54) =  56.734%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.63 +/- 0.45  39.958% * 42.3520% (0.77  10.0 10.00   4.23 156.54) =  43.124%  kept
        T QE    LYS+  33 - HG3   LYS+  65  15.72 +/- 4.39  10.182% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.123%  kept
        T QE    LYS+  65 - HG3   LYS+  33  16.64 +/- 3.61   0.549% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   ASP-  76 - HG3   LYS+  65  12.36 +/- 3.49   1.229% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+ 106  18.29 +/- 2.29   0.183% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  18.34 +/- 4.63   0.209% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.78 +/- 1.28   0.835% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.62 +/- 2.99   0.156% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.54 +/- 2.97   0.109% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.53 +/- 0.47   1.732% *  0.0187% (0.34   1.0  1.00   0.02   5.76) =   0.001%
          HB2   ASP-  78 - HG3   LYS+  65  14.96 +/- 3.91   0.645% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  19.94 +/- 3.32   0.105% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.12 +/- 2.53   0.151% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  19.45 +/- 2.99   0.194% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  15.05 +/- 4.14   0.313% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  19.85 +/- 4.00   0.187% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  23.46 +/- 4.20   0.092% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.98 +/- 5.52   0.169% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  17.07 +/- 7.32   0.456% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.57 +/- 3.79   0.113% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  19.06 +/- 6.40   0.201% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.96 +/- 5.75   0.096% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  14.65 +/- 3.04   0.349% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.71 +/- 1.41   0.359% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.62 +/- 2.65   0.111% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.58 +/- 3.19   0.061% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  21.79 +/- 3.42   0.104% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.42 +/- 4.69   0.082% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.80 +/- 4.01   0.098% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  18.99 +/- 3.54   0.126% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  21.21 +/- 4.78   0.135% *  0.0042% (0.08   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.959, support = 4.72, residual support = 140.0:
    *   T HA    LYS+  33 - QD    LYS+  33   3.65 +/- 0.74  46.291% * 66.2555% (1.00 10.00   5.02 154.54) =  90.073%  kept
        T HA    GLN   32 - QD    LYS+  33   6.53 +/- 1.11   9.943% * 18.4215% (0.28 10.00   3.36  14.99) =   5.379%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.20 +/- 0.83  11.486% * 13.3896% (0.97 10.00   0.42   0.02) =   4.516%  kept
          HA    VAL   18 - QD    LYS+  33   9.18 +/- 2.36   5.640% *  0.0627% (0.95  1.00   0.02   0.02) =   0.010%
          HB2   SER   37 - QD    LYS+  33   6.82 +/- 2.19  17.791% *  0.0148% (0.22  1.00   0.02   0.02) =   0.008%
          HA    VAL   70 - QD    LYS+  33  10.96 +/- 2.34   2.470% *  0.0575% (0.87  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - HD3   LYS+ 111  12.63 +/- 1.21   1.350% *  0.0515% (0.78  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  34.03 +/- 3.94   0.085% *  0.5937% (0.90 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HD3   LYS+ 111  33.23 +/- 3.46   0.085% *  0.5730% (0.86 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  23.23 +/- 6.35   0.431% *  0.0594% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HD3   LYS+ 111  25.58 +/- 5.47   0.334% *  0.0532% (0.80  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HD3   LYS+ 111  19.13 +/- 3.76   0.965% *  0.0183% (0.28  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  32.80 +/- 3.45   0.094% *  0.1651% (0.25 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  22.70 +/- 2.75   0.265% *  0.0575% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.96 +/- 4.72   1.283% *  0.0092% (0.14  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  25.58 +/- 3.24   0.216% *  0.0515% (0.78  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  21.10 +/- 2.89   0.348% *  0.0312% (0.47  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.51 +/- 2.90   0.243% *  0.0349% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  27.15 +/- 3.10   0.139% *  0.0562% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  23.62 +/- 2.79   0.235% *  0.0204% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.92 +/- 2.82   0.180% *  0.0102% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.64 +/- 4.59   0.125% *  0.0132% (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 = 0.999, support = 5.02, residual support = 154.3:
    * O T QB    LYS+  33 - QD    LYS+  33   2.29 +/- 0.20  83.314% * 92.8868% (1.00  10.0 10.00   5.03 154.54) =  99.856%  kept
          HB3   GLN   30 - QD    LYS+  33   5.89 +/- 0.83   7.023% *  1.4017% (0.25   1.0  1.00   1.21   0.28) =   0.127%  kept
        T HG3   PRO   68 - QD    LYS+  33  15.42 +/- 3.06   0.451% *  0.8575% (0.92   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.60 +/- 4.23   0.316% *  0.8033% (0.86   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD3   LYS+ 111  13.16 +/- 2.83   1.156% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   LYS+ 111  20.79 +/- 5.22   1.001% *  0.0803% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  26.03 +/- 3.82   0.083% *  0.8964% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   68 - HD3   LYS+ 111  26.35 +/- 3.95   0.071% *  0.7684% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  29.60 +/- 3.78   0.058% *  0.8324% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   LYS+ 111  16.95 +/- 4.02   0.563% *  0.0816% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.56 +/- 0.86   1.065% *  0.0382% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HD3   LYS+ 111  19.60 +/- 1.54   0.153% *  0.2076% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.61 +/- 3.58   0.134% *  0.2316% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  14.46 +/- 3.26   0.562% *  0.0471% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  16.98 +/- 3.14   0.309% *  0.0825% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  13.55 +/- 5.50   1.196% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.62 +/- 2.70   0.238% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.84 +/- 3.93   0.255% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.48 +/- 3.26   0.227% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.34 +/- 2.24   0.188% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  13.62 +/- 4.50   1.075% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  21.66 +/- 4.40   0.133% *  0.0896% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.87 +/- 2.72   0.072% *  0.0921% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.70 +/- 2.88   0.113% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.06 +/- 3.05   0.070% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  32.10 +/- 3.47   0.039% *  0.0342% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.72 +/- 2.37   0.083% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  29.02 +/- 2.96   0.051% *  0.0208% (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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 153.7:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.37 +/- 0.16  76.894% * 79.1518% (1.00  10.0 10.00   4.54 154.54) =  99.360%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   8.07 +/- 0.86   2.331% * 15.1107% (0.80   1.0  1.00   4.75  28.73) =   0.575%  kept
        T HG3   LYS+  65 - QD    LYS+  33  15.17 +/- 3.99   2.902% *  0.7845% (0.99   1.0 10.00   0.02   0.02) =   0.037%
          QB    ALA   12 - QD    LYS+  33   9.62 +/- 3.48   7.702% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - HD3   LYS+ 111  16.26 +/- 3.60   0.695% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - QD    LYS+  33  18.61 +/- 4.28   0.254% *  0.7487% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QD    LYS+  33  10.12 +/- 3.44   2.179% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QD    LYS+  33  19.52 +/- 2.69   0.168% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.02 +/- 3.16   0.113% *  0.7030% (0.89   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  26.22 +/- 4.22   0.090% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.23 +/- 1.68   0.677% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  19.23 +/- 3.03   0.202% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  12.77 +/- 3.07   0.768% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  32.33 +/- 3.62   0.036% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.96 +/- 3.72   1.345% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.75 +/- 2.20   0.653% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.47 +/- 3.67   0.659% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.19 +/- 2.62   0.136% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  25.85 +/- 3.38   0.085% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  25.04 +/- 3.97   0.087% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  14.77 +/- 3.50   0.485% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  20.48 +/- 2.87   0.147% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.87 +/- 4.72   0.366% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  18.59 +/- 3.26   0.217% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  19.80 +/- 3.80   0.191% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  19.93 +/- 5.67   0.271% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.83 +/- 4.60   0.040% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.11 +/- 2.18   0.109% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  25.07 +/- 3.25   0.081% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.25 +/- 3.18   0.120% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 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 = 4.36, residual support = 154.5:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  90.955% * 96.5704% (1.00  10.0 10.00   4.36 154.54) =  99.955%  kept
        T QE    LYS+  65 - QD    LYS+  33  14.60 +/- 3.66   3.998% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.039%
        T QE    LYS+  65 - HD3   LYS+ 111  21.02 +/- 3.23   0.139% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - QD    LYS+  33   9.27 +/- 0.65   1.113% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   7.84 +/- 0.92   2.105% *  0.0329% (0.34   1.0  1.00   0.02   5.76) =   0.001%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.11 +/- 4.27   0.259% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  17.96 +/- 3.33   0.184% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  30.00 +/- 3.60   0.041% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.44 +/- 4.95   0.265% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  20.54 +/- 4.95   0.144% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.57 +/- 4.15   0.122% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  13.50 +/- 2.50   0.453% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.19 +/- 3.16   0.105% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.89 +/- 3.70   0.032% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  27.57 +/- 3.79   0.058% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  33.97 +/- 3.42   0.025% *  0.0295% (0.31   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 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.957, support = 5.48, residual support = 144.2:
    *   T HA    LYS+  33 - QE    LYS+  33   3.75 +/- 0.96  30.224% * 74.0287% (1.00 10.00   5.69 154.54) =  92.735%  kept
        T HA    GLN   32 - QE    LYS+  33   6.41 +/- 1.28   6.588% * 20.5827% (0.28 10.00   3.58  14.99) =   5.620%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.31 +/- 1.50  11.297% *  3.0855% (0.97 10.00   0.09   0.02) =   1.445%  kept
          HA    VAL   18 - QE    LYS+  65   9.76 +/- 2.70   2.926% *  0.6481% (0.49  1.00   0.36   0.02) =   0.079%
        T HA    LYS+  33 - QE    LYS+  65  18.81 +/- 4.04   3.563% *  0.3806% (0.51 10.00   0.02   0.02) =   0.056%
        T HA    GLU-  29 - QE    LYS+  65  18.40 +/- 3.43   1.075% *  0.3673% (0.50 10.00   0.02   0.02) =   0.016%
          HB2   SER   37 - QE    LYS+  33   6.93 +/- 2.44  14.095% *  0.0165% (0.22  1.00   0.02   0.02) =   0.010%
          HA    VAL   18 - QE    LYS+  33   9.98 +/- 2.67   2.835% *  0.0700% (0.95  1.00   0.02   0.02) =   0.008%
        T HA    GLN   32 - QE    LYS+  65  19.52 +/- 3.55   1.569% *  0.1058% (0.14 10.00   0.02   0.02) =   0.007%
          HA    SER   48 - QE    LYS+  65  13.03 +/- 5.26   6.589% *  0.0200% (0.27  1.00   0.02   0.02) =   0.005%
          HA    VAL   70 - QE    LYS+  33  11.37 +/- 2.56   1.732% *  0.0642% (0.87  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - QE    LYS+  65  13.85 +/- 2.57   3.105% *  0.0330% (0.45  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - QE    LYS+  65  12.56 +/- 0.85   1.001% *  0.0330% (0.45  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   ASP-  76  19.42 +/- 3.04   0.301% *  0.1066% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  22.36 +/- 2.87   0.186% *  0.1104% (0.15 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  10.90 +/- 4.28   3.316% *  0.0058% (0.08  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  23.54 +/- 6.40   0.268% *  0.0664% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  65  19.66 +/- 4.35   0.515% *  0.0341% (0.46  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  23.08 +/- 3.06   0.239% *  0.0642% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  11.90 +/- 1.04   1.294% *  0.0099% (0.13  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  14.54 +/- 3.97   2.034% *  0.0059% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  14.04 +/- 4.00   0.877% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  17.74 +/- 2.82   0.740% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  21.73 +/- 2.85   0.203% *  0.0307% (0.04 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.04 +/- 3.21   0.158% *  0.0389% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  19.93 +/- 4.40   0.512% *  0.0117% (0.16  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  18.95 +/- 4.36   0.612% *  0.0096% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.86 +/- 2.82   0.161% *  0.0228% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  17.95 +/- 0.71   0.319% *  0.0096% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  15.03 +/- 1.67   0.645% *  0.0034% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.47 +/- 3.03   0.142% *  0.0114% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  15.05 +/- 3.68   0.700% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  22.70 +/- 2.34   0.178% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.08 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 154.4:
    *   T QB    LYS+  33 - QE    LYS+  33   2.58 +/- 0.50  66.065% * 97.7335% (1.00 10.00   5.75 154.54) =  99.927%  kept
        T QB    LYS+  33 - QE    LYS+  65  15.51 +/- 3.83   4.371% *  0.5024% (0.51 10.00   0.02   0.02) =   0.034%
          HB3   GLN   30 - QE    LYS+  33   6.28 +/- 1.35   7.601% *  0.2453% (0.25  1.00   0.20   0.28) =   0.029%
          HB3   LYS+  38 - QE    LYS+  33  10.50 +/- 1.40   1.686% *  0.0402% (0.41  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  33  15.73 +/- 3.38   0.560% *  0.0902% (0.92  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  65  11.39 +/- 1.67   1.088% *  0.0464% (0.47  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QE    LYS+  65  13.96 +/- 3.44   0.973% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  18.54 +/- 2.79   0.284% *  0.1458% (0.15 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.96 +/- 1.21   2.769% *  0.0141% (0.14  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+  65  12.02 +/- 2.20   1.143% *  0.0284% (0.29  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QE    LYS+  33  18.68 +/- 3.02   0.325% *  0.0958% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  16.05 +/- 4.17   0.612% *  0.0485% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.35 +/- 3.63   0.310% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  18.38 +/- 2.70   0.275% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  18.84 +/- 5.28   0.457% *  0.0498% (0.51  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  22.02 +/- 4.51   0.195% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.26 +/- 2.66   0.376% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  15.90 +/- 4.27   1.253% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  14.36 +/- 3.32   1.067% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.56 +/- 2.51   0.288% *  0.0492% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  25.18 +/- 2.95   0.112% *  0.0969% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  14.46 +/- 2.67   0.775% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  20.41 +/- 2.44   0.175% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.17 +/- 3.31   0.141% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  16.04 +/- 3.35   0.617% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  26.63 +/- 4.03   0.081% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.93 +/- 4.12   0.895% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  17.67 +/- 3.55   0.459% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  15.96 +/- 1.65   0.406% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  16.53 +/- 4.30   0.533% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  19.92 +/- 3.22   0.288% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.70 +/- 2.32   0.169% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.98 +/- 3.56   0.135% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  19.81 +/- 2.52   0.219% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  20.08 +/- 3.46   0.226% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.40 +/- 3.94   1.335% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.28 +/- 4.07   0.650% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  15.06 +/- 3.20   0.637% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.60 +/- 3.27   0.073% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.08 +/- 2.76   0.094% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  23.97 +/- 4.75   0.194% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  25.30 +/- 1.70   0.086% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 0.836, support = 4.98, residual support = 154.9:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.68 +/- 0.59  30.047% * 63.8684% (1.00  10.0 10.00   5.37 154.54) =  66.447%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.63 +/- 0.45  29.600% * 32.5421% (0.51  10.0 10.00   4.23 156.54) =  33.352%  kept
        T HG3   LYS+  65 - QE    LYS+  33  15.72 +/- 4.39   7.749% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.170%  kept
          QB    ALA   12 - QE    LYS+  33   9.93 +/- 3.74   3.983% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QE    LYS+  65  16.64 +/- 3.61   0.415% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 102 - QE    LYS+  33  18.34 +/- 4.63   0.158% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HB2   ASP-  76  12.36 +/- 3.49   0.923% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QE    LYS+  33  10.66 +/- 3.50   0.698% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  33  19.54 +/- 2.97   0.081% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  23.62 +/- 2.99   0.118% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QE    LYS+  65  13.07 +/- 4.02   4.414% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  65  18.29 +/- 2.29   0.135% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.48 +/- 2.02   0.331% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HB2   ASP-  76  13.28 +/- 3.35   7.718% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  65  10.56 +/- 1.81   0.569% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QE    LYS+  65   8.46 +/- 2.36   1.973% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QE    LYS+  33  12.65 +/- 3.43   0.472% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  65  12.18 +/- 1.43   0.343% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.12 +/- 2.53   0.103% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  15.70 +/- 2.76   0.252% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.94 +/- 3.32   0.078% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  15.56 +/- 3.43   0.259% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.01 +/- 1.58   0.672% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  23.46 +/- 4.20   0.066% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.38 +/- 2.39   0.302% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  13.70 +/- 3.66   0.630% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.01 +/- 4.55   0.529% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  14.72 +/- 3.89   0.382% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.70 +/- 1.33   1.336% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.89 +/- 0.79   2.225% *  0.0015% (0.02   1.0  1.00   0.02   1.20) =   0.000%
          QB    LEU   98 - QE    LYS+  65  15.76 +/- 2.00   0.185% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  15.25 +/- 4.46   0.531% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.87 +/- 0.93   1.178% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  26.25 +/- 3.85   0.043% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  16.39 +/- 2.23   0.225% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  19.99 +/- 4.04   0.106% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.95 +/- 1.16   0.161% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  18.89 +/- 3.42   0.103% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  15.35 +/- 2.47   0.258% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  20.31 +/- 5.78   0.109% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.49 +/- 2.48   0.054% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  17.26 +/- 2.39   0.150% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.47 +/- 3.12   0.083% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  16.73 +/- 2.63   0.167% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  21.98 +/- 3.97   0.086% *  0.0024% (0.04   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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 154.5:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  75.691% * 97.4730% (1.00  10.0 10.00   4.36 154.54) =  99.969%  kept
        T QD    LYS+  33 - QE    LYS+  65  14.60 +/- 3.66   3.362% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.023%
          HD2   LYS+  74 - QE    LYS+  65   7.87 +/- 2.69   8.560% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   57 - QE    LYS+  65   9.45 +/- 2.50   1.576% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   ASP-  76   7.07 +/- 2.03   6.808% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  21.02 +/- 3.23   0.116% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  30.00 +/- 3.60   0.035% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.11 +/- 4.27   0.218% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  16.90 +/- 4.26   0.561% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.96 +/- 3.33   0.153% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.61 +/- 2.78   0.392% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.99 +/- 5.15   1.221% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.21 +/- 3.35   0.181% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.35 +/- 3.89   0.073% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.28 +/- 3.35   0.663% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  25.16 +/- 4.64   0.115% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  27.06 +/- 4.01   0.051% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  18.11 +/- 3.71   0.222% *  0.0029% (0.03   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 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 = 0.801, support = 1.93, residual support = 25.1:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  70.103% * 97.6859% (0.80  10.0 10.00   1.93  25.26) =  99.353%  kept
          QG2   THR   39 - HA    ALA   34   4.46 +/- 1.41  25.874% *  1.7154% (0.25   1.0  1.00   1.13   6.43) =   0.644%  kept
          HG3   LYS+  38 - HA    ALA   34   7.52 +/- 0.77   1.997% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   34 - HA    ALA  124  18.95 +/- 4.29   0.154% *  0.2243% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  14.43 +/- 1.24   0.234% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.68 +/- 2.64   0.102% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  15.36 +/- 3.00   0.358% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.04 +/- 1.43   0.124% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  17.05 +/- 5.68   0.357% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  22.53 +/- 6.40   0.154% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.19 +/- 1.92   0.066% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  25.67 +/- 4.92   0.079% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  21.41 +/- 3.58   0.258% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  22.85 +/- 4.10   0.142% *  0.0070% (0.06   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 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.3:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  87.720% * 98.8230% (0.80  10.0 10.00   1.93  25.26) =  99.989%  kept
          HA1   GLY  101 - QB    ALA   34   9.59 +/- 4.52   4.802% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASN   28 - QB    ALA   34   6.92 +/- 0.39   2.647% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ALA  124 - QB    ALA   34  18.95 +/- 4.29   0.226% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   34   6.61 +/- 0.18   2.975% *  0.0170% (0.14   1.0  1.00   0.02   0.29) =   0.001%
          HA    THR   26 - QB    ALA   34   9.56 +/- 0.72   1.032% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.60 +/- 1.59   0.169% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.34 +/- 3.41   0.167% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.41 +/- 2.02   0.111% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  19.62 +/- 3.64   0.151% *  0.0245% (0.20   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 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 = 4.02, residual support = 54.6:
    * O T HB2   ASN   35 - HA    ASN   35   2.60 +/- 0.11  78.861% * 98.4270% (1.00  10.0 10.00   4.02  54.57) =  99.982%  kept
        T HB2   ASN   35 - HA    LEU   40  10.33 +/- 1.18   1.399% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   ASN   28 - HA    ASN   35  13.04 +/- 0.86   0.690% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   35 - HA    GLU-  15  13.99 +/- 2.83   0.842% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HA    ASN   35   7.69 +/- 1.14   4.196% *  0.0336% (0.34   1.0  1.00   0.02   5.76) =   0.002%
        T HB2   ASN   28 - HA    LEU   40  15.37 +/- 1.83   0.479% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    GLU-  15  15.60 +/- 3.23   0.819% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    GLU-  15   8.05 +/- 2.94   6.718% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    LEU   40  10.32 +/- 1.72   1.655% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.11 +/- 2.63   0.278% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  23.20 +/- 5.97   0.181% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  13.88 +/- 2.77   0.986% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  19.75 +/- 4.04   0.268% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.11 +/- 1.22   0.365% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.94 +/- 2.96   0.674% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  22.20 +/- 3.07   0.195% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.75 +/- 3.27   0.252% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.82 +/- 2.90   0.654% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  24.86 +/- 3.58   0.107% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  19.04 +/- 2.00   0.239% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.59 +/- 3.02   0.142% *  0.0025% (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 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 = 5.56, residual support = 86.3:
    * O T QB    GLU-  36 - HA    GLU-  36   2.42 +/- 0.17  96.605% * 98.9106% (1.00  10.0 10.00   5.56  86.35) =  99.992%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.28 +/- 1.31   0.842% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU- 100 - HA    GLU-  36  13.38 +/- 6.98   1.895% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.43 +/- 1.41   0.524% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  26.62 +/- 3.59   0.087% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  31.94 +/- 2.09   0.047% *  0.0679% (0.69   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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HG2   GLU-  36 - HA    GLU-  36   3.04 +/- 0.78  98.862% * 99.8378% (1.00  10.0 10.00   3.62  86.35) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  21.08 +/- 3.19   0.526% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.50 +/- 2.99   0.302% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  26.58 +/- 6.04   0.310% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 86.3:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.16 +/- 0.62  94.043% * 99.2256% (1.00  10.0 10.00   3.62  86.35) =  99.980%  kept
        T QB    MET   11 - HA    GLU-  36  15.60 +/- 4.29   4.798% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.019%
          HB2   GLU-  79 - HA    GLU-  36  26.83 +/- 3.62   0.224% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.19 +/- 1.53   0.475% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.08 +/- 2.82   0.198% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  31.66 +/- 3.31   0.117% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.28 +/- 3.31   0.145% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG2   GLU-  36   3.04 +/- 0.78  98.110% * 99.7630% (1.00  10.0 10.00   3.62  86.35) =  99.999%  kept
          HA    ALA  124 - HG2   GLU-  36  26.52 +/- 7.05   0.680% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  21.04 +/- 4.80   0.836% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  30.30 +/- 4.60   0.186% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.82 +/- 4.68   0.188% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.3:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.36 +/- 0.15  96.338% * 98.9106% (1.00  10.0 10.00   4.28  86.35) =  99.988%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.92 +/- 2.14   1.302% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.012%
          HG3   GLU-  29 - HG2   GLU-  36  13.14 +/- 2.14   0.698% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  14.68 +/- 6.57   1.531% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  26.17 +/- 3.97   0.091% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  32.22 +/- 2.21   0.041% *  0.0679% (0.69   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 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 = 86.3:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.118% * 99.2256% (1.00  10.0 10.00   3.00  86.35) =  99.997%  kept
        T QB    MET   11 - HG2   GLU-  36  14.44 +/- 3.79   0.689% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HG2   GLU-  36  19.09 +/- 2.48   0.092% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  26.39 +/- 4.03   0.035% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.66 +/- 3.02   0.030% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  31.91 +/- 3.12   0.019% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.42 +/- 3.44   0.017% *  0.0642% (0.65   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 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.16 +/- 0.62  91.795% * 99.6097% (1.00  10.0 10.00   3.62  86.35) =  99.993%  kept
        T HA    GLU-  36 - QB    MET   11  15.60 +/- 4.29   4.684% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.006%
          HA    ALA  124 - HG3   GLU-  36  26.22 +/- 7.33   0.440% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  20.65 +/- 5.01   1.075% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  30.23 +/- 4.45   0.161% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.60 +/- 4.56   0.188% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  29.61 +/- 5.36   0.227% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.59 +/- 3.24   0.976% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  29.75 +/- 5.32   0.211% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.95 +/- 5.77   0.243% *  0.0065% (0.07   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 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.3:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.36 +/- 0.16  90.470% * 99.4418% (1.00  10.0  1.00   4.28  86.35) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.08 +/- 2.25   1.266% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  13.33 +/- 2.31   0.683% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  13.01 +/- 3.92   2.233% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  24.32 +/- 5.19   0.177% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  14.97 +/- 6.82   0.965% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  15.92 +/- 5.71   2.515% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  15.18 +/- 4.87   1.268% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  26.06 +/- 3.92   0.083% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  32.98 +/- 5.30   0.050% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  32.13 +/- 1.91   0.038% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  22.11 +/- 6.12   0.251% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.018% * 99.6937% (1.00  10.0 10.00   3.00  86.35) =  99.999%  kept
        T HG2   GLU-  36 - QB    MET   11  14.44 +/- 3.79   0.689% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG3   GLU-  36  21.72 +/- 3.37   0.064% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  24.13 +/- 4.25   0.057% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  26.89 +/- 5.97   0.040% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  25.90 +/- 4.04   0.045% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.42 +/- 3.44   0.052% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  28.49 +/- 5.36   0.036% *  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 = 2.57, residual support = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.88 +/- 0.18  76.333% * 98.0025% (1.00  10.0 10.00   2.58  29.75) =  99.968%  kept
        T HB2   SER   37 - HA    SER   13  12.97 +/- 4.16   2.709% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.019%
          HA1   GLY   16 - HA    SER   37  11.43 +/- 2.95   3.168% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HA    SER   37  11.39 +/- 2.57   3.400% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   37 - HA    THR   46  23.50 +/- 1.56   0.147% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   37   7.37 +/- 1.13   5.640% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13  10.54 +/- 1.07   1.732% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  13.51 +/- 2.91   1.201% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HA    SER   13  13.44 +/- 3.55   3.377% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   13  15.26 +/- 3.06   1.267% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.02 +/- 1.95   0.458% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  21.67 +/- 3.71   0.225% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  25.81 +/- 3.59   0.136% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.89 +/- 1.73   0.124% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  29.60 +/- 3.40   0.082% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 0.665, support = 2.35, residual support = 21.5:
    * O T HB3   SER   37 - HA    SER   37   2.66 +/- 0.27  38.869% * 66.6020% (0.84  10.0 10.00   2.58  29.75) =  65.004%  kept
      O T QB    SER   13 - HA    SER   13   2.42 +/- 0.15  49.853% * 27.5634% (0.35  10.0 10.00   1.93   6.15) =  34.504%  kept
          HB    THR   39 - HA    SER   37   5.62 +/- 0.90   5.520% *  3.2706% (0.69   1.0  1.00   1.19   4.23) =   0.453%  kept
        T QB    SER   13 - HA    SER   37  12.44 +/- 3.83   1.759% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.023%
        T HB3   SER   37 - HA    SER   13  12.26 +/- 3.89   1.213% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.011%
          HA    ILE   89 - HA    THR   46   9.97 +/- 1.34   0.836% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  13.54 +/- 2.40   0.609% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.24 +/- 1.68   0.054% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  24.06 +/- 2.55   0.060% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  13.79 +/- 4.52   0.726% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    SER   37  23.34 +/- 3.26   0.075% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.34 +/- 1.65   0.188% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.68 +/- 1.54   0.074% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.06 +/- 1.91   0.039% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.58 +/- 3.52   0.036% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.66 +/- 2.54   0.027% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  29.99 +/- 5.31   0.035% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.26 +/- 3.93   0.027% *  0.0145% (0.18   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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 2.57, residual support = 29.7:
    * O T HA    SER   37 - HB2   SER   37   2.88 +/- 0.18  78.288% * 96.8321% (1.00  10.0 10.00   2.58  29.75) =  99.808%  kept
          HA    LEU   40 - HB2   SER   37   7.23 +/- 1.14   8.763% *  1.3986% (0.38   1.0  1.00   0.77   0.70) =   0.161%  kept
        T HA    SER   13 - HB2   SER   37  12.97 +/- 4.16   2.773% *  0.5482% (0.57   1.0 10.00   0.02   0.02) =   0.020%
          HA    GLU-  15 - HB2   SER   37   9.61 +/- 3.26   6.677% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLN   17 - HB2   SER   37  12.16 +/- 2.66   2.067% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   46 - HB2   SER   37  23.50 +/- 1.56   0.151% *  0.9598% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.60 +/- 1.36   1.071% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  22.26 +/- 3.01   0.210% *  0.0509% (0.53   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 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 = 0.833, support = 1.99, residual support = 29.3:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  77.374% * 93.2813% (0.84  10.0 10.00   2.00  29.75) =  98.303%  kept
          HB    THR   39 - HB2   SER   37   3.32 +/- 1.01  21.527% *  5.7534% (0.69   1.0  1.00   1.50   4.23) =   1.687%  kept
        T QB    SER   13 - HB2   SER   37  12.00 +/- 3.80   0.971% *  0.7225% (0.65   1.0 10.00   0.02   0.02) =   0.010%
          HB    THR  118 - HB2   SER   37  21.23 +/- 3.35   0.072% *  0.1114% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  24.76 +/- 1.94   0.029% *  0.0933% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  27.91 +/- 5.17   0.026% *  0.0381% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.666, support = 2.34, residual support = 21.3:
    * O T HA    SER   37 - HB3   SER   37   2.66 +/- 0.27  37.768% * 68.0513% (0.84  10.0 10.00   2.58  29.75) =  64.246%  kept
      O T HA    SER   13 - QB    SER   13   2.42 +/- 0.15  48.453% * 29.4827% (0.36  10.0 10.00   1.93   6.15) =  35.709%  kept
        T HA    SER   37 - QB    SER   13  12.44 +/- 3.83   1.713% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.022%
        T HA    SER   13 - HB3   SER   37  12.26 +/- 3.89   1.182% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.011%
          HA    GLN   17 - QB    SER   13  10.50 +/- 1.90   1.679% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - QB    SER   13   6.81 +/- 0.87   2.651% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   SER   37   9.41 +/- 2.92   1.908% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.19 +/- 1.42   2.604% *  0.0255% (0.31   1.0  1.00   0.02   0.70) =   0.002%
          HA    GLN   17 - HB3   SER   37  12.37 +/- 2.56   0.633% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.24 +/- 1.68   0.053% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.06 +/- 2.55   0.058% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.47 +/- 1.71   0.407% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  15.33 +/- 3.34   0.601% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.40 +/- 2.21   0.141% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.98 +/- 3.08   0.072% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.55 +/- 3.04   0.077% *  0.0274% (0.34   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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  80.486% * 98.1382% (0.84  10.0 10.00   2.00  29.75) =  99.938%  kept
        T HA    VAL   70 - HB3   SER   37   9.91 +/- 2.97   7.365% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.045%
        T HB2   SER   37 - QB    SER   13  12.00 +/- 3.80   1.022% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.010%
          HA1   GLY   16 - HB3   SER   37   9.84 +/- 3.13   3.524% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.004%
        T HA    VAL   70 - QB    SER   13  13.82 +/- 2.90   0.398% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB3   SER   37   6.66 +/- 1.40   3.198% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    SER   13  12.55 +/- 3.24   3.203% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.50 +/- 1.45   0.735% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   SER   37  24.54 +/- 3.98   0.042% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.40 +/- 2.81   0.027% *  0.0366% (0.31   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 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 = 6.82, residual support = 219.9:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.78 +/- 0.17  79.245% * 99.6880% (1.00  10.0 10.00   6.82 219.92) =  99.990%  kept
        T HB2   LYS+  38 - HA    GLU- 100  10.59 +/- 7.56  10.707% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU-  29 - HA    LYS+  38  15.37 +/- 0.79   0.506% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.45 +/- 1.98   1.396% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  13.76 +/- 2.44   1.031% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.62 +/- 0.64   0.721% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.41 +/- 0.93   0.254% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.35 +/- 2.22   0.083% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  17.12 +/- 5.05   2.398% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.83 +/- 4.50   0.795% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.54 +/- 5.29   1.146% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.82 +/- 4.68   0.732% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.11 +/- 4.48   0.850% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  25.64 +/- 3.02   0.136% *  0.0032% (0.03   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 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 219.9:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.60 +/- 0.23  74.342% * 98.2125% (1.00  10.0 10.00   5.89 219.92) =  99.982%  kept
        T HB3   LYS+  38 - HA    GLU- 100   9.79 +/- 7.51  12.811% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.010%
          QB    LYS+  33 - HA    LYS+  38   8.01 +/- 0.59   2.931% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HA    LYS+  38  11.39 +/- 1.53   1.243% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HA    LYS+  38  24.25 +/- 3.26   0.154% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   68 - HA    LYS+  38  16.37 +/- 2.43   0.403% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HA    LYS+  38  30.01 +/- 5.85   0.232% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  38  17.75 +/- 2.46   0.265% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.20 +/- 3.49   0.145% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.79 +/- 3.34   0.362% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  16.36 +/- 4.09   0.404% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.59 +/- 2.73   0.087% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  14.06 +/- 4.07   0.955% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  26.22 +/- 3.56   0.092% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  25.50 +/- 3.05   0.095% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  27.68 +/- 1.70   0.068% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  12.39 +/- 4.39   1.298% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.92 +/- 4.71   0.848% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.97 +/- 0.81   0.526% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.54 +/- 0.60   1.211% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.48 +/- 0.99   0.625% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.04 +/- 2.85   0.139% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  19.24 +/- 5.69   0.450% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.66 +/- 3.03   0.100% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  24.88 +/- 2.76   0.117% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  29.86 +/- 4.20   0.099% *  0.0017% (0.02   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 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.981, support = 6.88, residual support = 216.0:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.81 +/- 0.66  44.583% * 93.0706% (1.00  10.0 10.00   6.91 219.92) =  97.862%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.38 +/- 0.44  15.113% *  5.5125% (0.06   1.0 10.00   5.87  39.15) =   1.965%  kept
        T HG2   LYS+  99 - HA    LYS+  38   9.57 +/- 6.05   6.959% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.150%  kept
        T HG2   LYS+  38 - HA    GLU- 100  10.22 +/- 7.61  14.036% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.019%
          HB2   LEU   31 - HA    LYS+  38   9.66 +/- 1.19   1.390% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    GLU- 100  12.38 +/- 4.89   6.889% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  38  13.18 +/- 4.62   1.864% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+  38  18.85 +/- 5.29   0.785% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  20.86 +/- 2.74   0.137% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.70 +/- 2.86   0.201% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.47 +/- 1.72   0.191% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.14 +/- 1.13   0.142% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.95 +/- 1.85   6.322% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  25.13 +/- 5.25   0.100% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  30.31 +/- 3.12   0.058% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  18.25 +/- 3.20   0.233% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.74 +/- 1.79   0.174% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  23.03 +/- 4.72   0.134% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  20.03 +/- 3.50   0.168% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.21 +/- 1.62   0.209% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.90 +/- 3.35   0.069% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  20.70 +/- 6.90   0.243% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.13 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.983, support = 6.64, residual support = 202.3:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.44 +/- 0.65  25.887% * 78.7662% (1.00  10.0 10.00   6.92 219.92) =  91.224%  kept
          QG2   THR   39 - HA    LYS+  38   5.31 +/- 0.61   8.441% * 16.4632% (0.90   1.0  1.00   4.66  23.80) =   6.217%  kept
          QB    ALA   34 - HA    LYS+  38   4.12 +/- 0.64  18.102% *  2.3401% (0.80   1.0  1.00   0.74   0.02) =   1.895%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.32 +/- 0.64   7.332% *  1.7863% (0.02   1.0 10.00   4.97  39.15) =   0.586%  kept
        T HG3   LYS+  99 - HA    LYS+  38   9.95 +/- 5.72   3.478% *  0.2956% (0.38   1.0 10.00   0.02   0.02) =   0.046%
        T HG3   LYS+  38 - HA    GLU- 100  10.37 +/- 8.09   9.036% *  0.0476% (0.06   1.0 10.00   0.02   0.02) =   0.019%
          HG    LEU   71 - HA    LYS+  38   9.66 +/- 2.57   5.880% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   39 - HA    GLU- 100   8.73 +/- 4.83   9.177% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    GLU- 100   8.06 +/- 4.76   9.187% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  38  13.35 +/- 3.12   0.705% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  21.86 +/- 3.10   0.162% *  0.0745% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    LYS+  38  17.65 +/- 1.28   0.215% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.46 +/- 1.85   0.089% *  0.0706% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  19.41 +/- 1.44   0.159% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.53 +/- 4.69   0.511% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  13.94 +/- 5.59   0.812% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.09 +/- 4.20   0.438% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  22.23 +/- 2.85   0.124% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.65 +/- 2.20   0.124% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.25 +/- 1.79   0.142% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 219.8:
    *   T QD    LYS+  38 - HA    LYS+  38   3.58 +/- 0.51  61.470% * 97.0123% (1.00 10.00   6.01 219.92) =  99.953%  kept
        T QD    LYS+  38 - HA    GLU- 100   9.30 +/- 6.58  23.472% *  0.0586% (0.06 10.00   0.02   0.02) =   0.023%
        T QD    LYS+  65 - HA    LYS+  38  19.15 +/- 1.88   0.570% *  0.8955% (0.92 10.00   0.02   0.02) =   0.009%
        T HB    VAL   83 - HA    LYS+  38  23.89 +/- 5.30   0.322% *  0.9362% (0.97 10.00   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HA    LYS+  38  14.12 +/- 5.46   2.658% *  0.0777% (0.80  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HA    LYS+  38  19.56 +/- 1.66   0.467% *  0.3309% (0.34 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LYS+  38  19.52 +/- 3.84   0.591% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  30.84 +/- 3.45   0.156% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.02 +/- 0.82   6.508% *  0.0047% (0.05  1.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HA    GLU- 100  21.71 +/- 4.73   0.455% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  22.65 +/- 4.59   0.403% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  20.79 +/- 2.35   0.384% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.16 +/- 2.47   0.193% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.30 +/- 1.97   0.404% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.75 +/- 2.84   0.185% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  19.70 +/- 5.75   0.738% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.52 +/- 3.55   0.184% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  23.81 +/- 5.85   0.375% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.02 +/- 2.27   0.218% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.38 +/- 2.67   0.248% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.82, residual support = 219.9:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.78 +/- 0.17  87.585% * 99.6785% (1.00  10.0 10.00   6.82 219.92) =  99.970%  kept
        T HA    GLU- 100 - HB2   LYS+  38  10.59 +/- 7.56  11.825% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.030%
          HA    VAL   24 - HB2   LYS+  38  19.77 +/- 1.68   0.277% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  26.69 +/- 5.11   0.139% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  27.23 +/- 3.97   0.174% *  0.0154% (0.15   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 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 = 5.6, residual support = 219.9:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  98.279% * 98.9214% (1.00  10.0 10.00   5.60 219.92) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.16 +/- 0.71   0.752% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.54 +/- 1.58   0.248% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  29.77 +/- 1.72   0.021% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.46 +/- 2.55   0.081% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  26.67 +/- 3.79   0.042% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  17.02 +/- 2.63   0.178% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  25.52 +/- 3.56   0.053% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.45 +/- 3.64   0.106% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  18.29 +/- 4.24   0.119% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.49 +/- 2.98   0.024% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  31.50 +/- 6.39   0.070% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  28.22 +/- 3.33   0.027% *  0.0560% (0.57   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 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 219.8:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.67 +/- 0.13  91.889% * 98.5858% (1.00  10.0 10.00   6.61 219.92) =  99.958%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  11.07 +/- 6.46   3.785% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.040%
          HB2   LEU   31 - HB2   LYS+  38  11.92 +/- 1.49   1.345% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  38  19.00 +/- 5.63   1.053% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  22.61 +/- 2.85   0.187% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  20.21 +/- 2.95   0.292% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  15.37 +/- 4.58   0.821% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.28 +/- 2.12   0.277% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.95 +/- 1.07   0.172% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  27.41 +/- 5.02   0.117% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  32.00 +/- 3.37   0.062% *  0.0789% (0.80   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.06, residual support = 215.7:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.57 +/- 0.36  78.353% * 82.0179% (1.00  10.0 10.00   6.11 219.92) =  97.892%  kept
          QG2   THR   39 - HB2   LYS+  38   6.10 +/- 0.72   8.121% * 15.0647% (0.90   1.0  1.00   4.10  23.80) =   1.864%  kept
          QB    ALA   34 - HB2   LYS+  38   6.16 +/- 0.62   6.486% *  2.3219% (0.80   1.0  1.00   0.71   0.02) =   0.229%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  11.42 +/- 6.06   2.750% *  0.3078% (0.38   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   71 - HB2   LYS+  38  10.78 +/- 2.60   3.048% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  14.91 +/- 3.18   0.620% *  0.0464% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.07 +/- 3.36   0.161% *  0.0776% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.32 +/- 1.36   0.211% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.09 +/- 1.93   0.096% *  0.0736% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  21.38 +/- 1.49   0.154% *  0.0280% (0.34   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 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 219.8:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.60 +/- 0.23  84.825% * 99.5407% (1.00  10.0 10.00   5.89 219.92) =  99.961%  kept
        T HA    GLU- 100 - HB3   LYS+  38   9.79 +/- 7.51  14.609% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.038%
        T HD2   PRO   58 - HB3   LYS+  38  26.47 +/- 4.25   0.193% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HB3   LYS+  38  19.63 +/- 1.90   0.252% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  26.02 +/- 5.00   0.121% *  0.0197% (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 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 219.9:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.129% * 99.2933% (1.00  10.0 10.00   5.60 219.92) = 100.000%  kept
        T HB2   GLN   90 - HB3   LYS+  38  29.58 +/- 2.41   0.022% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  17.62 +/- 0.85   0.100% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  14.78 +/- 2.68   0.255% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  13.23 +/- 1.99   0.303% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.85 +/- 0.59   0.136% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.58 +/- 1.15   0.055% *  0.0339% (0.34   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 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 = 219.6:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.01 +/- 0.05  81.088% * 98.5858% (1.00  10.0 10.00   5.64 219.92) =  99.845%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   9.95 +/- 6.59  12.552% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.151%  kept
          HB2   LEU   31 - HB3   LYS+  38  11.90 +/- 1.50   1.727% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HB3   LYS+  38  18.45 +/- 5.79   1.592% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  21.82 +/- 2.97   0.261% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  14.40 +/- 4.61   1.407% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.49 +/- 2.93   0.456% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.52 +/- 2.43   0.446% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.38 +/- 1.15   0.235% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  26.80 +/- 4.88   0.149% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.96 +/- 3.15   0.087% *  0.0789% (0.80   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 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.48, residual support = 216.3:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.65 +/- 0.15  77.479% * 82.9751% (1.00  10.0 10.00   5.52 219.92) =  98.179%  kept
          QG2   THR   39 - HB3   LYS+  38   5.98 +/- 0.59   7.477% * 14.2477% (0.90   1.0  1.00   3.83  23.80) =   1.627%  kept
          QB    ALA   34 - HB3   LYS+  38   6.11 +/- 0.66   7.591% *  1.4684% (0.80   1.0  1.00   0.44   0.02) =   0.170%  kept
        T HG3   LYS+  99 - HB3   LYS+  38  10.33 +/- 6.18   3.903% *  0.3114% (0.38   1.0 10.00   0.02   0.02) =   0.019%
        T QG2   ILE   56 - HB3   LYS+  38  22.36 +/- 3.53   0.280% *  0.7849% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HB3   LYS+  38  10.53 +/- 2.56   2.118% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  14.99 +/- 3.37   0.653% *  0.0470% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.33 +/- 2.00   0.112% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.42 +/- 1.43   0.213% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  21.00 +/- 1.75   0.172% *  0.0283% (0.34   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 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.9:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.27 +/- 0.18  98.162% * 98.0597% (1.00  10.0 10.00   4.63 219.92) =  99.997%  kept
        T QD    LYS+  65 - HB3   LYS+  38  20.19 +/- 1.93   0.164% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HB3   LYS+  38  14.64 +/- 5.79   0.858% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB3   LYS+  38  21.19 +/- 1.81   0.136% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  19.68 +/- 3.95   0.226% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  31.47 +/- 3.52   0.048% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  22.59 +/- 4.98   0.165% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.59 +/- 4.91   0.096% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.05 +/- 2.92   0.072% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  27.73 +/- 3.34   0.073% *  0.0218% (0.22   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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 6.89, residual support = 216.0:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.81 +/- 0.66  54.386% * 93.7297% (1.00  10.0 10.00   6.91 219.92) =  97.840%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.38 +/- 0.44  18.774% *  5.6871% (0.06   1.0 10.00   5.87  39.15) =   2.049%  kept
        T HA    GLU- 100 - HG2   LYS+  38  10.22 +/- 7.61  16.864% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.068%
        T HA    LYS+  38 - HG2   LYS+  99   9.57 +/- 6.05   8.734% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.043%
          HA    VAL   24 - HG2   LYS+  38  19.29 +/- 1.91   0.196% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.56 +/- 4.29   0.544% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  25.86 +/- 5.40   0.097% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.81 +/- 4.22   0.098% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  22.45 +/- 4.39   0.157% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.32 +/- 3.40   0.151% *  0.0039% (0.04   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 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 219.9:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.67 +/- 0.13  87.839% * 99.4277% (1.00  10.0 10.00   6.61 219.92) =  99.987%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  11.07 +/- 6.46   3.620% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.011%
          HG3   GLU-  29 - HG2   LYS+  38  16.84 +/- 1.47   0.385% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.53 +/- 2.52   1.172% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  14.77 +/- 2.72   0.777% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.02 +/- 1.14   0.524% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.61 +/- 4.93   2.480% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  13.29 +/- 4.82   1.585% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.23 +/- 3.46   0.380% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.98 +/- 1.68   0.200% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.11 +/- 3.75   0.499% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  29.65 +/- 2.76   0.073% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  21.88 +/- 4.13   0.308% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  25.13 +/- 3.32   0.159% *  0.0143% (0.14   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 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 219.8:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.01 +/- 0.05  68.615% * 98.9095% (1.00  10.0 10.00   5.64 219.92) =  99.950%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   9.95 +/- 6.59  10.649% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.042%
          QB    LYS+  33 - HG2   LYS+  38   9.04 +/- 0.76   2.778% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  38  13.15 +/- 1.82   1.119% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  99  14.60 +/- 3.69   2.792% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG2   LYS+  99  13.19 +/- 4.06   2.630% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.96 +/- 3.46   1.104% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.89 +/- 2.46   0.303% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  26.21 +/- 3.94   0.170% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.24 +/- 4.64   1.042% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.72 +/- 0.77   0.949% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.73 +/- 1.17   1.811% *  0.0083% (0.08   1.0  1.00   0.02   0.43) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.08 +/- 0.73   1.961% *  0.0067% (0.07   1.0  1.00   0.02   0.41) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.15 +/- 3.78   0.191% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.79 +/- 3.45   0.397% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  17.62 +/- 4.29   0.483% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  17.23 +/- 6.37   1.537% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  31.13 +/- 6.35   0.291% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  28.93 +/- 2.90   0.092% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  27.51 +/- 3.63   0.105% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.41 +/- 3.54   0.189% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  28.99 +/- 2.29   0.081% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.04 +/- 3.76   0.220% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.14 +/- 2.39   0.141% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  24.38 +/- 3.16   0.217% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.24 +/- 4.07   0.132% *  0.0075% (0.08   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 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 = 0.916, support = 6.54, residual support = 214.1:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  42.539% * 75.5071% (1.00  10.0 10.00   6.57 219.92) =  89.962%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  42.539% *  7.7232% (0.10  10.0 10.00   6.56 174.58) =   9.202%  kept
          QG2   THR   39 - HG2   LYS+  38   6.06 +/- 1.19   1.749% * 14.2774% (0.90   1.0  1.00   4.22  23.80) =   0.699%  kept
          QB    ALA   34 - HG2   LYS+  38   5.81 +/- 1.02   3.337% *  1.3362% (0.80   1.0  1.00   0.44   0.02) =   0.125%  kept
        T HG3   LYS+  38 - HG2   LYS+  99  10.77 +/- 6.72   0.850% *  0.2058% (0.27   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  99 - HG2   LYS+  38  11.03 +/- 5.85   0.376% *  0.2834% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HG2   LYS+  99   8.50 +/- 4.16   6.091% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HG2   LYS+  99   8.45 +/- 4.48   1.496% *  0.0185% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG2   LYS+  38  11.08 +/- 3.01   0.365% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  20.94 +/- 1.78   0.027% *  0.2576% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  14.92 +/- 3.28   0.101% *  0.0427% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.70 +/- 3.51   0.041% *  0.0714% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.77 +/- 1.71   0.031% *  0.0702% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  13.06 +/- 5.32   0.193% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.02 +/- 1.62   0.036% *  0.0339% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  24.51 +/- 2.08   0.017% *  0.0677% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.44 +/- 4.25   0.088% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  20.39 +/- 3.15   0.037% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.86 +/- 3.47   0.058% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  20.94 +/- 2.05   0.029% *  0.0185% (0.24   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 = 219.8:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.43 +/- 0.12  87.459% * 96.4250% (1.00  10.0 10.00   5.75 219.92) =  99.962%  kept
        T QD    LYS+  38 - HG2   LYS+  99   9.38 +/- 5.59   5.316% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T QD    LYS+ 102 - HG2   LYS+  99   8.33 +/- 1.47   3.503% *  0.2104% (0.22   1.0 10.00   0.02   1.51) =   0.009%
        T QD    LYS+ 102 - HG2   LYS+  38  14.95 +/- 5.87   0.945% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  65 - HG2   LYS+  38  20.24 +/- 2.49   0.182% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  99  19.61 +/- 2.90   0.228% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  38  21.03 +/- 1.92   0.147% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+  38  20.31 +/- 3.51   0.197% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.84 +/- 1.50   0.168% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.88 +/- 3.97   0.049% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  16.68 +/- 6.13   0.602% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  25.41 +/- 5.28   0.113% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  26.34 +/- 3.86   0.108% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  23.25 +/- 4.44   0.155% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  20.53 +/- 6.51   0.308% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  27.42 +/- 2.73   0.072% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  22.21 +/- 4.22   0.164% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.60 +/- 2.21   0.114% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.05 +/- 2.94   0.069% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.38 +/- 2.22   0.103% *  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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.9, residual support = 218.3:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.44 +/- 0.65  52.943% * 97.3136% (1.00  10.0 10.00   6.92 219.92) =  99.142%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.32 +/- 0.64  17.525% *  2.2608% (0.02   1.0 10.00   4.97  39.15) =   0.762%  kept
        T HA    GLU- 100 - HG3   LYS+  38  10.37 +/- 8.09  18.978% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.079%
        T HA    LYS+  38 - HG3   LYS+  99   9.95 +/- 5.72   8.006% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.016%
          HA    VAL   24 - HG3   LYS+  38  20.18 +/- 2.08   0.342% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  18.53 +/- 4.42   1.134% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  27.18 +/- 4.29   0.224% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  26.51 +/- 5.49   0.152% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  22.30 +/- 4.42   0.387% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  23.66 +/- 3.55   0.308% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.13 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 219.9:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.57 +/- 0.36  84.394% * 99.6340% (1.00  10.0 10.00   6.11 219.92) =  99.995%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  11.42 +/- 6.06   2.977% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HG3   LYS+  38  17.89 +/- 1.50   0.309% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  15.33 +/- 2.64   0.755% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  16.43 +/- 5.03   7.201% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.03 +/- 2.18   0.873% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.07 +/- 1.22   0.420% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.96 +/- 1.78   0.161% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  12.88 +/- 4.88   1.782% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  30.15 +/- 2.58   0.064% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.38 +/- 3.39   0.301% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.28 +/- 3.54   0.411% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  21.94 +/- 4.22   0.218% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  24.81 +/- 3.38   0.133% *  0.0055% (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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 219.9:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.65 +/- 0.15  76.334% * 98.2474% (1.00  10.0 10.00   5.52 219.92) =  99.989%  kept
        T HB3   LYS+  38 - HG3   LYS+  99  10.33 +/- 6.18   3.840% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.005%
        T HB    ILE   56 - HG3   LYS+  38  26.56 +/- 3.88   0.133% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG3   LYS+  38  10.05 +/- 0.73   1.532% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  14.17 +/- 1.86   0.656% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  99  14.63 +/- 3.60   4.799% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - HG3   LYS+  99  22.78 +/- 3.60   0.181% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  19.10 +/- 2.81   0.231% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.37 +/- 3.09   0.601% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  25.51 +/- 3.85   0.166% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.39 +/- 3.84   2.351% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  17.82 +/- 4.73   0.371% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.94 +/- 3.74   0.293% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.00 +/- 4.89   1.516% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  31.53 +/- 6.60   0.270% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.35 +/- 2.97   0.067% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.22 +/- 1.18   1.635% *  0.0032% (0.03   1.0  1.00   0.02   0.43) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.40 +/- 1.07   0.821% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.00 +/- 1.13   1.848% *  0.0026% (0.03   1.0  1.00   0.02   0.41) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  28.15 +/- 3.53   0.076% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  16.84 +/- 6.44   1.554% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  29.48 +/- 2.09   0.061% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  22.36 +/- 3.85   0.237% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  24.07 +/- 3.25   0.196% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.76 +/- 2.41   0.111% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.77 +/- 4.07   0.122% *  0.0029% (0.03   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.57, residual support = 215.7:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  47.926% * 89.3736% (1.00  10.0 10.00   6.57 219.92) =  90.703%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  47.926% *  9.1415% (0.10  10.0 10.00   6.56 174.58) =   9.277%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  10.77 +/- 6.72   0.952% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.018%
        T HG2   LYS+  38 - HG3   LYS+  99  11.03 +/- 5.85   0.425% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  12.23 +/- 2.09   0.284% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.50 +/- 3.87   0.657% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.99 +/- 5.58   0.209% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.24 +/- 3.15   0.030% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  15.20 +/- 5.02   0.136% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  25.16 +/- 3.57   0.023% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.28 +/- 2.72   0.040% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.40 +/- 2.36   0.045% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.79 +/- 1.24   0.769% *  0.0014% (0.02   1.0  1.00   0.02  18.27) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.93 +/- 1.38   0.026% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  27.39 +/- 5.27   0.017% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.72 +/- 3.67   0.096% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.59 +/- 3.75   0.010% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.57 +/- 3.93   0.127% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.30 +/- 7.43   0.150% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.01 +/- 2.04   0.056% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.71 +/- 1.55   0.060% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.27 +/- 4.44   0.035% *  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 = 5.57, residual support = 219.9:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.30 +/- 0.13  90.182% * 97.6899% (1.00  10.0 10.00   5.57 219.92) =  99.990%  kept
        T QD    LYS+  38 - HG3   LYS+  99   9.61 +/- 5.25   3.315% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HG3   LYS+  99   8.48 +/- 1.91   3.048% *  0.0816% (0.08   1.0 10.00   0.02   1.51) =   0.003%
        T QD    LYS+  65 - HG3   LYS+  38  20.89 +/- 2.12   0.158% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HG3   LYS+  38  15.01 +/- 6.34   0.825% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+  38  21.83 +/- 1.77   0.119% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.20 +/- 3.02   0.216% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.42 +/- 3.75   0.179% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.14 +/- 4.04   0.048% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  23.33 +/- 4.66   0.161% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  26.10 +/- 5.36   0.085% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.50 +/- 1.63   0.172% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  15.95 +/- 6.07   0.627% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.81 +/- 3.86   0.112% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  27.81 +/- 2.88   0.057% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  19.76 +/- 6.36   0.281% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  22.04 +/- 4.23   0.161% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  28.45 +/- 3.08   0.055% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.12 +/- 2.39   0.107% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.96 +/- 2.25   0.091% *  0.0023% (0.02   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 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 219.7:
    *   T HA    LYS+  38 - QD    LYS+  38   3.58 +/- 0.51  61.619% * 98.6212% (1.00 10.00   6.01 219.92) =  99.904%  kept
        T HA    GLU- 100 - QD    LYS+  38   9.30 +/- 6.58  23.612% *  0.2196% (0.22 10.00   0.02   0.02) =   0.085%
        T HA    LYS+  38 - QD    LYS+  65  19.15 +/- 1.88   0.570% *  0.1802% (0.18 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HD2   LYS+  74  19.56 +/- 1.66   0.468% *  0.2163% (0.22 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  38  24.01 +/- 4.58   0.474% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  65  11.41 +/- 2.21   2.438% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  23.55 +/- 4.63   0.304% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  15.60 +/- 2.56   1.051% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  15.33 +/- 3.91   1.284% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  65  18.34 +/- 4.10   1.113% *  0.0357% (0.04 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  18.19 +/- 2.43   0.620% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  11.84 +/- 1.71   2.788% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  20.30 +/- 1.97   0.405% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  20.79 +/- 2.35   0.386% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  15.78 +/- 2.79   1.030% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.84 +/- 3.45   0.155% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.52 +/- 3.55   0.184% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  16.77 +/- 2.39   0.864% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.84 +/- 3.78   0.183% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  22.82 +/- 4.35   0.452% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 5.23, residual support = 219.9:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.98 +/- 0.41  62.305% * 99.6020% (1.00  10.0   5.23 219.92) =  99.995%  kept
          QG    GLN   17 - QD    LYS+  65   8.93 +/- 3.63  14.971% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74  10.27 +/- 3.83   8.241% *  0.0054% (0.05   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  16.42 +/- 1.44   0.516% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.55 +/- 2.41   1.643% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  38  14.20 +/- 2.64   1.055% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  14.91 +/- 1.08   0.655% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  19.28 +/- 5.12   1.226% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  19.95 +/- 1.98   0.324% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  11.28 +/- 1.98   1.987% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.33 +/- 1.82   0.462% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.03 +/- 1.04   1.998% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  26.69 +/- 2.99   0.124% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  18.45 +/- 2.82   0.401% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  18.21 +/- 3.47   0.411% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.54 +/- 1.75   0.201% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.45 +/- 2.08   0.227% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.58 +/- 1.90   0.517% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.52 +/- 2.02   0.469% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  16.55 +/- 3.61   0.819% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  18.46 +/- 2.55   0.457% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  18.15 +/- 3.31   0.434% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.50 +/- 3.74   0.064% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.43 +/- 3.78   0.068% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  23.15 +/- 3.11   0.178% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.79 +/- 4.28   0.078% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  26.72 +/- 3.35   0.107% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  33.38 +/- 3.64   0.063% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 219.9:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.27 +/- 0.18  73.492% * 98.4611% (1.00  10.0 10.00   4.63 219.92) =  99.993%  kept
        T QB    LYS+ 106 - HD2   LYS+ 111  12.66 +/- 2.76   1.697% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  38  13.03 +/- 2.01   0.530% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  38   9.74 +/- 0.77   1.024% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   LYS+  74  15.07 +/- 2.14   0.369% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.82 +/- 1.82   1.188% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.19 +/- 1.93   0.123% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  21.19 +/- 1.81   0.102% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65  10.40 +/- 3.56   1.649% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  15.38 +/- 3.64   2.260% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  14.81 +/- 3.98   3.235% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  22.51 +/- 4.29   0.221% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  23.44 +/- 4.14   0.143% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.75 +/- 2.19   0.202% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.01 +/- 1.58   0.687% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  16.75 +/- 4.17   0.765% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  15.46 +/- 3.09   0.467% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  27.94 +/- 6.51   0.337% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.61 +/- 3.24   0.286% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  15.33 +/- 4.52   0.610% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  15.56 +/- 3.78   0.309% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  13.09 +/- 4.20   1.098% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  15.49 +/- 2.67   0.322% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  14.56 +/- 2.13   0.384% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  13.84 +/- 3.08   0.882% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.03 +/- 3.35   0.066% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  16.72 +/- 3.92   0.279% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.48 +/- 2.03   0.396% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  19.10 +/- 5.19   0.507% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.11 +/- 2.78   0.361% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65  10.28 +/- 1.38   0.972% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  16.54 +/- 4.06   0.361% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  25.04 +/- 3.19   0.065% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  15.93 +/- 1.97   0.253% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.27 +/- 3.22   0.599% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  31.47 +/- 3.52   0.036% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  20.48 +/- 5.08   0.625% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  26.09 +/- 2.65   0.053% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.92 +/- 3.47   0.231% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  17.47 +/- 3.41   0.277% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.15 +/- 2.74   0.271% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  16.53 +/- 3.83   0.562% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  18.08 +/- 2.25   0.189% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.56 +/- 3.18   0.275% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  18.36 +/- 2.08   0.181% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.41 +/- 2.50   0.156% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  20.16 +/- 2.52   0.137% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  17.15 +/- 3.81   0.285% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.38 +/- 3.85   0.310% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  28.39 +/- 2.90   0.047% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  29.04 +/- 3.75   0.053% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  25.69 +/- 3.77   0.070% *  0.0016% (0.02   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 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.965, support = 5.77, residual support = 223.3:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.43 +/- 0.12  43.075% * 91.2181% (1.00  10.0 10.00   5.75 219.92) =  96.256%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.84 +/- 0.15  27.296% *  5.4974% (0.06  10.0 10.00   6.21 315.33) =   3.676%  kept
        T HG2   LYS+  99 - QD    LYS+  38   9.38 +/- 5.59   2.639% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.058%
          QG2   THR   77 - QD    LYS+  65   9.59 +/- 4.18   8.588% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    LYS+  38  11.13 +/- 2.09   0.889% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  38  16.65 +/- 4.97   1.392% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  27.84 +/- 3.26   0.034% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   8.44 +/- 3.86   3.311% *  0.0068% (0.07   1.0  1.00   0.02   4.30) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   7.87 +/- 1.54   2.239% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.61 +/- 2.90   0.106% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.07 +/- 2.99   0.121% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.84 +/- 1.50   0.082% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  20.24 +/- 2.49   0.089% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  21.03 +/- 1.92   0.070% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65   9.42 +/- 3.32   2.410% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  22.57 +/- 4.02   0.076% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.84 +/- 0.37   1.325% *  0.0075% (0.08   1.0  1.00   0.02   3.15) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.60 +/- 3.10   0.118% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.61 +/- 2.31   0.975% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.68 +/- 3.36   0.675% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  15.74 +/- 2.80   0.416% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.12 +/- 2.71   0.211% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.95 +/- 3.14   0.158% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  13.39 +/- 4.06   0.451% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  16.82 +/- 3.88   0.270% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.34 +/- 3.86   0.055% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.55 +/- 1.46   0.086% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.97 +/- 3.15   0.574% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  24.40 +/- 4.50   0.057% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  15.86 +/- 4.18   0.308% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.70 +/- 1.69   0.189% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.52 +/- 2.54   0.167% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.88 +/- 3.97   0.025% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.29 +/- 3.63   0.286% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  15.52 +/- 2.51   0.206% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.14 +/- 1.82   0.201% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.02 +/- 4.27   0.117% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.05 +/- 3.37   0.096% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.04 +/- 2.69   0.164% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  18.82 +/- 2.52   0.118% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  17.58 +/- 2.64   0.144% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  29.14 +/- 3.21   0.030% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.84 +/- 1.32   0.073% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.67 +/- 3.13   0.088% *  0.0011% (0.01   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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.96, support = 5.54, residual support = 216.1:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.13  48.170% * 78.1597% (1.00  10.0 10.00   5.57 219.92) =  94.615%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.77 +/- 0.18  28.183% *  5.8465% (0.07  10.0 10.00   5.54 186.70) =   4.141%  kept
          QG2   THR   39 - QD    LYS+  38   6.28 +/- 0.88   3.337% * 13.0400% (0.90   1.0  1.00   3.72  23.80) =   1.094%  kept
          QB    ALA   34 - QD    LYS+  38   6.24 +/- 1.08   3.659% *  1.3832% (0.80   1.0  1.00   0.44   0.02) =   0.127%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.61 +/- 5.25   1.748% *  0.2933% (0.38   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+  74 - QD    LYS+  65   7.63 +/- 2.47   4.124% *  0.0487% (0.06   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  38  19.51 +/- 2.27   0.096% *  0.2666% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.66 +/- 2.46   0.805% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.30 +/- 3.67   0.208% *  0.0739% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.64 +/- 1.96   0.929% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.57 +/- 3.15   0.283% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  20.89 +/- 2.12   0.082% *  0.1428% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.83 +/- 1.77   0.063% *  0.1714% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.23 +/- 2.80   0.887% *  0.0097% (0.12   1.0  1.00   0.02   8.40) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.46 +/- 4.18   0.670% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.46 +/- 1.91   0.834% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.20 +/- 3.02   0.117% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  13.67 +/- 2.62   0.383% *  0.0162% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.91 +/- 1.55   0.435% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.50 +/- 1.63   0.090% *  0.0643% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.60 +/- 2.42   0.580% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  13.14 +/- 1.89   0.359% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.58 +/- 1.82   0.296% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.99 +/- 2.24   0.061% *  0.0701% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  11.27 +/- 3.14   0.798% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.64 +/- 1.80   0.362% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  18.00 +/- 1.79   0.116% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111  11.15 +/- 2.81   0.717% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  15.32 +/- 2.97   0.230% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  13.52 +/- 1.85   0.311% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.55 +/- 1.50   0.305% *  0.0053% (0.07   1.0  1.00   0.02   0.13) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.14 +/- 4.04   0.025% *  0.0588% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.06 +/- 1.68   0.322% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.81 +/- 3.86   0.056% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  23.17 +/- 2.82   0.057% *  0.0201% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.46 +/- 3.56   0.098% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.94 +/- 2.60   0.053% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.43 +/- 4.11   0.061% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  28.54 +/- 4.03   0.038% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  27.35 +/- 4.51   0.049% *  0.0018% (0.02   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 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 = 36.8:
    * O T HB    THR   39 - HA    THR   39   2.83 +/- 0.22  75.522% * 98.6574% (1.00  10.0 10.00   3.00  36.81) =  99.969%  kept
          HB3   SER   37 - HA    THR   39   5.65 +/- 0.47  10.588% *  0.0952% (0.97   1.0  1.00   0.02   4.23) =   0.014%
          QB    SER   13 - HA    THR   39  13.60 +/- 4.23   6.568% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.009%
        T HB    THR   39 - HA    ILE  103  13.80 +/- 3.95   1.404% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   30 - HA    THR   39  11.16 +/- 1.91   1.607% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    THR   39  28.83 +/- 3.20   0.084% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.94 +/- 2.84   0.323% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.66 +/- 4.00   0.640% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  13.87 +/- 3.13   0.928% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  15.23 +/- 2.92   0.606% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  22.72 +/- 1.95   0.169% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.67 +/- 3.03   0.148% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  26.83 +/- 4.44   0.134% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.62 +/- 4.07   0.272% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  21.26 +/- 4.38   0.266% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.46 +/- 3.86   0.740% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.87, support = 3.02, residual support = 35.3:
    * O T QG2   THR   39 - HA    THR   39   2.64 +/- 0.39  50.424% * 71.8994% (0.87  10.0 10.00   3.00  36.81) =  93.212%  kept
          HG3   LYS+  38 - HA    THR   39   6.12 +/- 0.96   7.048% * 18.6518% (1.00   1.0  1.00   4.51  23.80) =   3.380%  kept
          QB    ALA   34 - HA    THR   39   4.95 +/- 1.23  17.719% *  7.4010% (0.84   1.0  1.00   2.14   6.43) =   3.372%  kept
        T QG2   THR   39 - HA    ILE  103  11.29 +/- 3.41   2.486% *  0.2375% (0.29   1.0 10.00   0.02   0.02) =   0.015%
          HG    LEU   71 - HA    THR   39   7.04 +/- 2.84   7.378% *  0.0230% (0.28   1.0  1.00   0.02   0.17) =   0.004%
          HG3   LYS+  99 - HA    THR   39   9.25 +/- 5.63   5.663% *  0.0283% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - HA    THR   39  11.62 +/- 3.61   2.144% *  0.0436% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    THR   39  17.40 +/- 1.98   0.224% *  0.4035% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    THR   39  21.89 +/- 2.12   0.115% *  0.7190% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  15.97 +/- 1.77   0.292% *  0.2375% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    ILE  103  18.09 +/- 4.12   0.348% *  0.1333% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE  103  10.70 +/- 3.31   1.289% *  0.0229% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   7.64 +/- 1.06   2.631% *  0.0093% (0.11   1.0  1.00   0.02   0.41) =   0.001%
          QG2   ILE   56 - HA    THR   39  19.70 +/- 2.76   0.239% *  0.0800% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  15.71 +/- 4.80   0.359% *  0.0273% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  17.40 +/- 2.72   0.314% *  0.0264% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  17.34 +/- 1.73   0.255% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.57 +/- 4.40   0.435% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  15.42 +/- 4.09   0.428% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.81 +/- 2.03   0.207% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.8:
    * O T HA    THR   39 - HB    THR   39   2.83 +/- 0.22  96.089% * 98.7925% (1.00  10.0 10.00   3.00  36.81) =  99.985%  kept
        T HA    ILE  103 - HB    THR   39  13.80 +/- 3.95   1.789% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.014%
          HA    ASP-  44 - HB    THR   39  15.77 +/- 0.79   0.590% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.08 +/- 4.82   0.629% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  22.22 +/- 3.58   0.259% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.85 +/- 2.46   0.187% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  22.95 +/- 1.75   0.200% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.52 +/- 3.52   0.100% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  25.47 +/- 2.76   0.156% *  0.0599% (0.61   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 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 = 0.864, support = 2.99, residual support = 32.2:
    * O T QG2   THR   39 - HB    THR   39   2.17 +/- 0.01  67.481% * 44.7706% (0.87  10.0 10.00   2.93  36.81) =  83.881%  kept
        T QB    ALA   34 - HB    THR   39   4.50 +/- 1.09  12.306% * 43.1108% (0.84   1.0 10.00   3.22   6.43) =  14.729%  kept
          HG3   LYS+  38 - HB    THR   39   7.05 +/- 1.55   4.442% * 11.1364% (1.00   1.0  1.00   4.32  23.80) =   1.373%  kept
        T HG3   LYS+  99 - HB    THR   39  10.30 +/- 5.31   1.579% *  0.1761% (0.34   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   71 - HB    THR   39   6.69 +/- 3.55  11.410% *  0.0144% (0.28   1.0  1.00   0.02   0.17) =   0.005%
          HG13  ILE   19 - HB    THR   39  10.58 +/- 4.26   2.213% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  16.42 +/- 2.66   0.199% *  0.2512% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  21.85 +/- 1.93   0.073% *  0.4477% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  19.92 +/- 2.60   0.109% *  0.0498% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.58 +/- 2.56   0.188% *  0.0159% (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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.8:
    * O T HA    THR   39 - QG2   THR   39   2.64 +/- 0.39  65.376% * 96.3159% (0.87  10.0 10.00   3.00  36.81) =  99.929%  kept
        T HA    ILE  103 - QG2   THR   39  11.29 +/- 3.41   3.524% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.039%
        T HA    ILE  103 - QG2   THR   23  18.09 +/- 4.12   0.830% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  79 - QB    ALA   91  13.46 +/- 3.01   5.452% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.004%
        T HB    THR   77 - QG2   THR   23  14.40 +/- 2.85   0.701% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR   77 - QB    ALA   91   9.01 +/- 3.41   7.641% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QG2   THR   23  11.28 +/- 4.50   3.029% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  17.40 +/- 1.98   0.298% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ILE  103 - QB    ALA   91  15.97 +/- 1.77   0.398% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   85 - QB    ALA   91   8.43 +/- 1.26   2.619% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  21.89 +/- 2.12   0.154% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA   91  12.44 +/- 2.86   1.163% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91  10.18 +/- 1.42   1.863% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    ALA   91  14.21 +/- 3.68   1.165% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   23  17.44 +/- 5.58   1.523% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  12.69 +/- 1.06   0.779% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   39  15.21 +/- 4.04   0.658% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.78 +/- 2.81   0.360% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  19.49 +/- 2.00   0.226% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.66 +/- 2.50   0.661% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  18.67 +/- 1.89   0.279% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.78 +/- 3.98   0.356% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  23.95 +/- 2.54   0.142% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  17.67 +/- 4.05   0.386% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  21.00 +/- 2.72   0.195% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  21.61 +/- 2.39   0.166% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  30.95 +/- 4.41   0.057% *  0.0221% (0.20   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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.865, support = 2.9, residual support = 36.4:
    * O T HB    THR   39 - QG2   THR   39   2.17 +/- 0.01  64.715% * 90.9710% (0.87  10.0 10.00   2.93  36.81) =  98.548%  kept
          HB3   SER   37 - QG2   THR   39   4.02 +/- 0.99  19.028% *  3.2923% (0.84   1.0  1.00   0.75   4.23) =   1.049%  kept
          HA    ILE   89 - QB    ALA   91   5.09 +/- 0.65   5.885% *  4.0069% (0.40   1.0  1.00   1.93   7.68) =   0.395%  kept
          QB    SER   13 - QG2   THR   39  10.54 +/- 3.67   1.460% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB    THR   39 - QG2   THR   23  16.42 +/- 2.66   0.184% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   30 - QG2   THR   39   8.48 +/- 2.37   3.262% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   23  14.80 +/- 3.56   0.610% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  21.85 +/- 1.93   0.070% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  15.11 +/- 6.06   0.517% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.95 +/- 1.90   0.544% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.60 +/- 2.68   0.255% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.56 +/- 4.41   0.437% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91  11.11 +/- 3.15   0.959% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  12.90 +/- 2.24   0.405% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  18.57 +/- 2.09   0.122% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.53 +/- 0.71   0.803% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  17.84 +/- 3.07   0.184% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.76 +/- 2.04   0.159% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.82 +/- 3.74   0.093% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.29 +/- 2.60   0.053% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  25.44 +/- 2.53   0.047% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.41 +/- 2.19   0.058% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  21.34 +/- 2.48   0.079% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.68 +/- 2.33   0.071% *  0.0107% (0.10   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 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 = 0.992, support = 5.27, residual support = 102.6:
    * O T HB2   LEU   40 - HA    LEU   40   2.80 +/- 0.23  65.068% * 93.6536% (1.00  10.0 10.00   5.31 103.86) =  98.787%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.76 +/- 0.67  16.046% *  4.4390% (0.39   1.0  1.00   2.41   1.75) =   1.155%  kept
        T HB2   LEU   40 - HA    GLU-  15  11.72 +/- 2.85   2.513% *  0.7574% (0.81   1.0 10.00   0.02   0.02) =   0.031%
        T HB2   LEU   40 - HA    ASN   35   9.49 +/- 1.56   2.355% *  0.3511% (0.37   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   LEU   67 - HA    LEU   40  10.40 +/- 2.26   2.360% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   67 - HA    GLU-  15  11.59 +/- 1.93   1.190% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HA    LEU   40  14.91 +/- 3.98   2.560% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HA    LEU   40  12.19 +/- 2.04   0.989% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.05 +/- 0.41   2.032% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LEU   40  12.26 +/- 1.38   0.862% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.04 +/- 2.52   0.445% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.46 +/- 1.64   0.766% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  25.04 +/- 5.13   0.247% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  15.19 +/- 3.52   0.803% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  20.31 +/- 2.96   0.213% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  18.20 +/- 2.72   0.309% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  22.11 +/- 4.28   0.216% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  26.85 +/- 4.34   0.133% *  0.0459% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  19.95 +/- 5.12   0.389% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  16.63 +/- 1.41   0.349% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.98 +/- 5.80   0.155% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.888, support = 5.51, residual support = 103.8:
    * O T HB3   LEU   40 - HA    LEU   40   2.52 +/- 0.32  51.877% * 70.6117% (1.00  10.0 10.00   5.54 103.86) =  82.126%  kept
      O T HG    LEU   40 - HA    LEU   40   3.23 +/- 0.52  30.003% * 26.5014% (0.38  10.0 10.00   5.43 103.86) =  17.826%  kept
        T HB3   LEU   40 - HA    GLU-  15  12.16 +/- 3.36   2.075% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.027%
        T HB3   LEU   40 - HA    ASN   35   9.37 +/- 1.50   1.570% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU  115 - HA    LEU   40  18.01 +/- 2.07   0.157% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LEU   40  11.06 +/- 2.59   2.830% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HA    ASN   35  10.66 +/- 1.31   0.849% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    GLU-  15   9.78 +/- 2.51   3.368% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    LEU   40  18.51 +/- 2.33   0.139% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    GLU-  15  12.28 +/- 2.92   1.710% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LEU   40  15.78 +/- 3.41   0.306% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  13.28 +/- 2.58   0.546% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  12.37 +/- 2.28   0.563% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  24.73 +/- 3.30   0.070% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  24.74 +/- 2.53   0.059% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  14.76 +/- 1.48   0.292% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  12.63 +/- 1.62   0.523% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.89 +/- 5.12   0.719% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  14.25 +/- 2.96   0.556% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  21.04 +/- 3.67   0.112% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.07 +/- 2.75   0.056% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  23.83 +/- 2.66   0.070% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.30 +/- 0.57   0.481% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.02 +/- 1.14   0.225% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.01 +/- 2.99   0.115% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.82 +/- 2.59   0.216% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.82 +/- 1.51   0.135% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.68 +/- 4.49   0.119% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  20.80 +/- 2.44   0.121% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  20.36 +/- 4.03   0.139% *  0.0046% (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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.3, residual support = 103.7:
    * O T HA    LEU   40 - HB2   LEU   40   2.80 +/- 0.23  60.110% * 97.5452% (1.00  10.0 10.00   5.31 103.86) =  99.820%  kept
          HA    LYS+  99 - HB2   LEU   40   7.57 +/- 5.39  13.096% *  0.5238% (0.25   1.0  1.00   0.43   9.41) =   0.117%  kept
        T HA    GLU-  15 - HB2   LEU   40  11.72 +/- 2.85   2.376% *  0.9227% (0.95   1.0 10.00   0.02   0.02) =   0.037%
        T HA    ASN   35 - HB2   LEU   40   9.49 +/- 1.56   2.231% *  0.3661% (0.38   1.0 10.00   0.02   0.02) =   0.014%
        T HA    LEU   40 - HB2   LEU   67  10.40 +/- 2.26   2.183% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   LEU   40  16.35 +/- 3.64   1.258% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   LEU   67  11.59 +/- 1.93   1.077% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LEU   40  16.51 +/- 6.17   1.563% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   LEU   40   9.69 +/- 1.30   1.905% *  0.0366% (0.38   1.0  1.00   0.02   0.70) =   0.001%
          HA    GLN   17 - HB2   LEU   40  11.44 +/- 2.03   1.259% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  17.90 +/- 3.09   0.482% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   67   8.02 +/- 3.74   5.106% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.04 +/- 2.52   0.412% *  0.0337% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.81 +/- 3.65   0.277% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.10 +/- 1.94   0.250% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  14.83 +/- 6.10   1.335% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  14.72 +/- 2.99   1.493% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  13.59 +/- 1.95   0.617% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.10 +/- 3.45   1.132% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.37 +/- 2.22   0.405% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  13.98 +/- 4.53   1.095% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  16.39 +/- 1.47   0.337% *  0.0037% (0.04   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 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 = 0.921, support = 4.32, residual support = 103.3:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  57.173% * 69.9238% (1.00  10.0 10.00   4.25 103.86) =  87.999%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.63 +/- 0.27  18.483% * 26.2432% (0.38  10.0  1.00   4.78 103.86) =  10.677%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.62 +/- 0.31  19.134% *  3.1374% (0.04  10.0  1.00   5.03  60.58) =   1.321%  kept
        T HG    LEU   40 - HB2   LEU   67   8.47 +/- 2.30   1.039% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HB2   LEU   67  10.10 +/- 1.85   0.389% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU   40  10.08 +/- 2.22   0.540% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  18.42 +/- 2.77   0.064% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  15.20 +/- 3.77   0.161% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.08 +/- 2.20   0.119% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  13.49 +/- 5.24   0.386% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.78 +/- 2.14   0.069% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  14.87 +/- 1.85   0.115% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.24 +/- 1.83   0.180% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  15.88 +/- 2.66   0.110% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  10.42 +/- 2.62   0.680% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.40 +/- 1.40   0.094% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  14.16 +/- 3.90   0.196% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.30 +/- 0.81   0.604% *  0.0014% (0.02   1.0  1.00   0.02   0.33) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  13.46 +/- 4.79   0.317% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.24 +/- 1.40   0.147% *  0.0018% (0.03   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 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.52, residual support = 103.6:
    * O T HA    LEU   40 - HB3   LEU   40   2.52 +/- 0.32  59.280% * 97.4794% (1.00  10.0 10.00   5.54 103.86) =  99.726%  kept
          HA    LYS+  99 - HB3   LEU   40   6.75 +/- 5.68  23.179% *  0.5235% (0.25   1.0  1.00   0.43   9.41) =   0.209%  kept
        T HA    GLU-  15 - HB3   LEU   40  12.16 +/- 3.36   2.754% *  0.9221% (0.95   1.0 10.00   0.02   0.02) =   0.044%
        T HA    ASN   35 - HB3   LEU   40   9.37 +/- 1.50   2.237% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.014%
          HA    SER   13 - HB3   LEU   40  16.91 +/- 3.85   0.953% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB3   LEU   40  10.02 +/- 1.30   2.031% *  0.0366% (0.38   1.0  1.00   0.02   0.70) =   0.001%
          HA    GLN   17 - HB3   LEU   40  11.96 +/- 2.44   1.165% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU   40  18.07 +/- 3.30   0.343% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LEU   40  16.94 +/- 5.96   0.571% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB3   LEU  115  18.51 +/- 2.33   0.186% *  0.1144% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   8.80 +/- 2.21   2.866% *  0.0047% (0.05   1.0  1.00   0.02   0.11) =   0.000%
          HA    PRO   58 - HB3   LEU  115  10.73 +/- 1.02   1.071% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.92 +/- 3.74   0.280% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  24.73 +/- 3.30   0.094% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.08 +/- 2.68   1.903% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.06 +/- 1.87   0.211% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.07 +/- 2.75   0.072% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.73 +/- 0.90   0.364% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  21.09 +/- 3.22   0.161% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  30.03 +/- 3.41   0.044% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.88 +/- 1.75   0.159% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.10 +/- 3.63   0.075% *  0.0043% (0.04   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 103.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  94.043% * 99.4293% (1.00  10.0 10.00   4.25 103.86) =  99.996%  kept
          HB3   GLU-  14 - HB3   LEU   40  15.11 +/- 4.18   3.316% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HB3   LEU   40  10.10 +/- 1.85   0.642% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   96 - HB3   LEU   40  12.72 +/- 2.11   0.299% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  18.42 +/- 2.77   0.104% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.51 +/- 5.88   0.191% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.20 +/- 1.41   0.315% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.96 +/- 1.63   0.357% *  0.0093% (0.09   1.0  1.00   0.02   0.25) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  15.88 +/- 2.66   0.179% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.34 +/- 4.13   0.072% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.11 +/- 2.06   0.275% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.22 +/- 3.49   0.157% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  27.22 +/- 3.68   0.034% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  34.99 +/- 4.58   0.015% *  0.0036% (0.04   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 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 = 4.31, residual support = 76.0:
    * O T HB    VAL   41 - HA    VAL   41   2.71 +/- 0.22  81.124% * 99.0830% (0.69  10.0 10.00   4.31  76.02) =  99.984%  kept
          HB3   ASP- 105 - HA    VAL   41  11.85 +/- 3.16   7.760% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.006%
          HG12  ILE  103 - HA    VAL   41  10.13 +/- 2.66   2.254% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HA    VAL   41   9.80 +/- 1.81   2.482% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    VAL   41  12.35 +/- 2.63   1.323% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  12.53 +/- 2.15   1.006% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.19 +/- 1.65   1.016% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  19.20 +/- 3.72   0.303% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    VAL   41  22.62 +/- 4.37   0.630% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    VAL   41  12.17 +/- 1.85   1.116% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  23.00 +/- 2.10   0.168% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.23 +/- 1.73   0.322% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  20.31 +/- 1.77   0.241% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.81 +/- 2.64   0.254% *  0.0285% (0.20   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 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.23, residual support = 75.5:
    * O T QG1   VAL   41 - HA    VAL   41   2.74 +/- 0.37  50.031% * 93.9204% (1.00  10.0 10.00   4.25  76.02) =  99.350%  kept
          QG1   VAL   43 - HA    VAL   41   6.25 +/- 1.05   5.454% *  4.9662% (0.95   1.0  1.00   1.12   1.16) =   0.573%  kept
        T QG2   VAL   18 - HA    VAL   41   8.84 +/- 2.07   2.154% *  0.7178% (0.76   1.0 10.00   0.02   0.02) =   0.033%
          QD2   LEU   73 - HA    VAL   41   5.60 +/- 2.62  21.839% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.019%
        T QD2   LEU  104 - HA    VAL   41   8.43 +/- 2.69   2.727% *  0.1859% (0.20   1.0 10.00   0.02   0.02) =   0.011%
          QD1   ILE   19 - HA    VAL   41   8.03 +/- 3.11  11.769% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HA    VAL   41   8.02 +/- 2.17   4.732% *  0.0570% (0.61   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HA    VAL   41  12.65 +/- 0.96   0.566% *  0.0608% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  15.28 +/- 2.71   0.727% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 3.93, residual support = 75.9:
    * O T QG2   VAL   41 - HA    VAL   41   2.46 +/- 0.47  78.772% * 98.7053% (1.00  10.0 10.00   3.94  76.02) =  99.765%  kept
          QD2   LEU   98 - HA    VAL   41   6.07 +/- 2.95  15.741% *  1.1414% (0.95   1.0  1.00   0.24  22.02) =   0.231%  kept
          QD2   LEU   63 - HA    VAL   41   8.62 +/- 2.43   4.414% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   80 - HA    VAL   41  16.04 +/- 4.86   1.073% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 76.0:
    * O T HA    VAL   41 - HB    VAL   41   2.71 +/- 0.22  98.284% * 99.8595% (0.69  10.0 10.00   4.31  76.02) =  99.999%  kept
          HA    PHE   45 - HB    VAL   41  12.75 +/- 1.07   0.997% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB    VAL   41  16.39 +/- 4.99   0.719% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 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 = 0.686, support = 4.29, residual support = 75.6:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  59.547% * 93.0320% (0.69  10.0 10.00   4.30  76.02) =  99.444%  kept
          QG1   VAL   43 - HB    VAL   41   5.66 +/- 1.19   4.860% *  5.8652% (0.65   1.0  1.00   1.33   1.16) =   0.512%  kept
          QD2   LEU   73 - HB    VAL   41   5.73 +/- 3.09  18.975% *  0.0417% (0.31   1.0  1.00   0.02   0.02) =   0.014%
        T QG2   VAL   18 - HB    VAL   41   9.96 +/- 2.30   0.923% *  0.7110% (0.52   1.0 10.00   0.02   0.02) =   0.012%
        T QD2   LEU  104 - HB    VAL   41   7.96 +/- 2.73   2.464% *  0.1841% (0.14   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   31 - HB    VAL   41   7.10 +/- 2.62   5.701% *  0.0564% (0.42   1.0  1.00   0.02   0.02) =   0.006%
          QD1   ILE   19 - HB    VAL   41   8.79 +/- 3.33   6.979% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HB    VAL   41  13.06 +/- 1.12   0.269% *  0.0602% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.96 +/- 2.65   0.282% *  0.0207% (0.15   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 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 4.17, residual support = 74.7:
    * O T QG2   VAL   41 - HB    VAL   41   2.13 +/- 0.01  70.862% * 93.4027% (0.69  10.0 10.00   4.24  76.02) =  97.545%  kept
          QD2   LEU   98 - HB    VAL   41   4.79 +/- 3.06  25.790% *  6.4523% (0.65   1.0  1.00   1.46  22.02) =   2.452%  kept
          QD2   LEU   63 - HB    VAL   41   9.81 +/- 2.98   2.745% *  0.0567% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB    VAL   41  15.64 +/- 5.60   0.603% *  0.0884% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 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 = 3.94, residual support = 76.0:
    * O T HA    VAL   41 - QG2   VAL   41   2.46 +/- 0.47  97.208% * 99.8595% (1.00  10.0 10.00   3.94  76.02) =  99.998%  kept
          HA    HIS  122 - QG2   VAL   41  14.40 +/- 4.28   1.361% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - QG2   VAL   41  11.02 +/- 0.52   1.431% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.24, residual support = 76.0:
    * O T HB    VAL   41 - QG2   VAL   41   2.13 +/- 0.01  76.289% * 99.0830% (0.69  10.0 10.00   4.24  76.02) =  99.980%  kept
          HB3   ASP- 105 - QG2   VAL   41  10.49 +/- 2.68  13.545% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.011%
          HG12  ILE  103 - QG2   VAL   41   7.81 +/- 2.46   2.719% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - QG2   VAL   41   7.72 +/- 2.10   2.760% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - QG2   VAL   41   9.66 +/- 2.55   1.287% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  12.28 +/- 2.18   0.853% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.92 +/- 1.37   0.518% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.79 +/- 2.88   0.167% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41  10.22 +/- 1.79   0.852% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  20.30 +/- 3.38   0.230% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  20.30 +/- 1.63   0.097% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.96 +/- 1.96   0.255% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.77 +/- 2.02   0.193% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  16.21 +/- 2.73   0.234% *  0.0285% (0.20   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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.93, residual support = 74.7:
    * O T QG1   VAL   41 - QG2   VAL   41   2.07 +/- 0.04  49.841% * 86.3953% (1.00  10.0 10.00   3.98  76.02) =  98.255%  kept
          QG1   VAL   43 - QG2   VAL   41   5.00 +/- 0.99   5.458% *  7.2161% (0.95   1.0  1.00   1.77   1.16) =   0.899%  kept
          HG    LEU   31 - QG2   VAL   41   5.73 +/- 2.50  11.393% *  1.2335% (0.61   1.0  1.00   0.47   0.02) =   0.321%  kept
          QD2   LEU   73 - QG2   VAL   41   4.91 +/- 2.56  15.807% *  0.6540% (0.45   1.0  1.00   0.34   0.02) =   0.236%  kept
          QD1   ILE   19 - QG2   VAL   41   7.04 +/- 3.11  12.143% *  0.6473% (0.31   1.0  1.00   0.49   0.02) =   0.179%  kept
        T QG2   VAL   18 - QG2   VAL   41   8.48 +/- 2.16   1.170% *  3.6077% (0.76   1.0 10.00   0.11   0.02) =   0.096%
        T QD2   LEU  104 - QG2   VAL   41   7.02 +/- 2.36   3.552% *  0.1710% (0.20   1.0 10.00   0.02   0.02) =   0.014%
          QG2   THR   46 - QG2   VAL   41  11.21 +/- 0.87   0.343% *  0.0559% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.99 +/- 2.22   0.292% *  0.0192% (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 = 0.864, support = 4.46, residual support = 87.5:
    * O T HB    VAL   42 - HA    VAL   42   2.84 +/- 0.18  59.241% * 89.0340% (0.87  10.0 10.00   4.53  89.71) =  97.502%  kept
          QB    LEU   98 - HA    VAL   42   5.42 +/- 2.53  17.987% *  6.8837% (0.76   1.0  1.00   1.76   0.42) =   2.289%  kept
        T HB2   LYS+ 112 - HA    PHE   55   9.33 +/- 4.28   4.133% *  2.3719% (0.16   1.0 10.00   0.29   1.08) =   0.181%  kept
          HB3   LEU   73 - HA    VAL   42   9.08 +/- 2.87   5.741% *  0.0822% (0.80   1.0  1.00   0.02   0.51) =   0.009%
        T HB2   LYS+ 112 - HA    VAL   42  17.22 +/- 2.66   0.470% *  0.7051% (0.69   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HA    VAL   42   8.86 +/- 2.89   3.038% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HA    VAL   42  12.25 +/- 5.28   2.393% *  0.0460% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   42 - HA    PHE   55  19.23 +/- 3.15   0.436% *  0.2095% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    VAL   42  13.07 +/- 1.80   0.863% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    VAL   42  11.37 +/- 2.21   1.409% *  0.0500% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    VAL   42  13.18 +/- 1.91   0.700% *  0.0947% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  13.74 +/- 2.73   0.618% *  0.0784% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  18.59 +/- 2.67   0.268% *  0.0991% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  15.87 +/- 3.87   0.685% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.34 +/- 2.47   0.378% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  21.27 +/- 3.95   0.361% *  0.0193% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.82 +/- 2.48   0.156% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.52 +/- 2.47   0.265% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  19.40 +/- 3.29   0.238% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.87 +/- 3.02   0.179% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.93 +/- 4.55   0.098% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.84 +/- 4.59   0.081% *  0.0233% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.40 +/- 4.39   0.204% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  30.08 +/- 3.17   0.056% *  0.0185% (0.18   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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.7:
    * O T QG1   VAL   42 - HA    VAL   42   2.69 +/- 0.32  80.916% * 98.1799% (0.97  10.0 10.00   4.00  89.71) =  99.960%  kept
        T QB    ALA   64 - HA    VAL   42   6.84 +/- 1.30   8.516% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.022%
        T QB    ALA   47 - HA    VAL   42  14.27 +/- 0.97   0.582% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QB    ALA   47 - HA    PHE   55  10.37 +/- 1.36   1.659% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   42 - HA    PHE   55  14.48 +/- 2.38   1.182% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+ 112 - HA    PHE   55   9.44 +/- 4.35   5.490% *  0.0164% (0.16   1.0  1.00   0.02   1.08) =   0.001%
        T QB    ALA   64 - HA    PHE   55  13.70 +/- 2.20   1.070% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    VAL   42  16.97 +/- 3.27   0.584% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 89.5:
    * O T QG2   VAL   42 - HA    VAL   42   2.33 +/- 0.41  87.037% * 96.8205% (0.80  10.0 10.00   4.00  89.71) =  99.783%  kept
          QG2   VAL   75 - HA    VAL   42   6.72 +/- 1.40   5.903% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.205%  kept
        T QG2   VAL   42 - HA    PHE   55  15.91 +/- 2.97   4.210% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.011%
          QG2   VAL   75 - HA    PHE   55  15.31 +/- 2.66   2.849% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 4.53, residual support = 89.7:
    * O T HA    VAL   42 - HB    VAL   42   2.84 +/- 0.18  81.344% * 97.9628% (0.87  10.0 10.00   4.53  89.71) =  99.958%  kept
        T HA    PHE   55 - HB2   LYS+ 112   9.33 +/- 4.28   5.600% *  0.3914% (0.35   1.0 10.00   0.02   1.08) =   0.027%
        T HA    VAL   42 - HB2   LYS+ 112  17.22 +/- 2.66   0.632% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HA    PHE   55 - HB    VAL   42  19.23 +/- 3.15   0.579% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLN   17 - HB    VAL   42  11.61 +/- 2.87   1.692% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   8.64 +/- 1.30   3.981% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  14.09 +/- 1.69   1.072% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   LYS+ 112  12.57 +/- 2.25   1.455% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - HB2   LYS+ 112  16.23 +/- 3.25   1.807% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.39 +/- 0.43   0.804% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - HB    VAL   42  17.65 +/- 1.69   0.377% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  19.33 +/- 2.23   0.305% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  29.80 +/- 4.74   0.179% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.75 +/- 3.16   0.174% *  0.0419% (0.37   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 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 = 0.74, support = 5.04, residual support = 123.9:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  54.213% * 65.0202% (0.84  10.0 10.00   4.53  89.71) =  76.841%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.54 +/- 0.19  32.420% * 32.6604% (0.42  10.0 10.00   6.74 237.95) =  23.082%  kept
          QB    ALA   64 - HB    VAL   42   5.24 +/- 1.36  11.521% *  0.2417% (0.17   1.0  1.00   0.36   0.02) =   0.061%
        T QG1   VAL   42 - HB2   LYS+ 112  12.38 +/- 2.24   0.654% *  0.4589% (0.59   1.0 10.00   0.02   0.02) =   0.007%
        T QB    ALA   47 - HB2   LYS+ 112  11.09 +/- 1.83   0.490% *  0.4744% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T QB    ALA   47 - HB    VAL   42  14.54 +/- 0.98   0.180% *  0.6722% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB    VAL   42  16.55 +/- 3.65   0.232% *  0.4628% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB2   LYS+ 112  13.73 +/- 2.29   0.290% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.39, residual support = 89.7:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  95.694% * 99.1635% (0.69  10.0 10.00   4.39  89.71) =  99.991%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  13.52 +/- 2.53   0.771% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - HB    VAL   42   7.15 +/- 0.85   2.903% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HB2   LYS+ 112  14.21 +/- 2.96   0.631% *  0.0565% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.52, residual support = 89.4:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  71.057% * 92.2165% (0.84  10.0 10.00   4.53  89.71) =  99.679%  kept
          HB3   LEU   73 - QG1   VAL   42   7.59 +/- 1.89   5.189% *  2.0947% (0.77   1.0  1.00   0.49   0.51) =   0.165%  kept
          QB    LEU   98 - QG1   VAL   42   6.56 +/- 1.68   3.362% *  2.3319% (0.74   1.0  1.00   0.57   0.42) =   0.119%  kept
        T HB2   LYS+ 112 - QG1   VAL   42  12.38 +/- 2.24   0.864% *  0.7303% (0.66   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   LYS+ 112 - QB    ALA   47  11.09 +/- 1.83   0.649% *  0.6306% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+  65 - QB    ALA   47  12.30 +/- 4.43   2.924% *  0.0796% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HB    VAL   42 - QB    ALA   47  14.54 +/- 0.98   0.236% *  0.7964% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QG1   VAL   42   9.13 +/- 3.96   3.407% *  0.0477% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   42   9.06 +/- 1.58   1.745% *  0.0922% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG1   VAL   42   8.01 +/- 2.13   2.060% *  0.0602% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QG1   VAL   42   8.66 +/- 1.92   1.994% *  0.0517% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QB    ALA   47  14.72 +/- 2.61   1.502% *  0.0520% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QB    ALA   47  11.26 +/- 2.49   1.806% *  0.0283% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  12.06 +/- 1.59   0.474% *  0.0981% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    ALA   47  13.83 +/- 1.93   0.405% *  0.0735% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.16 +/- 2.17   0.410% *  0.0702% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.36 +/- 1.78   0.314% *  0.0812% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.61 +/- 2.24   0.234% *  0.1026% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  12.42 +/- 2.02   0.445% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  13.31 +/- 2.67   0.475% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  21.67 +/- 3.06   0.101% *  0.0886% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.08 +/- 3.12   0.122% *  0.0702% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  17.62 +/- 2.33   0.157% *  0.0412% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.99 +/- 1.82   0.069% *  0.0847% (0.77   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 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 = 0.772, support = 3.99, residual support = 89.5:
    * O T QG2   VAL   42 - QG1   VAL   42   2.07 +/- 0.03  91.263% * 96.1881% (0.77  10.0 10.00   4.00  89.71) =  99.771%  kept
          QG2   VAL   75 - QG1   VAL   42   5.28 +/- 0.77   6.716% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.222%  kept
        T QG2   VAL   42 - QB    ALA   47  12.03 +/- 1.29   0.560% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   75 - QB    ALA   47   8.88 +/- 1.30   1.461% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.73 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 = 0.8, support = 4.0, residual support = 89.7:
    * O T HA    VAL   42 - QG2   VAL   42   2.33 +/- 0.41  89.453% * 99.2010% (0.80  10.0 10.00   4.00  89.71) =  99.969%  kept
        T HA    PHE   55 - QG2   VAL   42  15.91 +/- 2.97   4.360% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.028%
          HA    GLN   17 - QG2   VAL   42  10.83 +/- 2.52   2.484% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG2   VAL   42  11.10 +/- 1.02   1.549% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.42 +/- 1.75   1.067% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG2   VAL   42  14.12 +/- 1.72   0.614% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  15.20 +/- 1.91   0.473% *  0.0276% (0.22   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.38, residual support = 89.4:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  67.315% * 96.1286% (0.69  10.0 10.00   4.39  89.71) =  99.597%  kept
          QB    LEU   98 - QG2   VAL   42   5.69 +/- 2.40   9.896% *  2.4308% (0.61   1.0  1.00   0.57   0.42) =   0.370%  kept
          HB3   LEU   73 - QG2   VAL   42   8.30 +/- 2.39  11.762% *  0.0887% (0.64   1.0  1.00   0.02   0.51) =   0.016%
        T HB2   LYS+ 112 - QG2   VAL   42  13.52 +/- 2.53   0.552% *  0.7612% (0.55   1.0 10.00   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - QG2   VAL   42   9.09 +/- 4.58   4.951% *  0.0497% (0.36   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - QG2   VAL   42   7.75 +/- 2.49   2.189% *  0.0627% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG2   VAL   42  10.39 +/- 1.77   0.917% *  0.0961% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG2   VAL   42  11.49 +/- 1.57   0.558% *  0.1023% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG2   VAL   42   9.95 +/- 1.76   0.899% *  0.0539% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  12.35 +/- 2.61   0.413% *  0.0847% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  15.66 +/- 2.36   0.213% *  0.1069% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.28 +/- 2.88   0.335% *  0.0342% (0.25   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 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 4.0, residual support = 89.6:
    * O T QG1   VAL   42 - QG2   VAL   42   2.07 +/- 0.03  79.157% * 98.5425% (0.77  10.0 10.00   4.00  89.71) =  99.900%  kept
          QB    ALA   64 - QG2   VAL   42   5.24 +/- 1.60  19.710% *  0.3685% (0.16   1.0  1.00   0.36   0.02) =   0.093%
        T QB    ALA   47 - QG2   VAL   42  12.03 +/- 1.29   0.469% *  1.0188% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - QG2   VAL   42  13.35 +/- 3.10   0.664% *  0.0701% (0.55   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.85 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 = 60.8:
    * O T HB    VAL   43 - HA    VAL   43   2.83 +/- 0.19  97.084% * 99.7401% (0.97  10.0 10.00   3.30  60.80) =  99.997%  kept
          HB2   LYS+  99 - HA    VAL   43  12.28 +/- 1.35   1.366% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    VAL   43  16.21 +/- 2.57   0.641% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    VAL   43  14.61 +/- 3.04   0.909% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 0.89, support = 4.45, residual support = 59.8:
    * O T QG1   VAL   43 - HA    VAL   43   2.72 +/- 0.37  57.405% * 95.4174% (0.90  10.0 10.00   4.50  60.80) =  98.161%  kept
          QD2   LEU   73 - HA    VAL   43   4.92 +/- 2.54  24.164% *  4.1982% (0.53   1.0  1.00   1.50   4.69) =   1.818%  kept
          QG1   VAL   41 - HA    VAL   43   7.06 +/- 0.69   4.276% *  0.1055% (0.99   1.0  1.00   0.02   1.16) =   0.008%
          QG2   VAL   18 - HA    VAL   43   8.72 +/- 3.03   2.942% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   43   7.89 +/- 0.86   3.059% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HA    VAL   43  10.03 +/- 2.56   2.156% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   43  10.18 +/- 2.94   3.783% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    VAL   43  12.33 +/- 2.00   0.970% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    VAL   43  10.48 +/- 1.41   1.245% *  0.0164% (0.15   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 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.97, residual support = 59.9:
    * O T QG2   VAL   43 - HA    VAL   43   2.27 +/- 0.33  89.765% * 76.1467% (0.69  10.0 10.00   3.00  60.80) =  98.558%  kept
        T QD2   LEU   31 - HA    VAL   43   8.22 +/- 2.77   4.189% * 23.8225% (0.73   1.0 10.00   0.59   0.02) =   1.439%  kept
          QG2   VAL   83 - HA    VAL   43   9.09 +/- 2.95   6.047% *  0.0308% (0.28   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 5.47 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 = 60.8:
    * O T HA    VAL   43 - HB    VAL   43   2.83 +/- 0.19  94.347% * 99.8083% (0.97  10.0 10.00   3.30  60.80) =  99.997%  kept
          HA    ASN   69 - HB    VAL   43  15.61 +/- 2.16   1.362% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB    VAL   43  13.34 +/- 3.48   1.520% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  11.64 +/- 2.40   2.771% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.866, support = 3.86, residual support = 60.6:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.02  82.306% * 89.9623% (0.87  10.0 10.00   3.87  60.80) =  99.736%  kept
        T QG1   VAL   41 - HB    VAL   43   7.70 +/- 0.88   2.013% *  8.9625% (0.96   1.0 10.00   0.18   1.16) =   0.243%  kept
        T QG2   VAL   18 - HB    VAL   43  10.47 +/- 2.66   0.966% *  0.6890% (0.66   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   73 - HB    VAL   43   6.25 +/- 2.40   8.828% *  0.0528% (0.51   1.0  1.00   0.02   4.69) =   0.006%
        T QD2   LEU  104 - HB    VAL   43  10.09 +/- 1.65   1.015% *  0.1548% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   43   8.55 +/- 1.22   1.950% *  0.0568% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   43  10.56 +/- 2.79   1.118% *  0.0689% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB    VAL   43  12.68 +/- 2.18   0.880% *  0.0279% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.82 +/- 2.85   0.925% *  0.0250% (0.24   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.85, residual support = 60.1:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  90.970% * 71.5908% (0.66  10.0 10.00   2.87  60.80) =  98.767%  kept
        T QD2   LEU   31 - HB    VAL   43   8.71 +/- 2.93   2.858% * 28.3802% (0.70   1.0 10.00   0.75   0.02) =   1.230%  kept
          QG2   VAL   83 - HB    VAL   43   8.12 +/- 3.06   6.172% *  0.0290% (0.27   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.96 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 = 4.5, residual support = 60.8:
    * O T HA    VAL   43 - QG1   VAL   43   2.72 +/- 0.37  93.089% * 99.8083% (0.90  10.0 10.00   4.50  60.80) =  99.996%  kept
          HA    HIS   22 - QG1   VAL   43  11.34 +/- 3.43   2.117% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  13.01 +/- 1.57   1.390% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - QG1   VAL   43   9.70 +/- 2.13   3.405% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 0.865, support = 3.87, residual support = 60.8:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.02  97.659% * 99.7401% (0.87  10.0 10.00   3.87  60.80) =  99.998%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.58 +/- 1.10   1.222% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   43  13.23 +/- 2.57   0.555% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  13.90 +/- 2.89   0.563% *  0.0544% (0.47   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 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 = 0.617, support = 3.89, residual support = 58.9:
    * O T QG2   VAL   43 - QG1   VAL   43   2.06 +/- 0.03  77.989% * 71.2256% (0.62  10.0 10.00   4.00  60.80) =  96.839%  kept
        T QD2   LEU   31 - QG1   VAL   43   7.03 +/- 2.93   6.118% * 28.2355% (0.65   1.0 10.00   0.75   0.02) =   3.012%  kept
          QG2   VAL   83 - QG1   VAL   43   7.05 +/- 2.94  15.893% *  0.5389% (0.25   1.0  1.00   0.37   0.02) =   0.149%  kept
    Distance limit 2.65 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 = 0.661, support = 2.86, residual support = 60.6:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  89.744% * 90.0132% (0.66  10.0 10.00   2.87  60.80) =  99.660%  kept
        T HB    VAL   43 - QD2   LEU   31   8.71 +/- 2.93   2.819% *  9.6849% (0.19   1.0 10.00   0.75   0.02) =   0.337%  kept
          HB2   LYS+  99 - QD2   LEU   31  10.81 +/- 3.27   4.617% *  0.0267% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QG2   VAL   43  10.61 +/- 1.03   0.782% *  0.0931% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  12.70 +/- 2.30   0.541% *  0.0924% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   43  13.62 +/- 2.67   0.477% *  0.0491% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.12 +/- 1.91   0.690% *  0.0141% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  16.94 +/- 4.64   0.330% *  0.0265% (0.20   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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.532, support = 4.28, residual support = 89.0:
    * O T QG1   VAL   43 - QG2   VAL   43   2.06 +/- 0.03  29.827% * 79.0865% (0.62  10.0 10.00   4.00  60.80) =  82.278%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  27.823% * 17.3800% (0.14  10.0 10.00   5.88 230.79) =  16.867%  kept
          QD2   LEU   73 - QG2   VAL   43   4.76 +/- 2.26   9.625% *  1.7398% (0.36   1.0  1.00   0.75   4.69) =   0.584%  kept
          QG1   VAL   41 - QD2   LEU   31   5.05 +/- 2.37   9.615% *  0.5645% (0.20   1.0  1.00   0.45   0.02) =   0.189%  kept
          QD2   LEU   73 - QD2   LEU   31   4.32 +/- 2.07  10.653% *  0.0896% (0.10   1.0  1.00   0.13   2.00) =   0.033%
        T HG    LEU   31 - QG2   VAL   43   8.14 +/- 2.92   1.015% *  0.6057% (0.47   1.0 10.00   0.02   0.02) =   0.021%
        T QG1   VAL   43 - QD2   LEU   31   7.03 +/- 2.93   2.132% *  0.2269% (0.18   1.0 10.00   0.02   0.02) =   0.017%
          QG1   VAL   41 - QG2   VAL   43   6.20 +/- 1.22   1.634% *  0.0874% (0.68   1.0  1.00   0.02   1.16) =   0.005%
          QG2   THR   46 - QG2   VAL   43   7.04 +/- 1.10   1.082% *  0.0499% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - QG2   VAL   43   8.54 +/- 2.51   0.680% *  0.0606% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG2   VAL   43   9.36 +/- 2.63   1.291% *  0.0220% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   31   6.59 +/- 1.12   1.946% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   8.86 +/- 1.41   0.527% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.30 +/- 1.72   0.327% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   8.98 +/- 1.38   0.489% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.01 +/- 3.01   1.050% *  0.0039% (0.03   1.0  1.00   0.02   0.30) =   0.000%
          QG2   THR   46 - QD2   LEU   31  12.10 +/- 1.87   0.176% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.23 +/- 2.07   0.108% *  0.0070% (0.05   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 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 = 2.64, residual support = 39.3:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.79 +/- 0.31  87.784% * 97.1917% (1.00  10.0 10.00   2.64  39.26) =  99.979%  kept
          HB3   PHE   72 - HA    ASP-  44   8.44 +/- 1.60   5.672% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HA    ASP-  44  17.67 +/- 2.37   0.415% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T QG    GLU-  14 - HA    ASP-  44  18.85 +/- 2.84   0.389% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          QG    GLN   90 - HA    ASP-  44  11.55 +/- 1.37   1.586% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    ASP-  44  10.66 +/- 1.97   2.318% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    ASP-  44  23.96 +/- 3.61   0.228% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   92 - HA    ASP-  44  11.86 +/- 0.92   1.263% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.52 +/- 1.75   0.345% *  0.0270% (0.28   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 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.11, residual support = 39.0:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.54 +/- 0.21  80.437% * 75.7129% (1.00  10.0 10.00   4.14  39.26) =  99.248%  kept
        T QB    ALA   84 - HA    ASP-  44   9.88 +/- 1.48   1.697% * 21.7221% (0.80   1.0 10.00   0.72   0.02) =   0.601%  kept
          HB3   PRO   93 - HA    ASP-  44   7.56 +/- 1.02   4.071% *  2.0759% (0.76   1.0  1.00   0.72   0.02) =   0.138%  kept
          HB2   LEU   63 - HA    ASP-  44   8.36 +/- 2.55   6.502% *  0.0742% (0.98   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - HA    ASP-  44  10.44 +/- 2.34   1.811% *  0.0679% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ASP-  44  12.86 +/- 2.86   1.258% *  0.0699% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44  10.30 +/- 2.21   1.690% *  0.0169% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  15.62 +/- 1.97   0.431% *  0.0606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  17.86 +/- 2.45   0.305% *  0.0731% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  16.24 +/- 2.26   0.372% *  0.0550% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.24 +/- 1.30   0.338% *  0.0339% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  13.39 +/- 2.43   0.855% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.63 +/- 1.72   0.233% *  0.0258% (0.34   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 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.3:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.79 +/- 0.31  89.312% * 98.1053% (1.00  10.0 10.00   2.64  39.26) =  99.990%  kept
          HB    THR   77 - HB2   ASP-  44  10.63 +/- 1.91   2.218% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HA    MET   11 - HB2   ASP-  44  25.23 +/- 3.69   0.176% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  14 - HB2   ASP-  44  19.18 +/- 2.37   0.333% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  13.78 +/- 1.42   0.932% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.43 +/- 2.36   1.281% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  15.94 +/- 1.37   0.596% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44  10.60 +/- 3.00   3.259% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   ASP-  44  15.40 +/- 1.40   0.617% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.80 +/- 1.84   0.610% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.76 +/- 1.16   0.473% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.37 +/- 2.66   0.191% *  0.0478% (0.49   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 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 = 2.73, residual support = 39.3:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  92.974% * 99.2040% (1.00  10.0 10.00   2.73  39.26) =  99.994%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.06 +/- 2.42   3.722% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HB2   ASP-  44   8.72 +/- 1.21   0.939% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB2   ASP-  44  11.75 +/- 2.36   0.447% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.13 +/- 1.18   0.397% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  13.52 +/- 2.82   0.313% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.51 +/- 1.66   0.151% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.66 +/- 2.51   0.109% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  17.75 +/- 2.64   0.113% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.52 +/- 2.12   0.326% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.82 +/- 1.81   0.116% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  14.14 +/- 2.89   0.290% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.35 +/- 2.18   0.103% *  0.0338% (0.34   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 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 39.3:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.54 +/- 0.21  90.962% * 99.3093% (1.00  10.0 10.00   4.14  39.26) =  99.994%  kept
          HB    THR   77 - HB3   ASP-  44  10.61 +/- 2.19   1.824% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HB3   ASP-  44  13.69 +/- 2.67   1.184% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  13.81 +/- 1.35   0.619% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   ASP-  44  10.29 +/- 3.03   2.994% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  15.55 +/- 1.60   0.471% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   ASP-  44  15.29 +/- 1.88   0.600% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.01 +/- 1.25   0.432% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.50 +/- 1.19   0.381% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.13 +/- 3.84   0.136% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  20.08 +/- 2.46   0.259% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.28 +/- 2.80   0.138% *  0.0483% (0.49   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 39.3:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  96.342% * 99.4398% (1.00  10.0 10.00   2.73  39.26) =  99.997%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.20 +/- 1.95   1.868% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB3   ASP-  44  10.33 +/- 2.48   0.765% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HB3   ASP-  44  12.79 +/- 1.74   0.320% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  18.06 +/- 2.84   0.127% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  17.08 +/- 2.54   0.121% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.36 +/- 1.38   0.308% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.33 +/- 3.75   0.062% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.64 +/- 1.81   0.088% *  0.0276% (0.28   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 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 = 80.0:
    * O T HB2   PHE   45 - HA    PHE   45   2.88 +/- 0.29  96.792% * 99.8680% (1.00  10.0 10.00   3.31  79.95) =  99.998%  kept
          HB2   CYS   21 - HA    PHE   45  12.61 +/- 4.04   2.405% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 111 - HA    PHE   45  15.76 +/- 1.88   0.802% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    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 = 79.9:
    * O T HB3   PHE   45 - HA    PHE   45   2.64 +/- 0.19  92.483% * 99.6736% (1.00  10.0 10.00   4.00  79.95) =  99.995%  kept
          QE    LYS+ 112 - HA    PHE   45  12.08 +/- 3.41   2.229% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - HA    PHE   45  10.54 +/- 0.77   1.586% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    PHE   45  12.51 +/- 1.38   0.969% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  12.02 +/- 2.92   2.287% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  20.72 +/- 2.42   0.221% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  20.28 +/- 1.79   0.226% *  0.0222% (0.22   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 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HA    PHE   45 - HB2   PHE   45   2.88 +/- 0.29  98.499% * 99.9145% (1.00  10.0 10.00   3.31  79.95) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.66 +/- 0.50   0.990% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  18.66 +/- 2.26   0.511% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 80.0:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  97.200% * 99.6736% (1.00  10.0 10.00   3.31  79.95) =  99.998%  kept
          QE    LYS+ 112 - HB2   PHE   45  10.91 +/- 3.17   0.981% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   8.87 +/- 0.86   0.831% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HB2   PHE   45  11.90 +/- 1.07   0.343% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  12.47 +/- 2.89   0.535% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  22.31 +/- 2.42   0.053% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  21.39 +/- 1.80   0.057% *  0.0222% (0.22   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 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.0:
    * O T HA    PHE   45 - HB3   PHE   45   2.64 +/- 0.19  98.960% * 99.9145% (1.00  10.0 10.00   4.00  79.95) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  14.08 +/- 0.76   0.713% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  19.42 +/- 2.32   0.328% *  0.0249% (0.25   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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.443% * 99.8680% (1.00  10.0 10.00   3.31  79.95) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  14.42 +/- 1.83   0.223% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  14.29 +/- 3.83   0.334% *  0.0375% (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 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 = 2.92, residual support = 34.2:
    * O T HB    THR   46 - HA    THR   46   2.54 +/- 0.16  97.155% * 98.0423% (1.00  10.0 10.00   2.92  34.20) =  99.996%  kept
        T HB    THR   46 - HA    SER   37  25.12 +/- 1.68   0.111% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HA    THR   46  11.94 +/- 2.53   1.464% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  25.49 +/- 3.23   0.146% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    SER   37  19.71 +/- 5.63   0.466% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  18.14 +/- 2.43   0.326% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  24.87 +/- 5.61   0.178% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  28.78 +/- 3.89   0.098% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  32.33 +/- 3.26   0.056% *  0.0384% (0.39   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 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HA    THR   46   3.02 +/- 0.30  71.675% * 97.3989% (1.00  10.0 10.00   3.00  34.20) =  99.969%  kept
          QD1   ILE   19 - HA    SER   37  10.25 +/- 2.72   3.399% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HA    SER   13   8.66 +/- 1.91   5.184% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    THR   46   9.29 +/- 1.04   2.895% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   37  20.87 +/- 1.41   0.234% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - HA    SER   37   8.62 +/- 0.52   3.452% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    THR   46  11.99 +/- 3.77   1.945% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  20.91 +/- 2.51   0.294% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    SER   37  13.33 +/- 3.89   1.443% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    SER   37  14.13 +/- 1.76   0.805% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    SER   13  12.44 +/- 1.37   1.274% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  15.80 +/- 2.80   0.847% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  14.10 +/- 3.01   1.557% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  15.15 +/- 1.52   0.661% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  15.01 +/- 0.74   0.642% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  16.58 +/- 1.55   0.554% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   13  20.03 +/- 4.55   0.509% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.54 +/- 2.33   0.410% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.74 +/- 1.12   1.080% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  16.79 +/- 3.75   0.764% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.57 +/- 1.96   0.377% *  0.0150% (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 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 34.2:
    * O T HA    THR   46 - HB    THR   46   2.54 +/- 0.16  91.014% * 98.0777% (1.00  10.0 10.00   2.92  34.20) =  99.992%  kept
          HA    PRO   58 - HB    THR   46  11.86 +/- 4.12   6.959% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   37 - HB    THR   46  25.12 +/- 1.68   0.104% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  25.49 +/- 3.23   0.137% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    THR   46  17.53 +/- 4.69   0.445% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  12.82 +/- 1.11   0.820% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  20.96 +/- 3.88   0.255% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.54 +/- 1.39   0.266% *  0.0440% (0.45   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 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 = 34.2:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  95.647% * 99.5878% (1.00  10.0 10.00   3.00  34.20) =  99.996%  kept
          QG1   VAL   43 - HB    THR   46   9.23 +/- 1.31   1.628% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB    THR   46  10.96 +/- 4.16   1.315% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    THR   46  14.84 +/- 3.21   0.625% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB    THR   46  14.51 +/- 1.35   0.344% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  16.61 +/- 1.67   0.237% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.95 +/- 2.63   0.204% *  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 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HA    THR   46 - QG2   THR   46   3.02 +/- 0.30  80.576% * 98.0777% (1.00  10.0 10.00   3.00  34.20) =  99.980%  kept
          HA    PRO   58 - QG2   THR   46  10.45 +/- 3.63  14.521% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.011%
        T HA    SER   37 - QG2   THR   46  20.87 +/- 1.41   0.262% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   13 - QG2   THR   46  20.91 +/- 2.51   0.333% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   42 - QG2   THR   46  10.84 +/- 1.08   2.027% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   THR   46  14.56 +/- 3.81   1.043% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QG2   THR   46  17.28 +/- 3.18   0.588% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  15.54 +/- 1.18   0.649% *  0.0440% (0.45   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 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  98.162% * 99.8459% (1.00  10.0 10.00   3.00  34.20) =  99.999%  kept
          HA    LYS+ 112 - QG2   THR   46  11.72 +/- 2.84   1.490% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  15.38 +/- 2.37   0.347% *  0.0895% (0.90   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 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 = 10.8:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.02  98.193% * 99.0048% (0.95  10.0 10.00   2.00  10.78) =  99.994%  kept
        T QG1   VAL   42 - HA    ALA   47  12.27 +/- 0.84   0.541% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HA    ALA   47  14.49 +/- 3.34   0.605% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  12.27 +/- 1.92   0.660% *  0.0323% (0.31   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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.93, support = 2.02, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.02  62.527% * 89.8034% (0.95  10.0 10.00   2.00  10.78) =  97.049%  kept
          HA    CYS   50 - QB    ALA   47   3.23 +/- 0.86  27.287% *  5.3677% (0.42   1.0  1.00   2.67   6.94) =   2.532%  kept
          HA    TRP   49 - QB    ALA   47   4.64 +/- 0.22   6.199% *  3.8459% (0.26   1.0  1.00   3.08  16.04) =   0.412%  kept
        T HA    ALA   47 - QG1   VAL   42  12.27 +/- 0.84   0.348% *  0.6878% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  108 - QB    ALA   47  11.02 +/- 2.14   0.829% *  0.0880% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QG1   VAL   42  10.47 +/- 1.69   0.619% *  0.0674% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  12.03 +/- 2.76   0.573% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.48 +/- 1.16   0.265% *  0.0308% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.71 +/- 1.82   0.264% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.28 +/- 2.38   0.674% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  16.14 +/- 1.93   0.225% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  16.04 +/- 2.36   0.191% *  0.0139% (0.15   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 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 = 1.7, residual support = 9.19:
    * O T QB    SER   48 - HA    SER   48   2.31 +/- 0.08  81.363% * 96.0221% (1.00  10.0 10.00   1.70   9.19) =  99.964%  kept
        T QB    SER   85 - HB2   SER   82   5.61 +/- 0.46   6.054% *  0.2561% (0.27   1.0 10.00   0.02   2.87) =   0.020%
        T QB    SER   48 - HB2   SER   82  14.29 +/- 3.83   0.760% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER   85 - HA    SER   48  15.17 +/- 3.01   0.474% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - HA    SER   48   9.38 +/- 0.84   1.289% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    SER   48  19.69 +/- 2.75   0.172% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.24 +/- 1.51   0.662% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HB2   SER   82  23.52 +/- 3.75   0.190% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  16.04 +/- 5.45   1.003% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  20.25 +/- 3.10   0.221% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  25.40 +/- 4.43   0.080% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  16.97 +/- 3.18   0.315% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    VAL   70   9.55 +/- 3.05   1.904% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.94 +/- 1.62   0.328% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.52 +/- 5.17   0.622% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.35 +/- 1.78   0.095% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.91 +/- 0.73   1.082% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  23.90 +/- 3.49   0.128% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.18 +/- 2.87   0.687% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  16.15 +/- 4.88   0.476% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  25.23 +/- 2.97   0.079% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.89 +/- 4.21   0.141% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.48 +/- 1.39   0.237% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  29.08 +/- 4.39   0.109% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.48 +/- 2.16   1.033% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  23.47 +/- 4.33   0.153% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  29.05 +/- 3.90   0.064% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  22.28 +/- 3.37   0.111% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  29.02 +/- 4.18   0.049% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  21.91 +/- 3.05   0.117% *  0.0065% (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 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 = 0.993, support = 4.11, residual support = 76.0:
    * O T HB2   TRP   49 - HA    TRP   49   2.52 +/- 0.13  83.415% * 50.9151% (1.00  10.0 10.00   4.23  85.99) =  87.677%  kept
        T HB2   TRP   49 - HA    CYS   50   5.12 +/- 0.56  12.428% * 47.9899% (0.94   1.0 10.00   3.26   4.62) =  12.312%  kept
        T HA2   GLY  109 - HA    CYS   50  16.07 +/- 4.03   0.755% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.006%
        T HA2   GLY  109 - HA    TRP   49  19.31 +/- 3.94   0.299% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   84 - HA    CYS   50  15.05 +/- 2.82   0.552% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HA    CYS   50  16.98 +/- 2.38   0.496% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  16.18 +/- 2.52   0.432% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  18.73 +/- 2.44   0.258% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  21.18 +/- 2.71   0.196% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  22.89 +/- 2.78   0.137% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.96 +/- 2.37   0.655% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.81 +/- 1.89   0.378% *  0.0069% (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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 4.16, residual support = 79.7:
    * O T HB3   TRP   49 - HA    TRP   49   2.40 +/- 0.20  90.506% * 51.4295% (0.84  10.0 10.00   4.23  85.99) =  92.317%  kept
        T HB3   TRP   49 - HA    CYS   50   5.91 +/- 0.48   7.990% * 48.4748% (0.79   1.0 10.00   3.36   4.62) =   7.681%  kept
          HB3   PHE   59 - HA    CYS   50  11.71 +/- 1.75   0.990% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  15.89 +/- 1.99   0.515% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 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 = 0.993, support = 4.11, residual support = 75.9:
    * O T HA    TRP   49 - HB2   TRP   49   2.52 +/- 0.13  82.462% * 51.0809% (1.00  10.0 10.00   4.23  85.99) =  87.642%  kept
        T HA    CYS   50 - HB2   TRP   49   5.12 +/- 0.56  12.285% * 48.3205% (0.95   1.0 10.00   3.26   4.62) =  12.351%  kept
        T HA1   GLY  109 - HB2   TRP   49  18.09 +/- 4.37   0.487% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA   47 - HB2   TRP   49   7.07 +/- 0.31   3.831% *  0.0142% (0.28   1.0  1.00   0.02  16.04) =   0.001%
          HA    LYS+ 102 - HB2   TRP   49  28.74 +/- 4.83   0.225% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  22.50 +/- 2.42   0.133% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.59 +/- 3.51   0.576% *  0.0101% (0.20   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 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 = 3.12, residual support = 86.0:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.834% * 99.9042% (0.84  10.0 10.00   3.12  85.99) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  15.81 +/- 1.81   0.166% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.832, support = 4.16, residual support = 79.7:
    * O T HA    TRP   49 - HB3   TRP   49   2.40 +/- 0.20  86.415% * 51.3085% (0.84  10.0 10.00   4.23  85.99) =  92.301%  kept
        T HA    CYS   50 - HB3   TRP   49   5.91 +/- 0.48   7.617% * 48.5358% (0.79   1.0 10.00   3.36   4.62) =   7.697%  kept
          HA    ALA   47 - HB3   TRP   49   6.60 +/- 0.43   4.764% *  0.0143% (0.23   1.0  1.00   0.02  16.04) =   0.001%
          HA1   GLY  109 - HB3   TRP   49  18.49 +/- 4.11   0.392% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  22.17 +/- 2.82   0.150% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  28.64 +/- 4.86   0.196% *  0.0332% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.85 +/- 3.32   0.465% *  0.0102% (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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 86.0:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.429% * 99.6151% (0.84  10.0 10.00   3.12  85.99) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  15.96 +/- 2.60   0.180% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  18.93 +/- 3.80   0.130% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  21.75 +/- 2.78   0.073% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  23.20 +/- 2.87   0.053% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.38 +/- 1.64   0.134% *  0.0135% (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 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 = 0.993, support = 1.87, residual support = 7.14:
    * O T QB    CYS   50 - HA    CYS   50   2.30 +/- 0.14  78.948% * 51.3514% (1.00  10.0 10.00   1.71   7.49) =  87.819%  kept
        T QB    CYS   50 - HA    TRP   49   4.54 +/- 0.31  11.613% * 48.4012% (0.94   1.0 10.00   3.06   4.62) =  12.176%  kept
          HB3   ASP-  78 - HA    CYS   50  12.61 +/- 5.10   6.014% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    CYS   50  12.55 +/- 3.43   0.834% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    TRP   49  14.12 +/- 3.90   0.706% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  12.38 +/- 5.29   1.292% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  22.90 +/- 3.85   0.123% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  25.88 +/- 5.37   0.126% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.56 +/- 2.16   0.205% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.20 +/- 2.09   0.140% *  0.0165% (0.32   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 1.87, residual support = 7.14:
    * O T HA    CYS   50 - QB    CYS   50   2.30 +/- 0.14  78.180% * 50.1632% (1.00  10.0 10.00   1.71   7.49) =  87.562%  kept
        T HA    TRP   49 - QB    CYS   50   4.54 +/- 0.31  11.474% * 47.4523% (0.95   1.0 10.00   3.06   4.62) =  12.157%  kept
          HA    ALA   47 - QB    CYS   50   5.80 +/- 0.51   5.531% *  2.2547% (0.45   1.0  1.00   2.01   6.94) =   0.278%  kept
          HA    VAL  108 - QB    CYS   50  14.34 +/- 3.13   3.680% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    CYS   50  15.37 +/- 3.63   0.773% *  0.0501% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    CYS   50  17.47 +/- 2.31   0.205% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.62 +/- 3.19   0.157% *  0.0225% (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 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 = 223.1:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  83.527% * 99.8323% (1.00  10.0 10.00   7.05 223.15) =  99.993%  kept
          HA    LYS+ 111 - HD2   PRO   52  13.52 +/- 4.06   3.993% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HD2   PRO   52  12.04 +/- 4.07   8.221% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HD2   PRO   52  16.43 +/- 3.39   3.781% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HD2   PRO   52  23.41 +/- 2.39   0.477% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 223.1:
    * O T HB2   PRO   52 - HD2   PRO   52   3.93 +/- 0.09  94.913% * 99.5699% (1.00  10.0 10.00   6.60 223.15) =  99.992%  kept
        T HG2   MET   96 - HD2   PRO   52  19.06 +/- 2.81   1.343% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ASP-  62 - HD2   PRO   52  14.71 +/- 3.23   3.744% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.33 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 = 0.997, support = 6.64, residual support = 222.2:
    * O T HB3   PRO   52 - HD2   PRO   52   3.96 +/- 0.09  61.640% * 96.3040% (1.00  10.0 10.00   6.67 223.15) =  99.572%  kept
          HG2   ARG+  54 - HD2   PRO   52   7.11 +/- 0.65  11.681% *  1.9505% (0.38   1.0  1.00   1.08   1.92) =   0.382%  kept
        T HG    LEU  123 - HD2   PRO   52  20.95 +/- 4.70   1.662% *  0.9630% (1.00   1.0 10.00   0.02   0.02) =   0.027%
          HG2   PRO   93 - HD2   PRO   52   9.14 +/- 3.24  14.625% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.007%
        T QB    LYS+  81 - HD2   PRO   52  15.65 +/- 3.09   1.756% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HD2   PRO   52  16.21 +/- 3.98   2.929% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  33 - HD2   PRO   52  26.45 +/- 2.73   0.244% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  22.65 +/- 5.38   1.211% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  22.54 +/- 2.81   0.469% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   52  15.31 +/- 3.68   1.954% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  22.74 +/- 1.63   0.347% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.86 +/- 3.57   0.569% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.91 +/- 3.25   0.557% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  24.85 +/- 3.22   0.355% *  0.0149% (0.15   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 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.1:
    * O T HG2   PRO   52 - HD2   PRO   52   2.36 +/- 0.17  92.193% * 99.6094% (1.00  10.0 10.00   6.45 223.15) =  99.995%  kept
          HG2   MET   92 - HD2   PRO   52   9.87 +/- 4.27   5.452% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HD2   PRO   52  15.93 +/- 4.16   0.893% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.93 +/- 3.32   0.867% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD2   PRO   52  14.10 +/- 1.25   0.492% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  28.78 +/- 3.59   0.065% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.29 +/- 3.30   0.038% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 223.1:
    * O T HG3   PRO   52 - HD2   PRO   52   2.81 +/- 0.17  93.437% * 98.5427% (1.00  10.0 10.00   6.45 223.15) =  99.987%  kept
        T HG2   PRO   58 - HD2   PRO   52  13.04 +/- 0.85   0.983% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.011%
          HB2   PRO   93 - HD2   PRO   52   9.35 +/- 2.55   4.421% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLN   32 - HD2   PRO   52  26.89 +/- 2.72   0.135% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  23.60 +/- 5.48   0.621% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.62 +/- 3.75   0.104% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  35.93 +/- 6.20   0.073% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  23.11 +/- 3.77   0.226% *  0.0152% (0.15   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 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 = 5.23, residual support = 223.1:
    * O T HB2   PRO   52 - HA    PRO   52   2.56 +/- 0.21  98.761% * 99.5699% (1.00  10.0 10.00   5.23 223.15) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  20.28 +/- 2.63   0.236% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  14.36 +/- 2.66   1.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 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 = 6.19, residual support = 223.1:
    * O T HB3   PRO   52 - HA    PRO   52   2.47 +/- 0.21  78.230% * 99.2796% (1.00  10.0 10.00   6.19 223.15) =  99.989%  kept
          HG2   ARG+  54 - HA    PRO   52   5.51 +/- 1.28  15.106% *  0.0373% (0.38   1.0  1.00   0.02   1.92) =   0.007%
          HG2   PRO   93 - HA    PRO   52   9.97 +/- 4.12   3.116% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    PRO   52  16.38 +/- 3.41   0.977% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   52  19.32 +/- 4.66   0.500% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    PRO   52  18.07 +/- 3.34   0.321% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    PRO   52  22.73 +/- 5.24   0.711% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.67 +/- 2.57   0.120% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.86 +/- 2.30   0.120% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  21.00 +/- 3.51   0.189% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  17.50 +/- 3.64   0.303% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.80 +/- 3.15   0.123% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.48 +/- 3.40   0.093% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.62 +/- 2.87   0.094% *  0.0153% (0.15   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 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.1:
    * O T HG2   PRO   52 - HA    PRO   52   3.96 +/- 0.03  74.774% * 99.6094% (1.00  10.0 10.00   5.98 223.15) =  99.979%  kept
          HG2   MET   92 - HA    PRO   52  11.40 +/- 5.01  16.301% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.014%
          QG    GLU- 114 - HA    PRO   52  13.16 +/- 3.23   3.473% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    PRO   52  18.50 +/- 4.73   2.622% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   58 - HA    PRO   52  12.88 +/- 1.16   2.416% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  30.85 +/- 4.36   0.251% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.15 +/- 4.29   0.162% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.27 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 223.0:
    * O T HG3   PRO   52 - HA    PRO   52   3.89 +/- 0.03  85.202% * 98.7160% (1.00  10.0 10.00   5.95 223.15) =  99.952%  kept
        T HG2   PRO   58 - HA    PRO   52  11.37 +/- 0.98   3.729% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.044%
          HB2   PRO   93 - HA    PRO   52  10.46 +/- 3.03   7.829% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   68 - HA    PRO   52  23.79 +/- 5.41   1.963% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  30.69 +/- 4.09   0.222% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.25 +/- 6.61   0.150% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  25.33 +/- 4.39   0.548% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.11 +/- 3.31   0.357% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.68 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 223.1:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  87.622% * 99.4673% (1.00  10.0 10.00   7.05 223.15) =  99.992%  kept
          HA    SER   48 - HA    PRO   52  11.78 +/- 1.15   3.829% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HA    PRO   52  20.10 +/- 3.69   1.646% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HA    PRO   52  18.77 +/- 2.99   1.134% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  19.65 +/- 3.25   1.095% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    PRO   52  18.65 +/- 3.68   1.898% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.16 +/- 3.95   0.353% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.36 +/- 4.49   0.844% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  22.46 +/- 3.29   0.624% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  27.85 +/- 3.90   0.344% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.62 +/- 3.77   0.355% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.95 +/- 3.86   0.255% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.67 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 223.1:
    * O T HA    PRO   52 - HB2   PRO   52   2.56 +/- 0.21  88.209% * 99.4915% (1.00  10.0 10.00   5.23 223.15) =  99.995%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.50 +/- 5.38   3.499% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB2   PRO   52  12.81 +/- 5.00   2.801% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - HG2   MET   96  20.28 +/- 2.63   0.211% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   PRO   52  15.19 +/- 4.10   0.822% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   8.63 +/- 0.97   2.654% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  14.98 +/- 3.55   0.665% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.44 +/- 3.47   0.151% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.98 +/- 1.37   0.397% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.60 +/- 1.67   0.591% *  0.0090% (0.09   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 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 = 0.998, support = 6.43, residual support = 222.4:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  74.216% * 96.6230% (1.00  10.0 10.00   6.45 223.15) =  99.676%  kept
          HG12  ILE  103 - HG2   MET   96   4.15 +/- 1.11  10.363% *  2.2116% (0.26   1.0  1.00   1.74   6.76) =   0.319%  kept
          HG2   PRO   93 - HB2   PRO   52   8.58 +/- 4.84   6.430% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HB2   PRO   52   7.61 +/- 1.14   1.187% *  0.0363% (0.38   1.0  1.00   0.02   1.92) =   0.001%
          HB    ILE  103 - HG2   MET   96   5.70 +/- 0.86   2.951% *  0.0117% (0.12   1.0  1.00   0.02   6.76) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.32 +/- 3.72   0.185% *  0.1491% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.37 +/- 3.03   0.075% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   9.19 +/- 2.12   0.791% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  19.08 +/- 4.80   0.149% *  0.0966% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  16.12 +/- 3.24   0.261% *  0.0438% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   7.66 +/- 0.80   0.991% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  16.47 +/- 2.97   0.161% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  22.60 +/- 4.58   0.098% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.78 +/- 1.23   0.908% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.55 +/- 3.10   0.041% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  16.23 +/- 4.15   0.155% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.04 +/- 2.57   0.037% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.98 +/- 4.00   0.072% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.10 +/- 2.16   0.120% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  19.53 +/- 2.95   0.065% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.61 +/- 1.29   0.191% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.62 +/- 3.74   0.041% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  13.59 +/- 2.16   0.211% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.61 +/- 2.87   0.080% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.22 +/- 3.08   0.067% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  16.79 +/- 2.46   0.099% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.95 +/- 3.69   0.027% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.69 +/- 3.39   0.032% *  0.0149% (0.15   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 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.17, residual support = 223.0:
    * O T HG2   PRO   52 - HB2   PRO   52   2.62 +/- 0.31  72.618% * 98.9935% (1.00  10.0 10.00   6.18 223.15) =  99.918%  kept
          HG2   MET   92 - HB2   PRO   52  10.25 +/- 5.75  19.520% *  0.2776% (0.65   1.0  1.00   0.09   0.02) =   0.075%
          QG    GLU- 114 - HB2   PRO   52  12.12 +/- 4.20   2.233% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   52 - HG2   MET   96  18.27 +/- 3.22   0.422% *  0.2908% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HB2   PRO   52  17.79 +/- 5.18   1.390% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HG2   MET   96  12.04 +/- 1.28   1.013% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.37 +/- 2.76   0.598% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.35 +/- 1.47   0.706% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.44 +/- 1.53   0.552% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  30.27 +/- 4.61   0.100% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  21.94 +/- 4.19   0.217% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  33.58 +/- 4.29   0.050% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  21.91 +/- 2.86   0.155% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.35 +/- 3.34   0.426% *  0.0045% (0.05   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 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.1:
    * O T HG3   PRO   52 - HB2   PRO   52   2.55 +/- 0.25  87.343% * 98.0617% (1.00  10.0 10.00   6.15 223.15) =  99.982%  kept
        T HG2   PRO   58 - HB2   PRO   52  11.85 +/- 1.39   1.072% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.012%
          HB2   PRO   93 - HB2   PRO   52   9.18 +/- 3.84   7.649% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   58 - HG2   MET   96  18.39 +/- 3.13   0.306% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  19.40 +/- 3.44   0.278% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB2   PRO   52  23.61 +/- 4.81   0.277% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.25 +/- 1.25   0.961% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  30.57 +/- 3.70   0.064% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.68 +/- 3.80   0.190% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.04 +/- 2.89   0.399% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  37.19 +/- 5.99   0.041% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  16.59 +/- 4.91   0.625% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  24.57 +/- 4.76   0.177% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  29.97 +/- 5.02   0.091% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  16.78 +/- 3.31   0.430% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.48 +/- 3.47   0.097% *  0.0194% (0.20   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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 223.1:
    * O T HD2   PRO   52 - HB2   PRO   52   3.93 +/- 0.09  72.981% * 99.0230% (1.00  10.0 10.00   6.60 223.15) =  99.984%  kept
        T HD2   PRO   52 - HG2   MET   96  19.06 +/- 2.81   1.030% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   48 - HB2   PRO   52  11.75 +/- 1.37   3.104% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HB2   PRO   52  18.76 +/- 3.84   1.493% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   MET   96  12.34 +/- 3.14   3.614% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  18.57 +/- 3.38   1.058% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  18.70 +/- 2.84   0.882% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   MET   96  13.84 +/- 3.05   2.245% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  17.81 +/- 3.89   1.135% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.35 +/- 4.73   0.920% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  18.24 +/- 4.05   1.575% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  18.40 +/- 2.83   1.328% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  16.28 +/- 2.73   1.666% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.40 +/- 4.01   0.268% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  22.17 +/- 3.11   0.489% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  27.73 +/- 3.52   0.253% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  16.14 +/- 2.80   1.275% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.98 +/- 3.50   1.031% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  21.42 +/- 3.11   0.543% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.96 +/- 3.99   0.292% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  18.79 +/- 3.61   0.899% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.77 +/- 3.13   1.014% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  19.41 +/- 2.81   0.707% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.32 +/- 4.00   0.199% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 6.19, residual support = 223.1:
    * O T HA    PRO   52 - HB3   PRO   52   2.47 +/- 0.21  89.118% * 99.6990% (1.00  10.0 10.00   6.19 223.15) =  99.996%  kept
          HA    LYS+ 111 - HB3   PRO   52  11.28 +/- 4.84   2.677% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52  12.46 +/- 4.66   1.702% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  18.07 +/- 3.34   0.362% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  15.36 +/- 3.62   0.828% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.93 +/- 3.07   2.932% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  19.05 +/- 4.76   1.064% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  24.97 +/- 2.77   0.146% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  17.59 +/- 5.69   0.586% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.19 +/- 3.14   0.586% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.1:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  98.846% * 99.4073% (1.00  10.0 10.00   6.45 223.15) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  19.37 +/- 3.03   0.099% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.32 +/- 3.72   0.246% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  14.88 +/- 3.06   0.304% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  16.12 +/- 3.24   0.344% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  19.57 +/- 3.61   0.161% *  0.0065% (0.06   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 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 = 0.999, support = 6.21, residual support = 222.9:
    * O T HG2   PRO   52 - HB3   PRO   52   2.63 +/- 0.33  63.592% * 99.1991% (1.00  10.0 10.00   6.21 223.15) =  99.905%  kept
          HG2   MET   92 - HB3   PRO   52   9.95 +/- 5.37  18.448% *  0.3019% (0.65   1.0  1.00   0.09   0.02) =   0.088%
          QG    GLU- 114 - HB3   PRO   52  12.13 +/- 3.59   1.348% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HB3   PRO   52  18.01 +/- 5.09   1.163% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - QB    LYS+  81  15.64 +/- 3.43   0.676% *  0.1138% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QB    LYS+  81  12.91 +/- 3.87   7.839% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    LYS+  81   7.10 +/- 0.74   4.131% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - QB    LYS+  81  20.93 +/- 4.67   1.120% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.72 +/- 1.43   0.487% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  30.69 +/- 4.15   0.056% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  17.72 +/- 3.87   0.621% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  19.76 +/- 6.79   0.414% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.23 +/- 3.62   0.035% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  28.44 +/- 4.44   0.071% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 222.5:
    * O T HG3   PRO   52 - HB3   PRO   52   2.57 +/- 0.27  88.749% * 92.5822% (1.00  10.0 10.00   6.19 223.15) =  99.727%  kept
        T HB2   PRO   93 - HB3   PRO   52   9.47 +/- 2.89   3.525% *  5.9977% (0.31   1.0 10.00   0.42   0.02) =   0.257%  kept
        T HG2   PRO   58 - HB3   PRO   52  12.14 +/- 1.36   1.213% *  0.9258% (1.00   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   PRO   58 - QB    LYS+  81  21.02 +/- 4.19   1.137% *  0.1062% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - QB    LYS+  81  16.22 +/- 3.74   0.667% *  0.1062% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB3   PRO   52  24.34 +/- 4.86   0.358% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  31.26 +/- 3.46   0.065% *  0.0918% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  14.67 +/- 7.15   2.625% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.87 +/- 5.87   0.044% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  24.96 +/- 4.39   0.196% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.05 +/- 1.63   0.727% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.98 +/- 2.87   0.103% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  26.45 +/- 3.38   0.103% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  31.31 +/- 5.67   0.080% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  21.16 +/- 5.41   0.275% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.95 +/- 3.21   0.135% *  0.0040% (0.04   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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 6.65, residual support = 222.3:
    * O T HD2   PRO   52 - HB3   PRO   52   3.96 +/- 0.09  41.393% * 97.2472% (1.00  10.0 10.00   6.67 223.15) =  99.589%  kept
          HB2   SER   82 - QB    LYS+  81   5.08 +/- 0.51  21.073% *  0.7478% (0.04   1.0  1.00   3.93  13.27) =   0.390%  kept
          HA    SER   48 - HB3   PRO   52  11.84 +/- 1.17   1.836% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - QB    LYS+  81  15.65 +/- 3.09   1.078% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HB3   PRO   52  30.97 +/- 3.45   0.123% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HB3   PRO   52  18.64 +/- 3.67   1.252% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - QB    LYS+  81   5.73 +/- 0.61  15.289% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - QB    LYS+  81  12.41 +/- 4.03   8.056% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   PRO   52  18.43 +/- 3.34   0.718% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  24.15 +/- 5.84   0.301% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  30.51 +/- 3.33   0.130% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   9.94 +/- 1.36   3.018% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  19.28 +/- 3.02   0.470% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PRO   52  22.27 +/- 4.85   0.692% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   PRO   52  18.52 +/- 4.05   0.991% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.94 +/- 3.28   0.099% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  22.27 +/- 5.93   0.415% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  22.83 +/- 2.90   0.251% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  28.48 +/- 3.33   0.130% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  25.46 +/- 4.91   0.217% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  18.84 +/- 3.23   0.524% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  24.45 +/- 4.78   1.411% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  20.05 +/- 3.70   0.376% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.04 +/- 3.24   0.160% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.50 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.1:
    * O T HA    PRO   52 - HG2   PRO   52   3.96 +/- 0.03  75.296% * 99.8323% (1.00  10.0 10.00   5.98 223.15) =  99.988%  kept
          HA    ALA   91 - HG2   PRO   52  11.13 +/- 4.71  14.096% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HA    LYS+ 111 - HG2   PRO   52  11.93 +/- 4.63   6.231% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL  107 - HG2   PRO   52  15.05 +/- 3.74   3.937% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   52  23.50 +/- 2.75   0.440% *  0.0525% (0.53   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 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.1:
    * O T HB2   PRO   52 - HG2   PRO   52   2.62 +/- 0.31  98.177% * 99.5699% (1.00  10.0 10.00   6.18 223.15) =  99.997%  kept
        T HG2   MET   96 - HG2   PRO   52  18.27 +/- 3.22   0.557% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  62 - HG2   PRO   52  14.69 +/- 3.14   1.266% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 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 = 6.21, residual support = 223.1:
    * O T HB3   PRO   52 - HG2   PRO   52   2.63 +/- 0.33  79.666% * 99.2796% (1.00  10.0 10.00   6.21 223.15) =  99.990%  kept
          HG2   PRO   93 - HG2   PRO   52   8.02 +/- 3.70  12.821% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG2   PRO   52  15.64 +/- 3.43   0.968% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG2   PRO   52   8.32 +/- 0.83   3.001% *  0.0373% (0.38   1.0  1.00   0.02   1.92) =   0.001%
          HG    LEU  123 - HG2   PRO   52  20.10 +/- 4.69   0.504% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   52  16.55 +/- 3.28   0.574% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  14.52 +/- 3.96   1.151% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.82 +/- 3.02   0.188% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  22.77 +/- 4.73   0.290% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.42 +/- 2.05   0.163% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.93 +/- 3.54   0.246% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.00 +/- 3.69   0.183% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.44 +/- 3.01   0.109% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.21 +/- 3.34   0.138% *  0.0153% (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 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 = 5.97, residual support = 223.1:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  97.324% * 98.7160% (1.00  10.0 10.00   5.97 223.15) =  99.996%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.82 +/- 0.94   0.265% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HG2   PRO   52   8.43 +/- 2.96   2.182% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HG2   PRO   52  23.73 +/- 4.83   0.099% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  30.14 +/- 3.37   0.023% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  36.62 +/- 5.71   0.015% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  23.25 +/- 4.14   0.060% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.82 +/- 2.86   0.032% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.1:
    * O T HD2   PRO   52 - HG2   PRO   52   2.36 +/- 0.17  95.690% * 99.4673% (1.00  10.0 10.00   6.45 223.15) =  99.997%  kept
          HA    SER   48 - HG2   PRO   52   9.73 +/- 1.24   1.616% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   PRO   52  17.16 +/- 3.73   0.823% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   PRO   52  16.97 +/- 3.19   0.418% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  18.30 +/- 3.09   0.325% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.50 +/- 4.48   0.346% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  19.16 +/- 3.95   0.386% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.75 +/- 3.33   0.061% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  21.76 +/- 2.78   0.149% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  27.67 +/- 3.07   0.070% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  29.11 +/- 3.25   0.066% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.78 +/- 3.20   0.051% *  0.0153% (0.15   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 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 223.0:
    * O T HA    PRO   52 - HG3   PRO   52   3.89 +/- 0.03  69.230% * 98.8988% (1.00  10.0 10.00   5.95 223.15) =  99.949%  kept
        T HA    PRO   52 - HG2   PRO   58  11.37 +/- 0.98   3.042% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.036%
          HA    LYS+ 111 - HG3   PRO   52  12.52 +/- 5.14   6.282% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - HG3   PRO   52  11.74 +/- 5.09  11.390% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+ 111 - HG2   PRO   58  14.25 +/- 2.45   2.302% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  107 - HG3   PRO   52  16.01 +/- 4.20   4.077% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   58  14.92 +/- 3.29   2.011% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.02 +/- 2.81   0.554% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  24.57 +/- 3.20   0.381% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  19.03 +/- 2.83   0.732% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.19 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.1:
    * O T HB2   PRO   52 - HG3   PRO   52   2.55 +/- 0.25  87.487% * 98.4337% (1.00  10.0 10.00   6.15 223.15) =  99.982%  kept
        T HB2   PRO   52 - HG2   PRO   58  11.85 +/- 1.39   1.075% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HB2   ASP-  62 - HG2   PRO   58   6.75 +/- 1.53   9.870% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   MET   96 - HG3   PRO   52  19.40 +/- 3.44   0.278% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  18.39 +/- 3.13   0.307% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  15.81 +/- 3.68   0.984% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 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 = 0.999, support = 6.18, residual support = 222.9:
    * O T HB3   PRO   52 - HG3   PRO   52   2.57 +/- 0.27  65.748% * 97.4419% (1.00  10.0 10.00   6.19 223.15) =  99.886%  kept
        T HG2   PRO   93 - HG3   PRO   52   8.85 +/- 4.13  18.888% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.089%
        T HB3   PRO   52 - HG2   PRO   58  12.14 +/- 1.36   0.835% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   PRO   93 - HG2   PRO   58  13.43 +/- 3.62   0.895% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HG2   PRO   58  11.65 +/- 3.42   2.077% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HG2   PRO   58  21.02 +/- 4.19   0.874% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG3   PRO   52   8.67 +/- 0.92   2.160% *  0.0366% (0.38   1.0  1.00   0.02   1.92) =   0.001%
        T QB    LYS+  81 - HG3   PRO   52  16.22 +/- 3.74   0.484% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.15 +/- 1.49   1.921% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  11.37 +/- 2.65   1.104% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HG3   PRO   52  20.96 +/- 4.97   0.356% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG3   PRO   52  17.45 +/- 3.59   0.559% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.41 +/- 4.92   1.090% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  20.90 +/- 3.25   0.211% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  23.77 +/- 4.96   0.281% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.93 +/- 3.14   0.135% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  19.95 +/- 2.23   0.183% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.17 +/- 2.75   0.296% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  15.21 +/- 4.36   0.539% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.58 +/- 2.15   0.091% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.06 +/- 3.91   0.162% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.00 +/- 3.97   0.190% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.05 +/- 3.59   0.166% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.10 +/- 3.52   0.328% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.03 +/- 3.32   0.117% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.38 +/- 3.44   0.143% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.44 +/- 3.21   0.067% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.14 +/- 3.51   0.102% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.963, support = 5.9, residual support = 220.0:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  65.874% * 86.8129% (1.00  10.0 10.00   5.97 223.15) =  95.806%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.60 +/- 0.32  23.015% * 10.8440% (0.12  10.0 10.00   4.27 147.61) =   4.181%  kept
          HG2   MET   92 - HG3   PRO   52   9.58 +/- 5.36   9.225% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.009%
        T HG2   PRO   52 - HG2   PRO   58  12.82 +/- 0.94   0.179% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HG3   PRO   52  13.19 +/- 4.21   0.490% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HG3   PRO   52  17.15 +/- 4.81   0.330% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  19.73 +/- 5.16   0.334% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.09 +/- 1.48   0.115% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  12.28 +/- 1.90   0.237% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  28.58 +/- 4.18   0.019% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.31 +/- 3.66   0.010% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  17.06 +/- 3.30   0.097% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.68 +/- 5.44   0.054% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  30.01 +/- 4.44   0.020% *  0.0821% (0.95   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 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 = 223.1:
    * O T HD2   PRO   52 - HG3   PRO   52   2.81 +/- 0.17  86.005% * 96.1754% (1.00  10.0 10.00   6.45 223.15) =  99.982%  kept
        T HD2   PRO   52 - HG2   PRO   58  13.04 +/- 0.85   0.905% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.009%
          HA    SER   48 - HG3   PRO   52  10.48 +/- 1.16   1.842% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   PRO   52  30.84 +/- 3.79   0.099% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   PRO   58  26.77 +/- 2.59   0.118% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   PRO   52  17.95 +/- 3.92   0.782% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  16.83 +/- 2.98   1.038% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   PRO   58  22.22 +/- 4.04   1.202% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   PRO   58  11.20 +/- 2.54   2.689% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.61 +/- 1.70   0.921% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  22.59 +/- 3.96   0.520% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  30.19 +/- 3.78   0.107% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  17.60 +/- 3.43   0.548% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  26.79 +/- 3.02   0.129% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.20 +/- 4.85   0.703% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  19.44 +/- 3.54   0.354% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  26.88 +/- 3.24   0.133% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.89 +/- 3.52   0.075% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.96 +/- 4.58   0.393% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  17.70 +/- 2.58   0.440% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  20.07 +/- 4.22   0.484% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  21.88 +/- 3.20   0.232% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  22.84 +/- 3.19   0.184% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  28.68 +/- 3.52   0.095% *  0.0468% (0.49   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 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 = 0.996, support = 2.96, residual support = 44.4:
    * O T HB2   CYS   53 - HA    CYS   53   2.90 +/- 0.12  83.221% * 89.5564% (1.00  10.0 10.00   2.96  44.24) =  98.846%  kept
          HD3   PRO   52 - HA    CYS   53   6.22 +/- 0.06   8.595% * 10.0739% (0.69   1.0  1.00   3.28  55.46) =   1.148%  kept
          HD2   PRO   58 - HA    CYS   53   7.16 +/- 1.15   6.850% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   SER   82 - HA    CYS   53  21.34 +/- 4.03   0.429% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HA    CYS   53  19.37 +/- 3.94   0.628% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.59 +/- 2.40   0.155% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.71 +/- 2.22   0.123% *  0.0368% (0.41   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 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 3.35, residual support = 43.4:
    * O T HB3   CYS   53 - HA    CYS   53   2.66 +/- 0.23  63.154% * 79.0445% (1.00  10.0 10.00   3.38  44.24) =  97.391%  kept
          QB    PHE   55 - HA    CYS   53   4.22 +/- 0.53  19.552% *  4.0101% (0.87   1.0  1.00   1.17   0.02) =   1.530%  kept
          HD2   ARG+  54 - HA    CYS   53   7.48 +/- 0.67   3.096% * 16.1486% (0.99   1.0  1.00   4.12  31.73) =   0.975%  kept
          HD3   PRO   93 - HA    CYS   53   8.77 +/- 3.98   7.386% *  0.6758% (0.95   1.0  1.00   0.18   0.02) =   0.097%
          HB2   PHE   59 - HA    CYS   53   7.66 +/- 1.94   6.388% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.006%
          HD3   PRO   68 - HA    CYS   53  17.78 +/- 3.25   0.424% *  0.0730% (0.92   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 44.2:
    * O T HA    CYS   53 - HB2   CYS   53   2.90 +/- 0.12  98.078% * 98.9901% (1.00  10.0 10.00   2.96  44.24) =  99.997%  kept
        T HA    GLU-  25 - HB2   CYS   53  25.23 +/- 2.56   0.170% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HB2   CYS   53  19.93 +/- 2.87   0.384% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  19.78 +/- 2.94   0.429% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  15.53 +/- 2.13   0.761% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  24.78 +/- 2.44   0.178% *  0.0482% (0.49   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 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 = 0.999, support = 3.45, residual support = 44.1:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  91.961% * 79.3516% (1.00  10.0 10.00   3.45  44.24) =  99.444%  kept
          HD2   ARG+  54 - HB2   CYS   53   7.05 +/- 0.96   1.922% * 17.3645% (0.99   1.0  1.00   4.42  31.73) =   0.455%  kept
          QB    PHE   55 - HB2   CYS   53   6.03 +/- 0.31   2.312% *  3.0875% (0.87   1.0  1.00   0.90   0.02) =   0.097%
          HD3   PRO   93 - HB2   CYS   53   9.44 +/- 3.60   2.552% *  0.0751% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HB2   CYS   53   9.16 +/- 1.83   1.029% *  0.0481% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB2   CYS   53  17.69 +/- 4.10   0.223% *  0.0733% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.38, residual support = 44.2:
    * O T HA    CYS   53 - HB3   CYS   53   2.66 +/- 0.23  98.450% * 99.7562% (1.00  10.0 10.00   3.38  44.24) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  19.81 +/- 2.70   0.315% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.44 +/- 2.42   0.623% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  25.12 +/- 2.76   0.131% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  24.73 +/- 2.48   0.141% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.46 +/- 2.87   0.340% *  0.0175% (0.18   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 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.46, residual support = 44.3:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  95.548% * 86.6567% (1.00  10.0 10.00   3.45  44.24) =  99.541%  kept
          HD3   PRO   52 - HB3   CYS   53   5.85 +/- 0.71   2.898% * 13.1398% (0.69   1.0  1.00   4.41  55.46) =   0.458%  kept
          HD2   PRO   58 - HB3   CYS   53   8.43 +/- 1.69   1.238% *  0.0456% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB3   CYS   53  18.54 +/- 3.58   0.134% *  0.0389% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  24.12 +/- 2.46   0.041% *  0.0662% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.27 +/- 3.66   0.110% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.70 +/- 2.30   0.030% *  0.0356% (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 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 = 5.7, residual support = 169.4:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.78 +/- 0.19  74.471% * 98.6035% (1.00  10.0 10.00   5.70 169.42) =  99.984%  kept
          HB2   PRO   93 - HA    ARG+  54  11.04 +/- 3.39   3.245% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HA    LEU  115   6.45 +/- 1.19   9.292% *  0.0263% (0.27   1.0  1.00   0.02   7.18) =   0.003%
        T HB2   ARG+  54 - HA    LEU  115  14.62 +/- 1.59   0.628% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    LEU  115   8.63 +/- 2.64   5.866% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    ARG+  54  13.44 +/- 2.15   1.153% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.45 +/- 1.88   2.381% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  18.45 +/- 2.82   0.363% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  20.01 +/- 5.42   0.933% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  27.32 +/- 4.26   0.109% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.64 +/- 3.07   0.156% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  33.86 +/- 6.82   0.073% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.42 +/- 3.15   0.162% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  29.43 +/- 3.62   0.087% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.97 +/- 2.47   0.216% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  27.50 +/- 3.52   0.102% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.35 +/- 2.72   0.219% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.68 +/- 1.76   0.148% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.54 +/- 3.86   0.045% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.80 +/- 2.80   0.351% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.11 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.993, support = 5.63, residual support = 167.8:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.95 +/- 0.62  60.188% * 86.9372% (1.00  10.0 10.00   5.69 169.42) =  99.009%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.71 +/- 0.33   4.435% *  8.8468% (0.38   1.0 10.00   0.54   1.92) =   0.742%  kept
          HB    ILE   56 - HA    ARG+  54   6.97 +/- 0.80   7.278% *  1.0758% (0.41   1.0  1.00   0.60   0.02) =   0.148%  kept
        T HG3   PRO   68 - HA    ARG+  54  19.69 +/- 5.75   4.303% *  0.8617% (0.99   1.0 10.00   0.02   0.02) =   0.070%
        T QB    LYS+  81 - HA    ARG+  54  18.52 +/- 2.85   0.389% *  0.7541% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+  81 - HA    LEU  115  19.00 +/- 3.93   1.212% *  0.2320% (0.27   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   52 - HA    LEU  115  12.46 +/- 3.60   2.534% *  0.1004% (0.12   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HA    LEU  115  14.87 +/- 1.90   0.765% *  0.2675% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HA    LEU  115  17.87 +/- 3.07   0.443% *  0.2651% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  115   9.96 +/- 2.43   3.162% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    LEU  115   8.86 +/- 1.68   3.528% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  19.02 +/- 3.50   0.679% *  0.0803% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   8.50 +/- 1.57   4.644% *  0.0110% (0.13   1.0  1.00   0.02   0.11) =   0.001%
          HG    LEU  123 - HA    ARG+  54  17.79 +/- 3.95   1.178% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  17.44 +/- 2.51   0.467% *  0.0726% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  20.15 +/- 3.55   0.335% *  0.0867% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  115  15.37 +/- 2.06   0.605% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.20 +/- 3.33   0.161% *  0.0867% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  15.90 +/- 2.19   0.521% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  12.06 +/- 0.93   1.188% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.26 +/- 3.35   0.129% *  0.0839% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.31 +/- 3.07   0.191% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  29.19 +/- 5.90   0.192% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.79 +/- 3.29   0.210% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.92 +/- 1.76   0.661% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.82 +/- 3.16   0.162% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.69 +/- 2.44   0.178% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.31 +/- 2.37   0.262% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.21 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.982, support = 5.36, residual support = 141.3:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.26 +/- 0.63  30.301% * 72.3995% (1.00 10.00   5.64 169.42) =  81.219%  kept
          HB3   CYS   53 - HA    ARG+  54   5.08 +/- 0.50  18.997% * 14.8615% (0.99  1.00   4.14  31.73) =  10.452%  kept
          QB    PHE   55 - HA    ARG+  54   5.07 +/- 0.11  18.251% * 12.2595% (0.80  1.00   4.23   4.16) =   8.284%  kept
          HD3   PRO   93 - HA    ARG+  54  12.07 +/- 4.01   6.589% *  0.0649% (0.90  1.00   0.02   0.02) =   0.016%
          HB2   PHE   59 - HA    ARG+  54   8.73 +/- 1.56   5.872% *  0.0381% (0.53  1.00   0.02   0.02) =   0.008%
          HD3   PRO   68 - HA    ARG+  54  18.08 +/- 4.69   2.535% *  0.0628% (0.87  1.00   0.02   0.02) =   0.006%
        T HD2   ARG+  54 - HA    LEU  115  15.97 +/- 1.76   0.636% *  0.2228% (0.31 10.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    LEU  115   7.26 +/- 1.04   7.234% *  0.0117% (0.16  1.00   0.02  29.70) =   0.003%
          HD3   PRO   93 - HA    LEU  115  10.83 +/- 2.94   3.566% *  0.0200% (0.28  1.00   0.02   0.02) =   0.003%
          QB    PHE   55 - HA    LEU  115  10.06 +/- 2.32   3.277% *  0.0178% (0.25  1.00   0.02   4.57) =   0.002%
          HB3   CYS   53 - HA    LEU  115  12.31 +/- 2.37   2.101% *  0.0221% (0.30  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    LEU  115  16.44 +/- 2.75   0.640% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 5.7, residual support = 169.4:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.78 +/- 0.19  89.196% * 98.5625% (1.00  10.0 10.00   5.70 169.42) =  99.993%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.62 +/- 1.59   0.752% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA  124 - HB2   ARG+  54  24.55 +/- 4.21   0.269% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.65 +/- 3.24   0.356% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  27.32 +/- 4.26   0.131% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.15 +/- 4.49   0.276% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  12.78 +/- 3.01   1.804% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.13 +/- 4.62   0.249% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  16.77 +/- 3.68   1.157% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  27.50 +/- 3.52   0.123% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  33.86 +/- 6.82   0.087% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.09 +/- 1.81   0.470% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  17.83 +/- 5.24   1.485% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  14.92 +/- 3.13   0.935% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  33.51 +/- 5.29   0.133% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  20.86 +/- 5.52   0.575% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  17.86 +/- 4.26   0.810% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.54 +/- 3.86   0.054% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.37 +/- 3.71   0.091% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  26.92 +/- 6.30   0.162% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.26 +/- 5.26   0.334% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  28.18 +/- 3.47   0.103% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  33.47 +/- 5.90   0.070% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  33.84 +/- 5.92   0.080% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  26.98 +/- 5.93   0.180% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.23 +/- 3.79   0.080% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.17 +/- 3.76   0.039% *  0.0017% (0.02   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 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 = 0.994, support = 4.97, residual support = 162.1:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.59 +/- 0.59  67.013% * 74.1394% (1.00  10.0 10.00   5.05 169.42) =  95.183%  kept
          HB3   CYS   53 - HB2   ARG+  54   5.96 +/- 0.71   9.411% * 13.6836% (0.99   1.0  1.00   3.72  31.73) =   2.467%  kept
          QB    PHE   55 - HB2   ARG+  54   4.94 +/- 0.48  11.343% * 10.2885% (0.80   1.0  1.00   3.47   4.16) =   2.236%  kept
        T HD3   PRO   93 - HB2   ARG+  54  12.26 +/- 3.92   7.092% *  0.6649% (0.90   1.0 10.00   0.02   0.02) =   0.090%
        T HD3   PRO   68 - HB2   ARG+  54  19.63 +/- 5.47   1.672% *  0.6431% (0.87   1.0 10.00   0.02   0.02) =   0.021%
          HB2   PHE   59 - HB2   ARG+  54  10.72 +/- 1.33   1.437% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   GLU-  14  15.45 +/- 2.96   0.581% *  0.0946% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HG2   MET   11  22.20 +/- 4.05   0.674% *  0.0622% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   GLU-  14  29.76 +/- 6.05   0.071% *  0.1090% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  29.18 +/- 3.87   0.068% *  0.0978% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  36.08 +/- 8.53   0.083% *  0.0717% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  35.49 +/- 5.20   0.046% *  0.0643% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  26.75 +/- 3.36   0.086% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  26.58 +/- 3.61   0.084% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  24.22 +/- 2.66   0.114% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  33.23 +/- 5.67   0.074% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.62 +/- 5.51   0.070% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  31.46 +/- 4.16   0.081% *  0.0038% (0.05   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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 169.4:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.26 +/- 0.63  91.443% * 99.0328% (1.00 10.00   5.64 169.42) =  99.982%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.97 +/- 1.76   2.062% *  0.6007% (0.61 10.00   0.02   0.02) =   0.014%
          HA    ALA  124 - HD2   ARG+  54  25.56 +/- 4.28   1.133% *  0.0971% (0.98  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HD2   ARG+  54  20.89 +/- 3.38   1.232% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HD2   ARG+  54  28.53 +/- 4.76   0.854% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HD2   ARG+  54  29.28 +/- 5.31   0.978% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  34.58 +/- 6.10   0.593% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.27 +/- 1.91   1.376% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.41 +/- 4.24   0.329% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 169.4:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.59 +/- 0.59  93.080% * 97.9068% (1.00  10.0 10.00   5.05 169.42) =  99.978%  kept
        T HB2   PRO   93 - HD2   ARG+  54  13.41 +/- 2.64   2.064% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   GLN   30 - HD2   ARG+  54  26.36 +/- 4.00   0.131% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD2   ARG+  54  22.19 +/- 7.34   3.291% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   ARG+  54  16.31 +/- 2.01   0.592% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD2   ARG+  54  20.50 +/- 2.95   0.406% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  36.08 +/- 8.53   0.117% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  29.76 +/- 6.05   0.099% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  26.57 +/- 3.98   0.131% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  31.92 +/- 4.72   0.088% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.995, support = 4.85, residual support = 168.1:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.85 +/- 0.19  81.373% * 88.7737% (1.00  10.0 10.00   4.89 169.42) =  99.233%  kept
        T HB3   PRO   52 - HD2   ARG+  54   7.99 +/- 1.18   5.358% *  9.0337% (0.38   1.0 10.00   0.54   1.92) =   0.665%  kept
        T HG3   PRO   68 - HD2   ARG+  54  21.95 +/- 7.38   7.852% *  0.8799% (0.99   1.0 10.00   0.02   0.02) =   0.095%
        T QB    LYS+  81 - HD2   ARG+  54  19.84 +/- 3.34   0.395% *  0.7700% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HD2   ARG+  54  10.18 +/- 1.13   2.060% *  0.0365% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD2   ARG+  54  19.62 +/- 2.37   0.329% *  0.0742% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  31.76 +/- 7.56   0.948% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  20.56 +/- 3.02   0.279% *  0.0819% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.85 +/- 3.58   0.250% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  20.44 +/- 3.84   0.462% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.81 +/- 4.28   0.174% *  0.0857% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.72 +/- 3.43   0.139% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  25.40 +/- 3.47   0.179% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  26.70 +/- 4.16   0.202% *  0.0137% (0.15   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 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 = 0.997, support = 3.78, residual support = 21.0:
    * O T QB    PHE   55 - HA    PHE   55   2.41 +/- 0.09  80.948% * 87.4588% (1.00  10.0 10.00   3.79  21.29) =  98.308%  kept
          HD2   ARG+  54 - HA    PHE   55   5.68 +/- 0.96  10.175% * 11.9153% (0.80   1.0  1.00   3.40   4.16) =   1.684%  kept
          HB3   CYS   53 - HA    PHE   55   7.97 +/- 0.26   2.303% *  0.0759% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PHE   55   8.65 +/- 1.01   2.076% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   55  13.10 +/- 4.34   1.088% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    PHE   55 - HA    VAL   42  17.32 +/- 2.07   0.306% *  0.2058% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   55  19.23 +/- 3.71   0.413% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.32 +/- 1.63   0.779% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.47 +/- 2.37   0.717% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.27 +/- 1.99   0.548% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.50 +/- 3.97   0.368% *  0.0165% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.83 +/- 2.08   0.279% *  0.0179% (0.20   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 21.3:
    * O T HA    PHE   55 - QB    PHE   55   2.41 +/- 0.09  92.647% * 97.9372% (1.00  10.0 10.00   3.79  21.29) =  99.895%  kept
          HA    ALA  110 - QB    PHE   55  11.87 +/- 4.78   6.569% *  1.4157% (0.87   1.0  1.00   0.33   0.22) =   0.102%  kept
        T HA    VAL   42 - QB    PHE   55  17.32 +/- 2.07   0.350% *  0.5545% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  16.09 +/- 2.99   0.434% *  0.0926% (0.95   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 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 = 0.993, support = 4.35, residual support = 124.0:
    * O T HB    ILE   56 - HA    ILE   56   2.43 +/- 0.13  87.069% * 84.3863% (1.00  10.0 10.00   4.40 125.67) =  98.641%  kept
        T HB3   PRO   58 - HA    ILE   56   6.01 +/- 0.80   6.713% * 15.0427% (0.49   1.0 10.00   0.73   0.02) =   1.356%  kept
          HG2   ARG+  54 - HA    ILE   56   7.49 +/- 0.78   3.318% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    ILE   56  14.56 +/- 3.87   0.713% *  0.0580% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  15.85 +/- 2.80   0.400% *  0.0645% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  19.89 +/- 3.65   0.286% *  0.0613% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  17.35 +/- 4.19   0.417% *  0.0378% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  19.70 +/- 3.48   0.262% *  0.0546% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.17 +/- 3.35   0.347% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  23.17 +/- 2.91   0.125% *  0.0705% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.14 +/- 4.28   0.098% *  0.0814% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.25 +/- 3.56   0.122% *  0.0478% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  22.52 +/- 3.22   0.130% *  0.0317% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 125.7:
    * O   QG2   ILE   56 - HA    ILE   56   2.49 +/- 0.35  96.705% * 98.4757% (1.00  10.0  1.00   4.74 125.67) =  99.996%  kept
        T HG3   LYS+  38 - HA    ILE   56  27.87 +/- 4.33   0.180% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   91 - HA    ILE   56  14.44 +/- 2.73   0.847% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  24.18 +/- 3.56   0.177% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  20.13 +/- 2.65   0.325% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.47 +/- 2.45   0.294% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.93 +/- 3.65   0.309% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  15.74 +/- 3.18   0.729% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  21.34 +/- 2.12   0.188% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.93 +/- 3.07   0.244% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 125.7:
    * O T QG1   ILE   56 - HA    ILE   56   3.27 +/- 0.42  91.775% * 97.9351% (1.00  10.0 10.00   3.88 125.67) =  99.986%  kept
        T QD    LYS+ 106 - HA    ILE   56  16.96 +/- 3.13   0.887% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+  99 - HA    ILE   56  22.92 +/- 3.33   0.353% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HA    ILE   56  21.58 +/- 3.63   0.454% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   89 - HA    ILE   56  17.40 +/- 4.17   3.384% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    ILE   56  13.61 +/- 3.76   2.316% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  19.34 +/- 2.80   0.831% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.23 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.39, residual support = 125.5:
    * O T HA    ILE   56 - HB    ILE   56   2.43 +/- 0.13  90.276% * 96.5500% (1.00  10.0 10.00   4.40 125.67) =  99.834%  kept
        T HA    PRO   58 - HB    ILE   56   6.42 +/- 0.88   6.224% *  2.1657% (0.28   1.0 10.00   0.16   0.02) =   0.154%  kept
        T HA    LEU  123 - HB    ILE   56  13.97 +/- 2.87   0.896% *  0.9464% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HA    ASP- 113 - HB    ILE   56   9.68 +/- 1.81   1.981% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB    ILE   56  21.73 +/- 3.22   0.160% *  0.0913% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.02 +/- 3.26   0.209% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.35 +/- 3.25   0.083% *  0.0963% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  23.76 +/- 2.20   0.109% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.93 +/- 3.27   0.063% *  0.0241% (0.25   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 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 = 5.54, residual support = 125.7:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.02  97.996% * 98.4757% (1.00  10.0 10.00   5.54 125.67) =  99.998%  kept
        T HG3   LYS+  38 - HB    ILE   56  26.56 +/- 3.88   0.083% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   56  13.48 +/- 2.73   0.494% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.78 +/- 3.60   0.109% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  20.37 +/- 3.46   0.283% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.06 +/- 2.38   0.167% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.40 +/- 2.47   0.177% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  15.07 +/- 2.74   0.380% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.49 +/- 2.21   0.124% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  19.88 +/- 3.26   0.189% *  0.0172% (0.18   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 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 125.7:
    * O T QG1   ILE   56 - HB    ILE   56   2.20 +/- 0.11  96.053% * 98.7886% (1.00  10.0 10.00   4.62 125.67) =  99.995%  kept
        T QD    LYS+ 106 - HB    ILE   56  15.46 +/- 3.04   0.394% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   89 - HB    ILE   56  16.15 +/- 3.98   1.707% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HB    ILE   56  20.33 +/- 3.63   0.175% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  12.60 +/- 3.73   1.303% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.48 +/- 3.45   0.138% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  18.46 +/- 2.40   0.231% *  0.0305% (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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 125.7:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.02  87.700% * 98.4311% (1.00  10.0 10.00   5.54 125.67) =  99.991%  kept
          HB3   PRO   58 - QG2   ILE   56   6.51 +/- 0.84   3.558% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG2   ILE   56   6.73 +/- 1.34   4.181% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LYS+  38 - QG2   ILE   56  22.36 +/- 3.53   0.154% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   ILE   56  11.05 +/- 3.14   1.307% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  12.29 +/- 2.40   0.604% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   ILE   56  13.88 +/- 3.49   0.611% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.08 +/- 3.14   0.746% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  16.30 +/- 2.99   0.326% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  15.49 +/- 2.79   0.366% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  19.23 +/- 2.20   0.143% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  20.12 +/- 2.79   0.130% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  18.07 +/- 2.68   0.174% *  0.0369% (0.38   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 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 = 4.86, residual support = 125.7:
    * O T QG1   ILE   56 - QG2   ILE   56   2.34 +/- 0.19  92.919% * 98.7886% (1.00  10.0 10.00   4.86 125.67) =  99.991%  kept
        T QD    LYS+ 106 - QG2   ILE   56  13.20 +/- 2.68   0.728% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QG2   ILE   56  17.72 +/- 3.15   0.343% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QG2   ILE   56  13.76 +/- 3.50   2.642% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QG2   ILE   56  10.22 +/- 3.22   2.713% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QG2   ILE   56  18.79 +/- 3.04   0.262% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  16.16 +/- 2.31   0.394% *  0.0305% (0.31   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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.87, residual support = 124.9:
    * O T HA    ILE   56 - QG1   ILE   56   3.27 +/- 0.42  70.910% * 95.8775% (1.00  10.0 10.00   3.88 125.67) =  99.396%  kept
          HA    PRO   58 - QG1   ILE   56   6.08 +/- 0.90  14.851% *  2.3185% (0.28   1.0  1.00   1.74   0.02) =   0.503%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.27 +/- 2.18   9.855% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.089%
        T HA    LYS+  99 - QG1   ILE   56  18.59 +/- 2.93   0.581% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          HA    LEU  123 - QG1   ILE   56  12.60 +/- 2.07   2.107% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - QG1   ILE   56  17.17 +/- 3.14   0.894% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QG1   ILE   56  22.97 +/- 2.95   0.290% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.82 +/- 2.11   0.323% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  25.50 +/- 2.92   0.190% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.61, residual support = 125.3:
    * O T HB    ILE   56 - QG1   ILE   56   2.20 +/- 0.11  88.032% * 93.5340% (1.00  10.0 10.00   4.62 125.67) =  99.712%  kept
          HB3   PRO   58 - QG1   ILE   56   6.46 +/- 0.79   4.407% *  5.1898% (0.49   1.0  1.00   2.28   0.02) =   0.277%  kept
        T QB    LYS+ 106 - QG1   ILE   56  11.90 +/- 2.27   0.806% *  0.7148% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - QG1   ILE   56   7.76 +/- 1.14   2.408% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG1   ILE   56  11.38 +/- 3.32   1.156% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  13.27 +/- 3.42   1.202% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG1   ILE   56  16.57 +/- 2.82   0.381% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  15.72 +/- 2.50   0.338% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.15 +/- 3.04   0.586% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.50 +/- 3.73   0.164% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  19.13 +/- 1.96   0.158% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.76 +/- 2.74   0.221% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.27 +/- 2.71   0.143% *  0.0530% (0.57   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 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 125.7:
    * O T QG2   ILE   56 - QG1   ILE   56   2.34 +/- 0.19  95.643% * 98.4757% (1.00  10.0 10.00   4.86 125.67) =  99.995%  kept
        T HG3   LYS+  38 - QG1   ILE   56  23.14 +/- 3.56   0.193% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QG1   ILE   56  11.35 +/- 2.32   1.224% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  19.58 +/- 3.13   0.266% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QG1   ILE   56  16.52 +/- 2.12   0.378% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.91 +/- 2.13   0.398% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.83 +/- 2.64   0.376% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  12.89 +/- 2.39   0.839% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  17.82 +/- 1.87   0.246% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.23 +/- 3.07   0.437% *  0.0172% (0.18   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 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 = 0.921, support = 6.5, residual support = 142.3:
    * O T HA    PRO   58 - HD2   PRO   58   3.84 +/- 0.08  32.969% * 97.5451% (0.95  10.0 10.00   6.69 147.61) =  96.413%  kept
          HA    ILE   56 - HD2   PRO   58   3.00 +/- 0.70  61.918% *  1.9283% (0.26   1.0  1.00   1.42   0.02) =   3.579%  kept
          HA    THR   46 - HD2   PRO   58  12.00 +/- 3.19   1.833% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HD2   PRO   58  14.35 +/- 3.33   2.031% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HD2   PRO   58  20.93 +/- 2.99   0.238% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   58  19.15 +/- 3.20   0.356% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  23.30 +/- 2.36   0.162% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  28.33 +/- 3.57   0.084% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  27.23 +/- 3.39   0.092% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.75 +/- 2.91   0.217% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.89 +/- 3.32   0.100% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 147.6:
    * O T HB2   PRO   58 - HD2   PRO   58   3.87 +/- 0.26  87.033% * 99.3830% (0.95  10.0 10.00   6.91 147.61) =  99.992%  kept
          HB2   GLN  116 - HD2   PRO   58   9.89 +/- 1.46   6.224% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU- 100 - HD2   PRO   58  26.93 +/- 3.04   0.340% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HD2   PRO   58  17.72 +/- 3.29   1.781% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HD2   PRO   58  11.20 +/- 1.15   4.112% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  28.37 +/- 5.43   0.510% *  0.0276% (0.26   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 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.78, residual support = 140.4:
    * O T HB3   PRO   58 - HD2   PRO   58   3.85 +/- 0.27  44.007% * 92.4540% (0.79  10.0 10.00   7.07 147.61) =  95.140%  kept
          HB    ILE   56 - HD2   PRO   58   4.10 +/- 0.97  40.721% *  5.0806% (0.79   1.0  1.00   1.10   0.02) =   4.838%  kept
        T HB3   GLN   30 - HD2   PRO   58  22.29 +/- 2.90   0.260% *  1.1069% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   LYS+  38 - HD2   PRO   58  26.47 +/- 4.25   0.221% *  1.0471% (0.89   1.0 10.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HD2   PRO   58   8.17 +/- 1.60  10.502% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HD2   PRO   58  15.79 +/- 3.89   1.360% *  0.1068% (0.91   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   PRO   58  16.50 +/- 2.45   0.651% *  0.0455% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD2   PRO   58  20.12 +/- 4.24   0.654% *  0.0415% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   58  17.50 +/- 4.08   0.872% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  20.46 +/- 3.91   0.417% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.39 +/- 3.44   0.250% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  33.13 +/- 4.85   0.086% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.11 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 147.6:
    * O T HG2   PRO   58 - HD2   PRO   58   2.76 +/- 0.26  93.750% * 98.7160% (0.95  10.0 10.00   6.60 147.61) =  99.985%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.12 +/- 1.20   1.285% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.014%
          HB2   PRO   93 - HD2   PRO   58  11.87 +/- 3.56   3.581% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   58  25.71 +/- 3.56   0.155% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.01 +/- 2.38   0.383% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  23.69 +/- 5.00   0.580% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  32.69 +/- 4.70   0.077% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  24.54 +/- 2.92   0.188% *  0.0195% (0.19   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 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 = 6.26, residual support = 147.6:
    * O T HB2   PRO   58 - HA    PRO   58   2.54 +/- 0.21  96.666% * 99.2784% (1.00  10.0 10.00   6.26 147.61) =  99.992%  kept
        T HB2   GLN  116 - HA    PRO   58  11.06 +/- 1.16   1.287% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PHE   97 - HA    PRO   58  16.25 +/- 3.32   0.844% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    PRO   58  13.59 +/- 1.35   0.689% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  26.21 +/- 5.74   0.361% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  24.72 +/- 3.10   0.154% *  0.0445% (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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.5:
    * O T HB3   PRO   58 - HA    PRO   58   2.50 +/- 0.21  88.361% * 98.4544% (0.84  10.0 10.00   6.22 147.61) =  99.927%  kept
        T HB    ILE   56 - HA    PRO   58   6.42 +/- 0.88   6.202% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.070%
          HB2   MET   92 - HA    PRO   58  17.22 +/- 3.45   0.433% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    PRO   58  20.09 +/- 4.57   0.946% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    PRO   58  10.82 +/- 1.62   1.809% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  19.80 +/- 2.92   0.270% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.89 +/- 3.98   0.223% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  16.18 +/- 2.49   0.427% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.31 +/- 4.05   0.660% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.05 +/- 4.02   0.341% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.87 +/- 3.55   0.253% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  30.29 +/- 4.44   0.077% *  0.0206% (0.18   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 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.6:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  84.830% * 98.7160% (1.00  10.0 10.00   5.98 147.61) =  99.973%  kept
        T HG3   PRO   52 - HA    PRO   58  14.62 +/- 1.39   1.866% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.022%
          HB2   PRO   93 - HA    PRO   58  12.86 +/- 3.31   5.421% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   24 - HA    PRO   58  21.88 +/- 5.27   4.953% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    PRO   58  22.81 +/- 3.57   0.579% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  16.75 +/- 2.06   1.356% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    PRO   58  29.85 +/- 4.41   0.266% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  22.21 +/- 3.06   0.729% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.13 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.6:
    * O T HD2   PRO   58 - HA    PRO   58   3.84 +/- 0.08  89.022% * 98.5403% (0.95  10.0 10.00   6.69 147.61) =  99.987%  kept
        T HA    GLU- 100 - HA    PRO   58  24.31 +/- 2.78   0.423% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB2   CYS   53 - HA    PRO   58  10.03 +/- 2.15   8.097% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HA    PRO   58  23.19 +/- 3.33   0.739% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  22.36 +/- 4.56   1.719% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.6:
    * O T HA    PRO   58 - HB2   PRO   58   2.54 +/- 0.21  87.961% * 99.4356% (1.00  10.0 10.00   6.26 147.61) =  99.995%  kept
          HA    ILE   56 - HB2   PRO   58   6.06 +/- 0.65   7.280% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   PRO   58  12.89 +/- 3.47   2.407% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   PRO   58  13.53 +/- 2.84   0.880% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  19.56 +/- 2.99   0.318% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  17.61 +/- 3.54   0.378% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  21.58 +/- 2.44   0.161% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  26.54 +/- 3.52   0.091% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  25.42 +/- 3.04   0.120% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.39 +/- 3.56   0.269% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  25.26 +/- 3.09   0.135% *  0.0248% (0.25   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 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 = 4.5, residual support = 147.6:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  94.527% * 98.9371% (0.84  10.0 10.00   4.50 147.61) =  99.993%  kept
        T QB    LYS+  81 - HB2   PRO   58  20.93 +/- 4.67   0.695% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HB2   PRO   58   6.24 +/- 1.11   2.961% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HB2   PRO   58  17.72 +/- 2.99   0.117% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.20 +/- 1.88   0.659% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.40 +/- 5.26   0.512% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.36 +/- 3.30   0.187% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  21.07 +/- 2.50   0.069% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.85 +/- 3.97   0.062% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  21.63 +/- 3.78   0.105% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  21.84 +/- 3.35   0.084% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.42 +/- 4.42   0.022% *  0.0207% (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 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 147.6:
    * O T HG2   PRO   58 - HB2   PRO   58   2.60 +/- 0.32  96.072% * 98.7160% (1.00  10.0 10.00   4.27 147.61) =  99.993%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.09 +/- 1.48   0.590% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - HB2   PRO   58  13.40 +/- 2.90   1.179% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  23.13 +/- 5.19   1.303% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  23.94 +/- 3.55   0.199% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.69 +/- 1.89   0.374% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  30.95 +/- 4.37   0.094% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.16 +/- 2.93   0.189% *  0.0195% (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 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 147.6:
    * O T HD2   PRO   58 - HB2   PRO   58   3.87 +/- 0.26  90.782% * 98.5403% (0.95  10.0 10.00   6.91 147.61) =  99.987%  kept
        T HA    GLU- 100 - HB2   PRO   58  25.18 +/- 3.36   0.481% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL   83 - HB2   PRO   58  23.36 +/- 4.58   2.888% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB2   CYS   53 - HB2   PRO   58  10.83 +/- 1.84   5.289% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HB2   PRO   58  24.21 +/- 3.33   0.560% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.83, support = 6.17, residual support = 146.3:
    * O T HA    PRO   58 - HB3   PRO   58   2.50 +/- 0.21  87.579% * 90.3161% (0.84  10.0 10.00   6.22 147.61) =  99.091%  kept
        T HA    ILE   56 - HB3   PRO   58   6.01 +/- 0.80   7.865% *  9.1963% (0.23   1.0 10.00   0.73   0.02) =   0.906%  kept
          HA    LEU  123 - HB3   PRO   58  12.38 +/- 3.31   2.186% *  0.0339% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  14.09 +/- 3.05   1.031% *  0.0548% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  17.62 +/- 3.71   0.457% *  0.0475% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  19.65 +/- 2.73   0.218% *  0.0872% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  21.70 +/- 2.67   0.177% *  0.0901% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  26.74 +/- 3.70   0.115% *  0.0901% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  25.47 +/- 3.15   0.103% *  0.0475% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  21.69 +/- 3.21   0.168% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  25.36 +/- 3.02   0.101% *  0.0225% (0.21   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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 147.6:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  98.796% * 99.1367% (0.84  10.0 10.00   4.50 147.61) =  99.998%  kept
        T HB3   PHE   97 - HB3   PRO   58  17.10 +/- 3.62   0.199% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HB3   PRO   58  10.33 +/- 1.53   0.631% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  27.80 +/- 6.15   0.143% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.49 +/- 1.24   0.191% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  25.78 +/- 3.36   0.040% *  0.0444% (0.37   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 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 = 4.23, residual support = 147.6:
    * O T HG2   PRO   58 - HB3   PRO   58   2.66 +/- 0.32  96.598% * 97.0168% (0.84  10.0 10.00   4.23 147.61) =  99.990%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.47 +/- 1.40   0.626% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   GLU-  14 - HB3   PRO   58  24.17 +/- 3.79   0.154% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HB3   PRO   58  31.22 +/- 4.28   0.074% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HB3   PRO   58  13.85 +/- 3.15   1.313% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.54 +/- 2.36   0.400% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  23.69 +/- 5.35   0.584% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.43 +/- 3.10   0.252% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.27 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.07, residual support = 147.6:
    * O T HD2   PRO   58 - HB3   PRO   58   3.85 +/- 0.27  90.780% * 98.5403% (0.79  10.0 10.00   7.07 147.61) =  99.989%  kept
        T HA    GLU- 100 - HB3   PRO   58  25.50 +/- 3.05   0.357% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   83 - HB3   PRO   58  23.84 +/- 4.99   2.983% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.003%
          HB2   CYS   53 - HB3   PRO   58  11.27 +/- 1.82   5.312% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HB3   PRO   58  24.25 +/- 3.26   0.568% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 147.0:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  39.646% * 97.9061% (1.00  10.0 10.00   5.98 147.61) =  99.612%  kept
          HA    ILE   56 - HG2   PRO   58   3.98 +/- 0.77  42.448% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.352%  kept
        T HA    PRO   58 - HG3   PRO   52  14.62 +/- 1.39   0.860% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.018%
          HA    THR   46 - HG3   PRO   52   9.41 +/- 2.30   4.816% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HA    LEU  123 - HG2   PRO   58  12.74 +/- 3.00   3.257% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   46 - HG2   PRO   58  13.21 +/- 2.47   1.507% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG3   PRO   52  10.59 +/- 1.34   2.888% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG3   PRO   52  22.38 +/- 4.93   1.719% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   PRO   58  20.33 +/- 2.91   0.419% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  18.97 +/- 3.33   0.458% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  23.09 +/- 2.24   0.216% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   52  25.54 +/- 2.82   0.181% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  28.15 +/- 3.36   0.129% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  29.00 +/- 2.80   0.117% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  25.13 +/- 3.60   0.201% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  26.53 +/- 3.14   0.160% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.66 +/- 3.58   0.078% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.14 +/- 3.38   0.341% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  26.33 +/- 3.00   0.178% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  32.58 +/- 3.49   0.087% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.42 +/- 3.92   0.133% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.37 +/- 2.85   0.161% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.769, support = 4.72, residual support = 167.6:
    * O T HB2   PRO   58 - HG2   PRO   58   2.60 +/- 0.32  25.309% * 87.8577% (1.00  10.0 10.00   4.27 147.61) =  73.548%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  72.852% * 10.9746% (0.12  10.0 10.00   5.97 223.15) =  26.446%  kept
        T HB2   PRO   58 - HG3   PRO   52  15.09 +/- 1.48   0.127% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HG2   PRO   58   8.70 +/- 1.58   0.846% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  12.82 +/- 0.94   0.197% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG3   PRO   52  14.26 +/- 3.90   0.316% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  16.93 +/- 3.96   0.171% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.88 +/- 3.17   0.058% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.68 +/- 5.44   0.059% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.29 +/- 3.44   0.026% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.43 +/- 3.18   0.016% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  30.01 +/- 4.44   0.022% *  0.0198% (0.23   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 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.21, residual support = 147.0:
    * O T HB3   PRO   58 - HG2   PRO   58   2.66 +/- 0.32  54.170% * 96.3375% (0.84  10.0 10.00   4.23 147.61) =  99.580%  kept
          HB    ILE   56 - HG2   PRO   58   4.25 +/- 1.09  25.874% *  0.7772% (0.84   1.0  1.00   0.16   0.02) =   0.384%  kept
          HB2   MET   92 - HG3   PRO   52   9.43 +/- 5.16   9.485% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.016%
        T QB    LYS+  81 - HG2   PRO   58  21.02 +/- 4.19   0.643% *  0.4329% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   58 - HG3   PRO   52  15.47 +/- 1.40   0.320% *  0.7799% (0.68   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG3   PRO   52  16.22 +/- 3.74   0.459% *  0.3504% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HG3   PRO   52  10.72 +/- 1.56   1.928% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HG2   PRO   58  16.69 +/- 3.27   0.297% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.67 +/- 0.92   2.014% *  0.0144% (0.12   1.0  1.00   0.02   1.92) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.15 +/- 1.49   1.253% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.99 +/- 2.99   0.447% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  16.49 +/- 3.65   0.540% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.41 +/- 4.92   0.991% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  15.21 +/- 4.36   0.532% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.76 +/- 3.87   0.131% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.28 +/- 2.49   0.107% *  0.1153% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.10 +/- 3.52   0.243% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.62 +/- 3.19   0.088% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  33.07 +/- 4.35   0.035% *  0.2020% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.51 +/- 4.31   0.063% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  37.88 +/- 5.98   0.030% *  0.1635% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.03 +/- 3.32   0.122% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.00 +/- 3.97   0.167% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.44 +/- 3.21   0.063% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.14 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 = 0.942, support = 6.59, residual support = 147.1:
    * O T HD2   PRO   58 - HG2   PRO   58   2.76 +/- 0.26  87.030% * 92.8706% (0.95  10.0 10.00   6.60 147.61) =  99.469%  kept
          HB2   CYS   53 - HG3   PRO   52   6.67 +/- 0.71   7.059% *  5.9445% (0.28   1.0  1.00   4.39  55.46) =   0.516%  kept
        T HD2   PRO   58 - HG3   PRO   52  12.12 +/- 1.20   1.193% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.011%
          HB2   CYS   53 - HG2   PRO   58  10.02 +/- 1.41   2.603% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG2   PRO   58  23.52 +/- 4.47   0.876% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   52  19.71 +/- 4.86   0.762% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - HG2   PRO   58  26.02 +/- 3.19   0.141% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.86 +/- 2.72   0.077% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  25.19 +/- 3.27   0.152% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  30.65 +/- 3.71   0.106% *  0.0221% (0.23   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 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 = 3.27, residual support = 58.0:
    * O T HB2   PHE   59 - HA    PHE   59   2.70 +/- 0.28  91.845% * 99.6348% (1.00  10.0 10.00   3.27  58.01) =  99.993%  kept
          QB    PHE   55 - HA    PHE   59   9.36 +/- 0.65   2.580% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HA    PHE   59  10.81 +/- 1.67   2.186% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   59  11.97 +/- 2.30   1.354% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   59  13.97 +/- 2.44   1.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  13.55 +/- 1.86   1.033% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 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 = 3.96, residual support = 58.0:
    * O T HB3   PHE   59 - HA    PHE   59   2.85 +/- 0.22  99.583% * 99.9552% (1.00  10.0 10.00   3.96  58.01) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  18.47 +/- 1.61   0.417% *  0.0448% (0.45   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 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 58.0:
    * O T HA    PHE   59 - HB2   PHE   59   2.70 +/- 0.28  95.896% * 99.8386% (1.00  10.0 10.00   3.27  58.01) =  99.998%  kept
          HA    ASP- 113 - HB2   PHE   59   9.41 +/- 1.51   2.840% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB2   PHE   59  18.96 +/- 2.74   0.649% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.33 +/- 3.06   0.443% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.11 +/- 2.65   0.172% *  0.0154% (0.15   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 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 = 58.0:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.871% * 99.9552% (1.00  10.0 10.00   3.44  58.01) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.00 +/- 1.96   0.129% *  0.0448% (0.45   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 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 58.0:
    * O T HA    PHE   59 - HB3   PHE   59   2.85 +/- 0.22  95.745% * 99.8386% (1.00  10.0 10.00   3.96  58.01) =  99.998%  kept
          HA    ASP- 113 - HB3   PHE   59   9.84 +/- 1.70   3.066% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB3   PHE   59  18.59 +/- 2.61   0.501% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.16 +/- 3.16   0.491% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.94 +/- 2.16   0.196% *  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 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.0:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  95.931% * 99.6348% (1.00  10.0 10.00   3.44  58.01) =  99.997%  kept
          QB    PHE   55 - HB3   PHE   59   7.40 +/- 0.89   1.428% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59   8.88 +/- 1.81   1.480% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  11.96 +/- 2.75   0.493% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.15 +/- 1.69   0.263% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.90 +/- 1.81   0.405% *  0.0524% (0.53   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 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 = 72.4:
    * O T HB2   PHE   60 - HA    PHE   60   2.84 +/- 0.23  99.232% * 99.9010% (1.00  10.0 10.00   4.00  72.42) =  99.999%  kept
          HB2   TRP   87 - HA    PHE   60  15.71 +/- 2.45   0.768% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 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 = 72.4:
    * O T HB3   PHE   60 - HA    PHE   60   2.66 +/- 0.31  94.720% * 99.7797% (1.00  10.0 10.00   4.00  72.42) =  99.997%  kept
          HB2   PHE   97 - HA    PHE   60  12.89 +/- 3.06   3.662% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HA    PHE   60  15.18 +/- 2.69   0.817% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  16.24 +/- 2.82   0.612% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  22.71 +/- 2.79   0.189% *  0.0249% (0.25   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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB2   PHE   60   2.84 +/- 0.23  89.603% * 99.8400% (1.00  10.0 10.00   4.00  72.42) =  99.997%  kept
          HB    THR   94 - HB2   PHE   60  11.60 +/- 4.14   5.792% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   60  12.68 +/- 1.59   1.288% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  13.16 +/- 1.50   1.146% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  14.79 +/- 1.89   0.897% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.64 +/- 3.10   1.275% *  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 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 = 72.4:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.238% * 99.7797% (1.00  10.0 10.00   4.00  72.42) = 100.000%  kept
          HB2   PHE   97 - HB2   PHE   60  13.82 +/- 2.58   0.358% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  15.77 +/- 2.78   0.183% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  16.36 +/- 3.17   0.164% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  23.33 +/- 2.96   0.056% *  0.0249% (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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB3   PHE   60   2.66 +/- 0.31  89.740% * 99.8400% (1.00  10.0 10.00   4.00  72.42) =  99.997%  kept
          HB    THR   94 - HB3   PHE   60  11.64 +/- 4.22   6.340% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HB3   PHE   60  12.68 +/- 2.04   1.112% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  12.99 +/- 1.80   0.944% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.60 +/- 3.16   1.234% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  14.87 +/- 1.73   0.631% *  0.0278% (0.28   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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.737% * 99.9010% (1.00  10.0 10.00   4.00  72.42) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  15.93 +/- 3.53   0.263% *  0.0990% (0.99   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 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 = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  82.910% * 98.4786% (1.00  10.0 10.00   2.21  17.89) =  99.988%  kept
        T QB    ALA  110 - HA    ALA   61  16.32 +/- 1.99   0.226% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - HA    ALA   61   8.44 +/- 1.69   1.757% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ALA   61   7.86 +/- 0.99   1.944% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    ALA   61   8.91 +/- 3.23   5.333% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HA    ALA   61  11.87 +/- 3.11   4.141% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    ALA   61  11.16 +/- 1.63   0.900% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  12.35 +/- 2.15   0.560% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ALA   61  13.95 +/- 3.42   0.966% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  17.75 +/- 4.55   0.314% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  16.81 +/- 3.58   0.264% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.95 +/- 1.62   0.583% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.29 +/- 3.18   0.102% *  0.0518% (0.53   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 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  89.333% * 98.9510% (1.00  10.0 10.00   2.21  17.89) =  99.993%  kept
          HD3   PRO   58 - QB    ALA   61   6.49 +/- 1.06   4.078% *  0.0444% (0.45   1.0  1.00   0.02   0.87) =   0.002%
        T HA    ALA   61 - QB    ALA  110  16.32 +/- 1.99   0.243% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.002%
          HD2   PRO   68 - QB    ALA   61  10.26 +/- 1.29   1.079% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61   8.82 +/- 2.29   3.353% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110  13.20 +/- 3.00   0.923% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  14.16 +/- 2.43   0.506% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  20.05 +/- 2.49   0.128% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  16.96 +/- 2.66   0.233% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  22.13 +/- 3.64   0.124% *  0.0163% (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 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   2.67 +/- 0.23  99.215% * 99.9434% (1.00  10.0 10.00   3.00  41.00) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  15.87 +/- 2.85   0.785% *  0.0566% (0.57   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 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   2.87 +/- 0.23  97.657% * 99.7306% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HG3   MET   96 - HA    ASP-  62  15.59 +/- 3.56   1.383% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    ASP-  62  22.74 +/- 3.76   0.321% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  21.25 +/- 3.20   0.300% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  21.63 +/- 2.93   0.338% *  0.0495% (0.49   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 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   2.67 +/- 0.23  98.088% * 99.8236% (1.00  10.0 10.00   3.00  41.00) =  99.999%  kept
          HA    SER  117 - HB2   ASP-  62  12.38 +/- 1.32   1.287% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB2   ASP-  62  20.28 +/- 3.07   0.388% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  23.39 +/- 3.70   0.237% *  0.0278% (0.28   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 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  99.579% * 99.7306% (0.98  10.0 10.00   3.00  41.00) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  15.77 +/- 3.27   0.241% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  21.62 +/- 3.25   0.068% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  24.39 +/- 3.84   0.051% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  23.45 +/- 2.99   0.060% *  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   2.87 +/- 0.23  97.580% * 99.8236% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HA    SER  117 - HB3   ASP-  62  12.52 +/- 1.45   1.530% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB3   ASP-  62  20.31 +/- 3.04   0.646% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  23.14 +/- 3.44   0.245% *  0.0278% (0.27   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 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  99.577% * 99.4370% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.13 +/- 3.34   0.423% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.002%
    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 = 242.0:
    * O T HB2   LEU   63 - HA    LEU   63   2.81 +/- 0.18  84.133% * 99.1997% (1.00  10.0 10.00   6.28 242.05) =  99.985%  kept
          HB3   ASP-  44 - HA    LEU   63   8.36 +/- 2.78   6.962% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.008%
          QB    ALA  124 - HA    LEU   63  13.60 +/- 3.78   1.396% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  15.65 +/- 4.03   1.190% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   63  12.41 +/- 2.44   1.423% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    LEU   63  18.01 +/- 4.71   1.184% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  18.63 +/- 2.95   0.743% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   63  15.83 +/- 1.79   0.568% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  18.96 +/- 2.80   0.324% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  18.99 +/- 2.62   0.340% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.56 +/- 2.90   0.352% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.92 +/- 3.46   0.969% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  17.49 +/- 1.85   0.416% *  0.0174% (0.18   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 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.0:
    * O T HB3   LEU   63 - HA    LEU   63   2.42 +/- 0.21  80.378% * 99.7424% (1.00  10.0 10.00   5.98 242.05) =  99.987%  kept
          QG1   VAL   70 - HA    LEU   63   5.74 +/- 1.23  11.218% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   18 - HA    LEU   63   8.51 +/- 2.64   3.258% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   63   9.41 +/- 3.01   3.715% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU   63  11.36 +/- 1.30   1.095% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.97 +/- 2.17   0.334% *  0.0645% (0.65   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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.0:
    * O T HG    LEU   63 - HA    LEU   63   3.22 +/- 0.66  83.763% * 99.8120% (1.00  10.0 10.00   5.98 242.05) =  99.986%  kept
          QG2   VAL   24 - HA    LEU   63  17.12 +/- 3.54   9.123% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.011%
          HG3   LYS+ 112 - HA    LEU   63  14.29 +/- 3.28   3.035% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  107 - HA    LEU   63  10.74 +/- 2.46   4.078% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.14 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.751, support = 5.7, residual support = 241.7:
        T QD2   LEU   63 - HA    LEU   63   2.85 +/- 0.49  56.646% * 35.7505% (0.57 10.00   5.82 242.05) =  57.234%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.86 +/- 0.21  23.873% * 63.1462% (1.00 10.00   5.56 242.05) =  42.604%  kept
        T QD1   LEU  104 - HA    LEU   63  12.51 +/- 4.36  13.960% *  0.3575% (0.57 10.00   0.02   0.02) =   0.141%  kept
        T QD1   LEU   73 - HA    LEU   63  12.40 +/- 1.05   0.799% *  0.6315% (1.00 10.00   0.02   0.02) =   0.014%
          QD2   LEU  115 - HA    LEU   63   8.77 +/- 1.61   3.619% *  0.0527% (0.84  1.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - HA    LEU   63  16.61 +/- 2.75   0.571% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  16.36 +/- 2.55   0.532% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.13 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.914, support = 5.77, residual support = 242.0:
    *   T QD2   LEU   63 - HA    LEU   63   2.85 +/- 0.49  63.651% * 63.5438% (1.00 10.00   5.82 242.05) =  80.129%  kept
        T QD1   LEU   63 - HA    LEU   63   3.86 +/- 0.21  27.867% * 35.9756% (0.57 10.00   5.56 242.05) =  19.861%  kept
        T QD1   LEU   73 - HA    LEU   63  12.40 +/- 1.05   0.902% *  0.3598% (0.57 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HA    LEU   63   8.77 +/- 1.61   4.011% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HA    LEU   63  11.89 +/- 1.73   1.184% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  13.25 +/- 3.10   1.224% *  0.0261% (0.41  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HA    LEU   63  16.88 +/- 3.07   0.518% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.61 +/- 2.75   0.644% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.16 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.0:
    * O T HA    LEU   63 - HB2   LEU   63   2.81 +/- 0.18  98.369% * 99.2046% (1.00  10.0 10.00   6.28 242.05) =  99.990%  kept
        T HB2   HIS   22 - HB2   LEU   63  18.65 +/- 3.30   1.217% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.009%
          HA2   GLY  101 - HB2   LEU   63  21.36 +/- 3.58   0.414% *  0.0372% (0.38   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 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 = 242.0:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  83.318% * 99.7424% (1.00  10.0 10.00   6.31 242.05) =  99.989%  kept
          QG1   VAL   70 - HB2   LEU   63   6.07 +/- 1.64  13.545% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   18 - HB2   LEU   63   8.33 +/- 2.87   1.653% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   9.88 +/- 2.17   0.876% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.47 +/- 1.92   0.445% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  15.17 +/- 2.42   0.163% *  0.0645% (0.65   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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.0:
    * O T HG    LEU   63 - HB2   LEU   63   2.62 +/- 0.25  95.270% * 99.8120% (1.00  10.0 10.00   6.31 242.05) =  99.998%  kept
          QG2   VAL   24 - HB2   LEU   63  16.61 +/- 3.21   0.963% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB2   LEU   63  13.57 +/- 3.03   1.171% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63  10.11 +/- 2.41   2.597% *  0.0154% (0.15   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 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.898, support = 6.11, residual support = 241.7:
    * O T QD1   LEU   63 - HB2   LEU   63   2.33 +/- 0.27  60.368% * 58.2766% (1.00  10.0 10.00   6.07 242.05) =  76.414%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.00 +/- 0.31  32.717% * 32.9936% (0.57  10.0 10.00   6.28 242.05) =  23.447%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.83 +/- 1.59   0.645% *  8.2943% (1.00   1.0 10.00   0.28   0.02) =   0.116%  kept
        T QD1   LEU  104 - HB2   LEU   63  12.50 +/- 3.61   2.749% *  0.3299% (0.57   1.0 10.00   0.02   0.02) =   0.020%
          QD2   LEU  115 - HB2   LEU   63   7.86 +/- 1.73   3.000% *  0.0487% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   LEU   63  15.91 +/- 2.87   0.248% *  0.0467% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  15.63 +/- 2.63   0.272% *  0.0102% (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 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.778, support = 6.17, residual support = 241.9:
      O T QD1   LEU   63 - HB2   LEU   63   2.33 +/- 0.27  61.344% * 34.3408% (0.57  10.0 10.00   6.07 242.05) =  51.061%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.00 +/- 0.31  33.232% * 60.6563% (1.00  10.0 10.00   6.28 242.05) =  48.859%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.83 +/- 1.59   0.655% *  4.8876% (0.57   1.0 10.00   0.28   0.02) =   0.078%
          QD2   LEU  115 - HB2   LEU   63   7.86 +/- 1.73   3.046% *  0.0151% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB2   LEU   63  11.64 +/- 2.18   0.623% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.84 +/- 3.01   0.574% *  0.0249% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.15 +/- 3.04   0.273% *  0.0249% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.91 +/- 2.87   0.252% *  0.0135% (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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.0:
    * O T HA    LEU   63 - HB3   LEU   63   2.42 +/- 0.21  99.178% * 99.8862% (1.00  10.0 10.00   5.98 242.05) =  99.999%  kept
          HB2   HIS   22 - HB3   LEU   63  19.26 +/- 3.11   0.517% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  20.92 +/- 4.23   0.304% *  0.0375% (0.38   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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.0:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  92.864% * 99.1997% (1.00  10.0 10.00   6.31 242.05) =  99.993%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.77 +/- 2.69   4.553% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HB3   LEU   63  14.94 +/- 4.50   0.491% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  11.89 +/- 2.16   0.406% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  14.11 +/- 3.33   0.284% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.15 +/- 3.53   0.185% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  17.58 +/- 4.50   0.251% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  15.39 +/- 1.67   0.167% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.51 +/- 2.91   0.099% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  18.63 +/- 3.12   0.106% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  15.07 +/- 4.26   0.382% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.10 +/- 3.19   0.095% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  16.87 +/- 1.74   0.118% *  0.0174% (0.18   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 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 = 242.0:
    * O T HG    LEU   63 - HB3   LEU   63   2.91 +/- 0.16  91.019% * 99.8120% (1.00  10.0 10.00   6.00 242.05) =  99.995%  kept
          QG2   VAL   24 - HB3   LEU   63  16.83 +/- 3.34   2.320% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HB3   LEU   63  14.17 +/- 3.43   2.246% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - HB3   LEU   63  10.26 +/- 2.96   4.416% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 5.84, residual support = 241.5:
    * O T QD1   LEU   63 - HB3   LEU   63   2.44 +/- 0.31  44.699% * 54.2748% (1.00  10.0 10.00   5.78 242.05) =  63.416%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.46 +/- 0.41  45.261% * 30.7279% (0.57  10.0 10.00   5.98 242.05) =  36.355%  kept
        T QD1   LEU   73 - HB3   LEU   63  12.10 +/- 1.63   0.449% * 14.5916% (1.00   1.0 10.00   0.54   0.02) =   0.171%  kept
        T QD1   LEU  104 - HB3   LEU   63  12.16 +/- 4.08   6.909% *  0.3073% (0.57   1.0 10.00   0.02   0.02) =   0.055%
          QD2   LEU  115 - HB3   LEU   63   8.49 +/- 2.01   2.279% *  0.0453% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB3   LEU   63  16.28 +/- 2.92   0.194% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  15.90 +/- 2.82   0.209% *  0.0095% (0.18   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 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.845, support = 5.9, residual support = 241.8:
    * O T QD2   LEU   63 - HB3   LEU   63   2.46 +/- 0.41  48.290% * 58.1306% (1.00  10.0 10.00   5.98 242.05) =  64.298%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.44 +/- 0.31  47.231% * 32.9109% (0.57  10.0 10.00   5.78 242.05) =  35.604%  kept
        T QD1   LEU   73 - HB3   LEU   63  12.10 +/- 1.63   0.474% *  8.8480% (0.57   1.0 10.00   0.54   0.02) =   0.096%
          QD2   LEU  115 - HB3   LEU   63   8.49 +/- 2.01   2.407% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   63  11.29 +/- 2.46   0.609% *  0.0353% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  12.64 +/- 3.47   0.612% *  0.0239% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.58 +/- 3.03   0.172% *  0.0239% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.28 +/- 2.92   0.206% *  0.0129% (0.22   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 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.0:
    * O T HA    LEU   63 - HG    LEU   63   3.22 +/- 0.66  95.701% * 99.8862% (1.00  10.0 10.00   5.98 242.05) =  99.997%  kept
          HB2   HIS   22 - HG    LEU   63  18.91 +/- 3.67   3.562% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - HG    LEU   63  20.75 +/- 3.87   0.737% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.0:
    * O T HB2   LEU   63 - HG    LEU   63   2.62 +/- 0.25  82.492% * 99.1997% (1.00  10.0 10.00   6.31 242.05) =  99.983%  kept
          HB3   ASP-  44 - HG    LEU   63   7.58 +/- 2.56   8.889% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.011%
          HG    LEU   98 - HG    LEU   63  14.80 +/- 4.16   1.460% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HG    LEU   63  17.25 +/- 4.56   1.786% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  13.81 +/- 3.00   0.962% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HG    LEU   63  11.97 +/- 2.49   1.278% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   63  15.57 +/- 1.74   0.508% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  18.76 +/- 3.36   0.350% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  17.90 +/- 3.12   0.366% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  18.77 +/- 3.04   0.302% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  18.78 +/- 2.83   0.380% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  15.12 +/- 3.81   0.867% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  17.05 +/- 1.69   0.360% *  0.0174% (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 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.0:
    * O T HB3   LEU   63 - HG    LEU   63   2.91 +/- 0.16  66.016% * 99.7424% (1.00  10.0 10.00   6.00 242.05) =  99.971%  kept
          QG1   VAL   70 - HG    LEU   63   5.28 +/- 1.18  18.218% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.016%
          QG1   VAL   18 - HG    LEU   63   8.14 +/- 2.51   9.813% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.010%
          QD1   LEU  123 - HG    LEU   63   9.64 +/- 2.61   3.785% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HG    LEU   63  10.84 +/- 1.67   1.536% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HG    LEU   63  15.55 +/- 2.68   0.632% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 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 = 0.842, support = 5.63, residual support = 241.9:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  44.994% * 63.0834% (1.00  10.0 10.00   5.54 242.05) =  63.791%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  45.021% * 35.7149% (0.57  10.0 10.00   5.80 242.05) =  36.137%  kept
        T QD1   LEU  104 - HG    LEU   63  11.91 +/- 4.04   8.225% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.066%
        T QD1   LEU   73 - HG    LEU   63  11.85 +/- 1.70   0.313% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HG    LEU   63   8.57 +/- 1.87   1.155% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   83 - HG    LEU   63  16.07 +/- 2.89   0.150% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.45 +/- 3.17   0.143% *  0.0505% (0.80   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 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.843, support = 5.71, residual support = 242.0:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.606% * 63.5438% (1.00  10.0 10.00   5.80 242.05) =  63.856%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  48.589% * 35.9756% (0.57  10.0 10.00   5.54 242.05) =  36.140%  kept
        T QD1   LEU   73 - HG    LEU   63  11.85 +/- 1.70   0.337% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HG    LEU   63   8.57 +/- 1.87   1.237% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.19 +/- 2.14   0.459% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.60 +/- 3.35   0.458% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.73 +/- 3.56   0.161% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.45 +/- 3.17   0.153% *  0.0141% (0.22   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 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 5.52, residual support = 239.9:
    *   T HA    LEU   63 - QD1   LEU   63   3.86 +/- 0.21  57.297% * 94.0348% (1.00 10.00   5.56 242.05) =  99.101%  kept
          HB2   HIS   22 - QD1   LEU   73   7.64 +/- 1.34   9.400% *  4.6259% (0.76  1.00   1.29   0.02) =   0.800%  kept
        T HA    LEU   63 - QD1   LEU  104  12.51 +/- 4.36  13.832% *  0.2302% (0.24 10.00   0.02   0.02) =   0.059%
        T HA    LEU   63 - QD1   LEU   73  12.40 +/- 1.05   1.930% *  0.9403% (1.00 10.00   0.02   0.02) =   0.033%
          HB2   HIS   22 - QD1   LEU   63  16.02 +/- 2.97   2.090% *  0.0719% (0.76  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - QD1   LEU   73  14.20 +/- 3.71   2.602% *  0.0353% (0.38  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU  104   7.37 +/- 1.01  10.161% *  0.0086% (0.09  1.00   0.02   0.02) =   0.002%
          HB2   HIS   22 - QD1   LEU  104  18.52 +/- 4.08   1.922% *  0.0176% (0.19  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   63  17.45 +/- 3.35   0.766% *  0.0353% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 6.03, residual support = 239.7:
    * O T HB2   LEU   63 - QD1   LEU   63   2.33 +/- 0.27  44.475% * 86.0743% (1.00  10.0 10.00   6.07 242.05) =  99.002%  kept
          HB2   LEU   31 - QD1   LEU   73   7.22 +/- 2.49   2.294% *  7.5078% (0.90   1.0  1.00   1.95   2.00) =   0.445%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.21 +/- 0.57  10.197% *  1.1197% (0.14   1.0  1.00   1.88  18.65) =   0.295%  kept
          HG    LEU   98 - QD1   LEU  104   5.62 +/- 1.02   5.447% *  1.0693% (0.20   1.0  1.00   1.27  10.64) =   0.151%  kept
          HB3   ASP-  44 - QD1   LEU   63   6.22 +/- 2.79  14.070% *  0.0844% (0.98   1.0  1.00   0.02   0.02) =   0.031%
        T HB3   LEU   80 - QD1   LEU   73  11.22 +/- 4.28   1.230% *  0.8437% (0.98   1.0 10.00   0.02   0.02) =   0.027%
        T HB2   LEU   63 - QD1   LEU  104  12.50 +/- 3.61   2.041% *  0.2107% (0.24   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   LEU   63 - QD1   LEU   73  11.83 +/- 1.59   0.481% *  0.8607% (1.00   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LEU   80 - QD1   LEU   63  15.44 +/- 3.20   0.232% *  0.8437% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - QD1   LEU   73   8.95 +/- 1.93   1.537% *  0.0844% (0.98   1.0  1.00   0.02   1.48) =   0.003%
          HB3   PRO   93 - QD1   LEU   73  13.79 +/- 2.66   2.195% *  0.0557% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD1   LEU   73  10.04 +/- 2.85   1.271% *  0.0689% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU   63  12.35 +/- 3.85   1.000% *  0.0689% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   63   9.50 +/- 2.81   1.090% *  0.0557% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD1   LEU   63  15.01 +/- 3.19   0.651% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   63  11.95 +/- 2.33   0.535% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.82 +/- 2.05   0.617% *  0.0591% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  18.15 +/- 2.81   0.137% *  0.2065% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU  104  11.96 +/- 3.98   1.450% *  0.0189% (0.22   1.0  1.00   0.02   0.30) =   0.001%
          QB    ALA   84 - QD1   LEU   63  12.70 +/- 2.12   0.346% *  0.0591% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   73  13.29 +/- 2.75   0.404% *  0.0487% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   63  14.64 +/- 3.56   0.368% *  0.0487% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  15.21 +/- 3.34   0.217% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  12.25 +/- 4.09   1.047% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  20.43 +/- 3.41   0.192% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.33 +/- 5.70   0.662% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  13.63 +/- 2.29   0.288% *  0.0386% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.59 +/- 2.42   0.141% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  11.94 +/- 2.00   0.491% *  0.0207% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.83 +/- 2.75   0.232% *  0.0386% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.56 +/- 2.01   0.569% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.54 +/- 2.49   0.472% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  11.36 +/- 4.14   0.581% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.63 +/- 0.69   1.631% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.39 +/- 2.51   0.380% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  13.83 +/- 2.09   0.269% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.38 +/- 1.53   0.203% *  0.0136% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.73 +/- 3.04   0.141% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  13.13 +/- 2.38   0.415% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 5.75, residual support = 240.4:
    * O T HB3   LEU   63 - QD1   LEU   63   2.44 +/- 0.31  44.593% * 93.2305% (1.00  10.0 10.00   5.78 242.05) =  99.302%  kept
          QG1   VAL   18 - QD1   LEU   73   6.38 +/- 2.63   4.875% *  5.1326% (0.69   1.0  1.00   1.60   0.94) =   0.598%  kept
        T HB3   LEU   63 - QD1   LEU  104  12.16 +/- 4.08   9.552% *  0.2282% (0.24   1.0 10.00   0.02   0.02) =   0.052%
          QG1   VAL   70 - QD1   LEU   63   4.81 +/- 1.37  13.250% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.017%
        T HB3   LEU   63 - QD1   LEU   73  12.10 +/- 1.63   0.631% *  0.9323% (1.00   1.0 10.00   0.02   0.02) =   0.014%
          QG1   VAL   18 - QD1   LEU   63   7.24 +/- 1.85   4.537% *  0.0640% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - QD1   LEU   63   8.34 +/- 2.15   2.385% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU  104   9.49 +/- 3.76   9.059% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QD1   LEU   73   9.29 +/- 0.85   1.055% *  0.0528% (0.57   1.0  1.00   0.02   0.67) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   8.17 +/- 1.05   1.711% *  0.0318% (0.34   1.0  1.00   0.02   1.01) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   8.03 +/- 3.55   3.680% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   63  12.54 +/- 3.16   0.701% *  0.0603% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.52 +/- 1.78   1.135% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  14.42 +/- 2.67   0.274% *  0.0603% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.29 +/- 2.60   0.662% *  0.0157% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  11.70 +/- 4.31   1.271% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  15.21 +/- 1.96   0.232% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.10 +/- 0.73   0.398% *  0.0148% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.27, residual support = 226.3:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  70.238% * 56.7589% (1.00  10.0 10.00   5.54 242.05) =  93.419%  kept
        T QG2   VAL   24 - QD1   LEU   73   5.63 +/- 1.66   6.839% * 39.3873% (0.97   1.0 10.00   1.44   3.30) =   6.312%  kept
        T QG1   VAL  107 - QD1   LEU   63   8.20 +/- 3.12   3.782% *  2.2590% (0.15   1.0 10.00   0.52   0.02) =   0.200%  kept
        T HG    LEU   63 - QD1   LEU  104  11.91 +/- 4.04  11.203% *  0.1389% (0.24   1.0 10.00   0.02   0.02) =   0.036%
        T QG2   VAL   24 - QD1   LEU   63  13.90 +/- 3.07   1.069% *  0.5478% (0.97   1.0 10.00   0.02   0.02) =   0.014%
        T QG2   VAL   24 - QD1   LEU  104  13.13 +/- 4.09   2.521% *  0.1341% (0.24   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   63 - QD1   LEU   73  11.85 +/- 1.70   0.493% *  0.5676% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   VAL  107 - QD1   LEU   73  12.66 +/- 2.35   0.634% *  0.0876% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  18.07 +/- 4.23   1.191% *  0.0434% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   63  11.80 +/- 3.03   0.753% *  0.0434% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   9.07 +/- 1.20   1.050% *  0.0214% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU  104  16.63 +/- 2.67   0.228% *  0.0106% (0.19   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 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 = 5.82, residual support = 242.0:
    *   T HA    LEU   63 - QD2   LEU   63   2.85 +/- 0.49  97.345% * 99.8862% (1.00 10.00   5.82 242.05) =  99.999%  kept
          HB2   HIS   22 - QD2   LEU   63  16.03 +/- 2.72   0.962% *  0.0763% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD2   LEU   63  16.55 +/- 3.59   1.694% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 2.81 A violated in 0 structures by 0.23 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 241.7:
    * O T HB2   LEU   63 - QD2   LEU   63   3.00 +/- 0.31  65.688% * 97.9868% (1.00  10.0 10.00   6.28 242.05) =  99.871%  kept
          HB3   ASP-  44 - QD2   LEU   63   6.60 +/- 2.19  14.395% *  0.4543% (0.98   1.0  1.00   0.09   0.02) =   0.101%  kept
        T HB3   LEU   80 - QD2   LEU   63  15.66 +/- 2.75   0.619% *  0.9605% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   98 - QD2   LEU   63  11.66 +/- 3.95   5.306% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA  124 - QD2   LEU   63  11.66 +/- 3.13   2.177% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD2   LEU   63  10.32 +/- 1.99   2.121% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD2   LEU   63  14.57 +/- 2.87   1.477% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD2   LEU   63  13.69 +/- 4.06   2.287% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - QD2   LEU   63  13.05 +/- 1.66   0.922% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD2   LEU   63  15.89 +/- 3.04   0.742% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  12.17 +/- 3.89   2.810% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  15.03 +/- 2.31   0.718% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.16 +/- 1.70   0.738% *  0.0172% (0.18   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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.0:
    * O T HB3   LEU   63 - QD2   LEU   63   2.46 +/- 0.41  59.695% * 99.7424% (1.00  10.0 10.00   5.98 242.05) =  99.963%  kept
          QG1   VAL   70 - QD2   LEU   63   3.86 +/- 1.11  27.731% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.026%
          QG1   VAL   18 - QD2   LEU   63   6.86 +/- 1.97   6.278% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - QD2   LEU   63   8.31 +/- 2.58   3.986% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU   63   8.86 +/- 1.26   1.790% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD2   LEU   63  12.91 +/- 2.55   0.520% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.8, residual support = 241.9:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.01  89.811% * 98.8183% (1.00  10.0 10.00   5.80 242.05) =  99.936%  kept
        T QG2   VAL   24 - QD2   LEU   63  13.76 +/- 3.16   5.261% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.056%
        T QG1   VAL  107 - QD2   LEU   63   8.55 +/- 2.78   3.482% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - QD2   LEU   63  12.51 +/- 2.90   1.445% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.66 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 = 20.7:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.01  99.467% * 99.9825% (1.00  10.0 10.00   2.00  20.69) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  13.73 +/- 2.13   0.533% *  0.0175% (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 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.949, support = 2.1, residual support = 22.8:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  80.651% * 72.6945% (1.00  10.0 10.00   2.00  20.69) =  91.856%  kept
        T HB2   PHE   72 - QB    ALA   64   4.02 +/- 0.65  19.053% * 27.2831% (0.38   1.0 10.00   3.20  46.06) =   8.144%  kept
          HB3   ASN   35 - QB    ALA   64  14.65 +/- 1.82   0.295% *  0.0224% (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 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 = 0.917, support = 6.56, residual support = 154.7:
    * O T QB    LYS+  65 - HA    LYS+  65   2.40 +/- 0.13  77.070% * 86.3772% (0.92  10.0 10.00   6.58 156.54) =  98.576%  kept
          QB    LYS+  66 - HA    LYS+  65   5.31 +/- 0.18   7.268% * 13.1310% (0.52   1.0  1.00   5.37  30.36) =   1.413%  kept
          HB3   GLN   17 - HA    LYS+  65   9.30 +/- 4.57   9.557% *  0.0524% (0.56   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - HA    LYS+  65  10.89 +/- 1.89   1.345% *  0.0862% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - HA    LYS+ 121  15.22 +/- 1.70   0.349% *  0.0975% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  65  16.76 +/- 3.70   0.399% *  0.0721% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  13.25 +/- 1.73   0.586% *  0.0324% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  19.87 +/- 2.24   0.167% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  16.84 +/- 6.13   0.554% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  18.08 +/- 2.30   0.225% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  17.98 +/- 5.62   0.473% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  14.02 +/- 3.88   0.831% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  17.65 +/- 3.54   0.325% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  17.66 +/- 4.45   0.296% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  16.90 +/- 5.12   0.423% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.17 +/- 4.81   0.132% *  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 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.842, support = 5.5, residual support = 157.1:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.91 +/- 0.72  32.014% * 53.0514% (0.92  10.0 10.00   5.27 156.54) =  84.714%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.00 +/- 0.93   4.288% * 38.5232% (0.67   1.0 10.00   5.70  30.36) =   8.240%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.96 +/- 0.46  13.399% *  5.9339% (0.10   1.0 10.00   7.78 313.21) =   3.966%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.48 +/- 0.18  40.986% *  1.4928% (0.03  10.0 10.00   8.20 313.21) =   3.052%  kept
        T HD3   LYS+  74 - HA    LYS+  65   8.46 +/- 3.06   3.681% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.015%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 1.82   0.181% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HA    LYS+  65   8.44 +/- 2.42   2.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HA    LYS+  65  12.40 +/- 1.69   0.402% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - HA    LYS+  65  17.01 +/- 1.70   0.149% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  15.22 +/- 4.18   0.452% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  18.30 +/- 1.90   0.120% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  14.03 +/- 1.30   0.238% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.96 +/- 3.38   0.177% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.40 +/- 3.81   0.201% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  14.43 +/- 6.79   0.799% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.20 +/- 3.58   0.124% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.06 +/- 2.58   0.079% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.16 +/- 3.67   0.144% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  15.56 +/- 5.50   0.395% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.51 +/- 2.00   0.165% *  0.0010% (0.02   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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.914, support = 5.38, residual support = 158.0:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.93 +/- 0.56  53.590% * 94.0974% (0.92  10.0 10.00   5.37 156.54) =  99.000%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.37 +/- 0.74  23.055% *  2.1015% (0.02   1.0 10.00   6.67 313.21) =   0.951%  kept
        T HG3   LYS+  33 - HA    LYS+  65  15.58 +/- 3.52   1.061% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   LYS+ 106 - HA    LYS+  65  18.22 +/- 2.34   0.346% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL   42 - HA    LYS+  65  10.04 +/- 1.55   2.677% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   73 - HA    LYS+  65   9.73 +/- 1.30   2.251% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    LYS+  65  23.40 +/- 3.03   0.179% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HA    LYS+  65   8.44 +/- 2.28   5.117% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    LYS+ 121  14.56 +/- 4.86   0.918% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  16.24 +/- 2.36   0.444% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    LYS+  65  14.57 +/- 3.78   2.178% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  17.84 +/- 2.95   0.451% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  15.84 +/- 2.84   0.496% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  20.44 +/- 6.76   0.308% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  18.08 +/- 1.90   0.292% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  14.80 +/- 2.31   0.722% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+  65  15.57 +/- 3.01   0.759% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.32 +/- 3.88   0.168% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  16.35 +/- 3.06   0.615% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.97 +/- 4.24   1.002% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.64 +/- 1.21   0.485% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  15.54 +/- 4.68   0.663% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.88 +/- 3.18   0.268% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  16.90 +/- 3.19   0.599% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  17.22 +/- 5.54   0.526% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.94 +/- 3.97   0.128% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.23 +/- 3.48   0.416% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  20.12 +/- 2.69   0.284% *  0.0030% (0.03   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 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.799, support = 5.34, residual support = 178.1:
    *   T QD    LYS+  65 - HA    LYS+  65   3.54 +/- 0.45  30.554% * 84.9873% (0.92   1.0 10.00   4.87 156.54) =  84.881%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.99 +/- 0.04  46.187% *  9.5696% (0.10  10.0 10.00   8.30 313.21) =  14.448%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.33 +/- 0.56   8.676% *  2.2099% (0.04   1.0 10.00   1.35   2.59) =   0.627%  kept
          HD2   LYS+  74 - HA    LYS+  65   8.12 +/- 2.97   8.042% *  0.0481% (0.52   1.0  1.00   0.02   0.02) =   0.013%
        T HB2   LYS+ 121 - HA    LYS+  65  15.76 +/- 1.66   0.355% *  0.8480% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HA    LYS+  65  17.98 +/- 2.48   0.296% *  0.7845% (0.85   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 102 - HA    LYS+  65  21.01 +/- 3.14   0.304% *  0.4812% (0.52   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU  123 - HA    LYS+  65  17.29 +/- 3.25   0.319% *  0.2899% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 121  16.93 +/- 2.31   0.368% *  0.0959% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  65  11.64 +/- 2.00   1.237% *  0.0236% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 121  18.48 +/- 4.08   0.314% *  0.0885% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  23.81 +/- 3.05   0.114% *  0.2119% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  65  18.21 +/- 3.17   0.284% *  0.0842% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  16.48 +/- 3.64   0.671% *  0.0319% (0.35   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  18.28 +/- 5.91   0.392% *  0.0543% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  23.14 +/- 2.99   0.129% *  0.1311% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.91 +/- 2.25   0.208% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  18.36 +/- 1.93   0.219% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.79 +/- 3.54   0.311% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.73 +/- 2.05   0.546% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.72 +/- 3.60   0.377% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.34 +/- 3.31   0.095% *  0.0095% (0.10   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 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.92, support = 4.7, residual support = 151.2:
    *   T QE    LYS+  65 - HA    LYS+  65   4.43 +/- 0.56  72.218% * 84.3556% (0.92 10.00   4.85 156.54) =  96.602%  kept
        T QE    LYS+  33 - HA    LYS+  65  14.31 +/- 3.80  15.157% * 14.0012% (0.83 10.00   0.37   0.02) =   3.365%  kept
        T HB2   ASN   28 - HA    LYS+  65  18.83 +/- 1.87   1.279% *  0.8141% (0.89 10.00   0.02   0.02) =   0.017%
        T HB2   ASN   35 - HA    LYS+  65  20.22 +/- 2.80   0.981% *  0.5116% (0.56 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  65 - HA    LYS+ 121  17.44 +/- 2.49   2.264% *  0.0952% (0.10 10.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    LYS+  65  20.01 +/- 3.26   1.416% *  0.0779% (0.85  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    LYS+  65  15.87 +/- 3.20   2.781% *  0.0317% (0.35  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LYS+ 121  21.77 +/- 3.58   0.988% *  0.0854% (0.09 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    LYS+ 121  26.63 +/- 4.76   0.980% *  0.0092% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  23.94 +/- 4.78   0.866% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  24.90 +/- 3.38   0.517% *  0.0088% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  26.19 +/- 3.69   0.553% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 6.58, residual support = 156.5:
    * O T HA    LYS+  65 - QB    LYS+  65   2.40 +/- 0.13  84.881% * 98.7802% (0.92  10.0 10.00   6.58 156.54) =  99.984%  kept
          QB    SER   48 - QB    LYS+  65  13.42 +/- 4.62   8.556% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - QB    LYS+  65  15.22 +/- 1.70   0.391% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QB    LYS+  65  12.63 +/- 3.90   1.434% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QB    LYS+  65  12.80 +/- 3.60   1.558% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  13.79 +/- 2.61   0.613% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QB    LYS+  65  15.36 +/- 3.63   0.572% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  18.30 +/- 3.13   0.252% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  14.58 +/- 3.40   0.671% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.07 +/- 1.19   0.457% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  18.66 +/- 2.61   0.368% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  19.30 +/- 3.71   0.247% *  0.0187% (0.18   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 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 = 0.954, support = 5.67, residual support = 135.4:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.36 +/- 0.15  68.697% * 57.5064% (1.00  10.0 10.00   5.71 156.54) =  83.244%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.81 +/- 1.25  19.032% * 41.7582% (0.73   1.0 10.00   5.52  30.36) =  16.746%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.42 +/- 1.50   0.439% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QB    LYS+  65   8.53 +/- 1.95   2.372% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QB    LYS+  65   8.02 +/- 2.65   7.358% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  65  12.31 +/- 1.52   0.566% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QB    LYS+  65  16.66 +/- 3.25   0.552% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.84 +/- 1.28   0.413% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.57 +/- 1.32   0.321% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.43 +/- 2.46   0.249% *  0.0101% (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 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 156.5:
    * O T QD    LYS+  65 - QB    LYS+  65   2.12 +/- 0.13  89.980% * 97.4795% (1.00  10.0 10.00   5.36 156.54) =  99.986%  kept
        T HG3   PRO   93 - QB    LYS+  65  13.64 +/- 3.29   0.815% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - QB    LYS+  65   7.93 +/- 2.48   5.011% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - QB    LYS+  65  19.44 +/- 3.10   0.495% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QB    LYS+  65  17.42 +/- 2.28   0.224% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QB    LYS+  65   9.07 +/- 1.91   1.968% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  13.44 +/- 1.37   0.420% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.91 +/- 2.74   0.141% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  16.50 +/- 3.06   0.320% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.31 +/- 2.66   0.152% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.55 +/- 2.95   0.474% *  0.0333% (0.34   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 5.24, residual support = 154.1:
    *   T QE    LYS+  65 - QB    LYS+  65   3.20 +/- 0.50  84.189% * 89.3568% (1.00 10.00   5.32 156.54) =  98.407%  kept
        T QE    LYS+  33 - QB    LYS+  65  14.50 +/- 3.30  11.705% * 10.3867% (0.90 10.00   0.26   0.02) =   1.590%  kept
          HB2   ASP-  78 - QB    LYS+  65  13.90 +/- 3.09   2.176% *  0.0335% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  65  18.12 +/- 3.19   0.734% *  0.0825% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - QB    LYS+  65  18.24 +/- 2.06   0.603% *  0.0862% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  19.80 +/- 2.44   0.593% *  0.0542% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 156.5:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.91 +/- 0.72  84.592% * 97.8884% (0.92  10.0 10.00   5.27 156.54) =  99.970%  kept
        T HA    ALA  120 - HG2   LYS+  65  16.76 +/- 3.12   1.290% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HA    LYS+ 121 - HG2   LYS+  65  18.30 +/- 1.90   0.597% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HG2   LYS+  65  13.97 +/- 4.00   2.203% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - HG2   LYS+  65  14.62 +/- 4.90   2.427% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+  65  14.61 +/- 4.15   2.095% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HG2   LYS+  65  17.21 +/- 4.06   2.181% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG2   LYS+  65  16.35 +/- 3.83   1.898% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  20.11 +/- 3.68   0.517% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HG2   LYS+  65  16.86 +/- 1.70   0.905% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  20.48 +/- 3.29   0.719% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  21.50 +/- 4.30   0.576% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.974, support = 5.63, residual support = 149.1:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.36 +/- 0.15  83.964% * 63.6862% (1.00  10.0 10.00   5.71 156.54) =  94.093%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.85 +/- 0.99   9.302% * 36.0562% (0.57   1.0 10.00   4.33  30.36) =   5.902%  kept
          HB3   GLN   17 - HG2   LYS+  65  10.75 +/- 4.21   4.349% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG2   LYS+  65  12.90 +/- 1.84   0.727% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG2   LYS+  65  15.94 +/- 4.09   0.829% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG2   LYS+  65  14.86 +/- 2.10   0.467% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.16 +/- 2.18   0.148% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  19.26 +/- 2.21   0.213% *  0.0159% (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 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 = 0.999, support = 4.53, residual support = 156.3:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.38 +/- 0.14  78.907% * 96.4735% (1.00  10.0 10.00   4.54 156.54) =  99.874%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   8.23 +/- 3.00  16.319% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.117%  kept
        T HB2   LYS+ 121 - HG2   LYS+  65  16.30 +/- 1.54   0.289% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HG2   LYS+  65  19.81 +/- 2.53   0.171% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+  65  22.27 +/- 3.10   0.161% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  65  10.51 +/- 2.63   2.059% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+  65  15.60 +/- 4.04   1.192% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  65  17.83 +/- 3.72   0.294% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.24 +/- 3.03   0.108% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.59 +/- 2.81   0.114% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  17.57 +/- 3.55   0.385% *  0.0329% (0.34   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 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.34, residual support = 153.3:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.57 +/- 0.39  82.851% * 89.3568% (1.00  10.0 10.00   4.42 156.54) =  97.904%  kept
        T QE    LYS+  33 - HG2   LYS+  65  15.68 +/- 4.24  15.247% * 10.3867% (0.90   1.0 10.00   0.26   0.02) =   2.094%  kept
          HB2   ASP-  86 - HG2   LYS+  65  19.82 +/- 3.77   0.516% *  0.0825% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG2   LYS+  65  14.85 +/- 3.56   0.942% *  0.0335% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  19.54 +/- 2.83   0.257% *  0.0862% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  21.96 +/- 2.99   0.187% *  0.0542% (0.61   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 156.4:
    *   T HA    LYS+  65 - QD    LYS+  65   3.54 +/- 0.45  44.835% * 96.9449% (0.92 10.00   4.87 156.54) =  99.938%  kept
        T HA    LYS+ 121 - QD    LYS+  65  16.93 +/- 2.31   0.732% *  0.5946% (0.57 10.00   0.02   0.02) =   0.010%
          QB    SER   48 - QD    LYS+  65  13.24 +/- 4.78   4.922% *  0.0803% (0.76  1.00   0.02   0.02) =   0.009%
          HB    THR   94 - QD    LYS+  65  14.01 +/- 3.97   3.932% *  0.0679% (0.65  1.00   0.02   0.02) =   0.006%
          HA    ALA  120 - QD    LYS+  65  15.29 +/- 3.28   2.065% *  0.0993% (0.95  1.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - QD    LYS+  65  13.15 +/- 4.12   2.021% *  0.1014% (0.97  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - QD    LYS+ 102  21.01 +/- 3.14   0.646% *  0.2450% (0.23 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+ 102  18.28 +/- 5.91   0.675% *  0.1503% (0.14 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+  38  17.98 +/- 2.48   0.542% *  0.1771% (0.17 10.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    LYS+  65  15.61 +/- 3.75   1.677% *  0.0511% (0.49  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - QD    LYS+  65  14.99 +/- 3.63   2.186% *  0.0358% (0.34  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD    LYS+  65  18.65 +/- 4.02   0.662% *  0.1014% (0.97  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+  38  18.48 +/- 4.08   0.494% *  0.1086% (0.10 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  18.91 +/- 2.25   0.342% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  23.81 +/- 3.05   0.200% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  38  13.81 +/- 3.44   2.571% *  0.0185% (0.18  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  23.14 +/- 2.99   0.235% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  18.36 +/- 1.93   0.369% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD    LYS+  65  15.50 +/- 1.88   1.261% *  0.0262% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 111  19.80 +/- 4.43   0.857% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.81 +/- 4.96   0.767% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  19.43 +/- 3.15   0.844% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   9.87 +/- 1.45   2.590% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  19.49 +/- 4.44   1.046% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.96 +/- 1.30   3.774% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  15.20 +/- 2.05   0.781% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.37 +/- 1.22   2.928% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  20.08 +/- 4.53   0.608% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.69 +/- 2.01   0.620% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  21.87 +/- 4.92   0.415% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  18.01 +/- 1.44   0.394% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  20.80 +/- 4.60   0.373% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  14.54 +/- 1.72   0.888% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  15.94 +/- 5.85   1.681% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  29.58 +/- 5.98   0.872% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.96 +/- 4.72   0.886% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  19.32 +/- 2.48   0.342% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  18.11 +/- 4.57   0.523% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  17.46 +/- 1.15   0.425% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  20.53 +/- 3.58   0.350% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.72 +/- 3.83   0.312% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.48 +/- 4.21   0.920% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.91 +/- 2.03   0.360% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.69 +/- 4.05   0.552% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  23.55 +/- 3.57   0.221% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.80 +/- 3.45   0.077% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  17.74 +/- 4.87   0.839% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.13 +/- 3.76   0.833% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.18 +/- 1.71   0.281% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.21 +/- 2.43   0.511% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  18.73 +/- 3.89   1.047% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  25.30 +/- 3.03   0.193% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  28.02 +/- 4.55   0.417% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  32.38 +/- 3.78   0.075% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  27.89 +/- 3.99   0.144% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.75 +/- 3.90   0.178% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.14 +/- 2.27   0.322% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  31.84 +/- 3.36   0.078% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.37 +/- 3.38   0.222% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  32.20 +/- 3.49   0.084% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.13 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.867, support = 5.24, residual support = 156.0:
    * O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.13  45.029% * 70.0481% (1.00  10.0 10.00   5.36 156.54) =  82.034%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.28 +/- 0.29  37.787% * 17.3543% (0.25  10.0 10.00   4.75 160.24) =  17.055%  kept
          QB    LYS+  66 - QD    LYS+  65   5.24 +/- 0.81   3.696% *  8.5806% (0.57   1.0  1.00   4.33  30.36) =   0.825%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.66 +/- 1.25   2.464% *  0.8617% (0.06   1.0  1.00   3.90  23.36) =   0.055%
        T HG2   PRO   93 - QD    LYS+  65  14.88 +/- 4.03   1.092% *  0.5851% (0.84   1.0 10.00   0.02   0.02) =   0.017%
          HB3   GLN   17 - QD    LYS+  65  10.27 +/- 4.18   1.900% *  0.0425% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   93 - HD2   LYS+ 111  11.18 +/- 3.49   0.740% *  0.0896% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  38  12.24 +/- 5.04   0.526% *  0.1254% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  65  19.93 +/- 2.15   0.088% *  0.6866% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - QD    LYS+ 102  19.44 +/- 3.10   0.261% *  0.1770% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  14.65 +/- 1.70   0.167% *  0.2629% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  12.04 +/- 3.12   0.498% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.64 +/- 1.24   0.470% *  0.0480% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.83 +/- 1.72   0.274% *  0.0699% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.83 +/- 4.06   1.725% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  17.42 +/- 2.28   0.113% *  0.1280% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111  11.82 +/- 3.86   0.950% *  0.0145% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.91 +/- 2.74   0.069% *  0.1734% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.18 +/- 2.12   0.056% *  0.1479% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.31 +/- 2.66   0.075% *  0.1073% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.93 +/- 3.63   0.069% *  0.1052% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.48 +/- 2.17   0.503% *  0.0128% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  24.59 +/- 2.87   0.049% *  0.1069% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  16.59 +/- 3.93   0.133% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.40 +/- 2.26   0.100% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  16.07 +/- 3.19   0.210% *  0.0078% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  24.04 +/- 2.56   0.036% *  0.0403% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  22.29 +/- 3.79   0.067% *  0.0170% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.85 +/- 4.41   0.104% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.70 +/- 2.57   0.134% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  14.72 +/- 3.63   0.189% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  20.79 +/- 3.12   0.061% *  0.0098% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  27.68 +/- 4.06   0.028% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  20.18 +/- 2.83   0.070% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  21.04 +/- 3.47   0.078% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  27.05 +/- 4.09   0.030% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.51 +/- 3.38   0.086% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  24.73 +/- 2.65   0.034% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  30.53 +/- 3.94   0.019% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.96 +/- 3.65   0.020% *  0.0065% (0.09   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 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.942, support = 4.52, residual support = 142.0:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.38 +/- 0.14  41.515% * 54.0927% (1.00  10.0 10.00   4.54 156.54) =  83.930%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.29 +/- 1.51   9.529% * 39.2794% (0.73   1.0 10.00   4.35  30.36) =  13.990%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.35 +/- 0.59  20.166% *  1.4512% (0.03  10.0  1.00   5.20 315.33) =   1.094%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.78 +/- 0.27  10.657% *  2.3452% (0.04  10.0  1.00   5.20 315.33) =   0.934%  kept
        T HB2   LYS+  74 - QD    LYS+  65   8.73 +/- 2.31   1.534% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.026%
        T HD3   LYS+  74 - QD    LYS+  65   7.91 +/- 2.89   3.323% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  66 - QD    LYS+ 102  20.78 +/- 4.18   1.240% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   LYS+ 121 - QD    LYS+  65  15.21 +/- 1.81   0.178% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 121 - QD    LYS+ 102  16.85 +/- 5.99   0.240% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  65  12.29 +/- 1.91   0.400% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+  65  16.35 +/- 1.83   0.146% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  17.06 +/- 3.38   0.166% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  18.50 +/- 2.64   0.118% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.08 +/- 1.48   4.092% *  0.0034% (0.06   1.0  1.00   0.02   0.32) =   0.001%
        T HG2   LYS+  65 - QD    LYS+ 102  22.27 +/- 3.10   0.086% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  21.79 +/- 3.38   0.093% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.77 +/- 2.70   0.124% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.81 +/- 2.53   0.086% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  18.79 +/- 2.44   0.097% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.24 +/- 3.03   0.055% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  17.25 +/- 5.57   0.205% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   7.62 +/- 1.70   2.674% *  0.0022% (0.04   1.0  1.00   0.02   0.76) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  24.89 +/- 3.55   0.047% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.59 +/- 2.81   0.057% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  17.51 +/- 2.35   0.137% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  18.20 +/- 3.71   0.140% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.93 +/- 3.34   0.206% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.56 +/- 3.06   0.153% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.12 +/- 1.22   0.209% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  15.55 +/- 1.19   0.154% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.65 +/- 2.75   0.070% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.66 +/- 2.87   0.126% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  13.22 +/- 4.13   0.392% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  20.66 +/- 2.57   0.071% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  12.46 +/- 4.41   0.436% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  24.24 +/- 3.68   0.051% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.08 +/- 2.63   0.092% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  17.88 +/- 2.36   0.127% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  21.21 +/- 3.20   0.119% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.89 +/- 3.46   0.042% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  25.39 +/- 3.34   0.044% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  24.30 +/- 3.29   0.048% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  16.94 +/- 1.95   0.142% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  22.26 +/- 4.20   0.082% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.82 +/- 3.97   0.085% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  21.81 +/- 3.50   0.070% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  26.01 +/- 3.41   0.046% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  25.40 +/- 3.30   0.046% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  23.67 +/- 3.50   0.053% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.76 +/- 3.15   0.033% *  0.0017% (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 = 0.999, support = 4.1, residual support = 155.6:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.03  86.108% * 87.9221% (1.00  10.0 10.00   4.12 156.54) =  99.387%  kept
        T QE    LYS+  33 - QD    LYS+  65  14.92 +/- 3.68   4.522% * 10.2200% (0.90   1.0 10.00   0.26   0.02) =   0.607%  kept
        T QE    LYS+  33 - QD    LYS+  38  10.35 +/- 1.18   0.832% *  0.1440% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+ 102  16.76 +/- 4.12   0.298% *  0.1993% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QD    LYS+  65  13.49 +/- 4.13   1.231% *  0.0330% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - QD    LYS+ 102  21.22 +/- 3.10   0.160% *  0.2222% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.02 +/- 3.23   0.128% *  0.2177% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.09 +/- 0.97   2.610% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  19.20 +/- 2.69   0.146% *  0.1606% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  18.64 +/- 4.07   0.289% *  0.0812% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  18.55 +/- 2.70   0.237% *  0.0849% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.49 +/- 3.06   0.129% *  0.1347% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  15.58 +/- 6.50   1.030% *  0.0135% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  17.01 +/- 5.94   0.478% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  20.76 +/- 2.78   0.151% *  0.0533% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  30.00 +/- 3.60   0.039% *  0.1952% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.43 +/- 3.65   0.044% *  0.1208% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.34 +/- 4.63   0.219% *  0.0214% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  15.79 +/- 2.11   0.287% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.57 +/- 4.15   0.109% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.44 +/- 4.95   0.231% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  22.43 +/- 4.60   0.099% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.17 +/- 4.03   0.117% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.04 +/- 4.69   0.244% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  23.75 +/- 4.54   0.106% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.89 +/- 3.70   0.030% *  0.0210% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  31.30 +/- 3.73   0.032% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  33.97 +/- 3.42   0.023% *  0.0132% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  26.51 +/- 2.07   0.046% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  33.39 +/- 3.59   0.025% *  0.0082% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.871, support = 4.68, residual support = 145.9:
    *   T HA    LYS+  65 - QE    LYS+  65   4.43 +/- 0.56  33.932% * 81.5753% (0.92 10.00   4.85 156.54) =  92.708%  kept
        T HA    GLN   32 - QE    LYS+  33   6.41 +/- 1.28  16.738% *  8.9901% (0.10 10.00   3.58  14.99) =   5.040%  kept
        T HA    LYS+  65 - QE    LYS+  33  14.31 +/- 3.80   8.314% *  7.7610% (0.47 10.00   0.37   0.02) =   2.161%  kept
        T HA    LYS+ 121 - QE    LYS+  65  17.44 +/- 2.49   0.946% *  0.5003% (0.57 10.00   0.02   0.02) =   0.016%
          HA2   GLY   16 - QE    LYS+  33  10.63 +/- 3.47   9.990% *  0.0438% (0.50  1.00   0.02   0.02) =   0.015%
          QB    SER   48 - QE    LYS+  65  12.92 +/- 4.72   6.173% *  0.0675% (0.76  1.00   0.02   0.02) =   0.014%
          HA    ALA  120 - QE    LYS+  65  15.81 +/- 3.39   3.311% *  0.0836% (0.95  1.00   0.02   0.02) =   0.009%
          HA2   GLY   16 - QE    LYS+  65  13.63 +/- 3.60   2.290% *  0.0853% (0.97  1.00   0.02   0.02) =   0.007%
          HB    THR   94 - QE    LYS+  65  13.95 +/- 4.09   3.359% *  0.0572% (0.65  1.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - QE    LYS+  65  15.15 +/- 4.00   3.706% *  0.0430% (0.49  1.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - QE    LYS+  65  19.52 +/- 3.55   0.890% *  0.1749% (0.20 10.00   0.02   0.02) =   0.005%
          HD2   PRO   52 - QE    LYS+  65  14.54 +/- 3.97   4.587% *  0.0301% (0.34  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QE    LYS+  33  21.77 +/- 3.58   0.353% *  0.2572% (0.29 10.00   0.02   0.02) =   0.003%
          QB    SER   85 - QE    LYS+  65  18.41 +/- 3.98   0.926% *  0.0853% (0.97  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - QE    LYS+  65  15.75 +/- 1.98   1.517% *  0.0220% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  22.11 +/- 3.99   0.357% *  0.0438% (0.50  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QE    LYS+  33  22.63 +/- 3.27   0.304% *  0.0430% (0.49  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.35 +/- 2.75   0.394% *  0.0294% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  19.93 +/- 4.40   0.723% *  0.0155% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  22.30 +/- 3.07   0.298% *  0.0347% (0.39  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.69 +/- 3.56   0.166% *  0.0221% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.02 +/- 2.65   0.312% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.47 +/- 3.03   0.167% *  0.0155% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.86 +/- 2.82   0.247% *  0.0080% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.984, support = 5.24, residual support = 151.7:
    *   T QB    LYS+  65 - QE    LYS+  65   3.20 +/- 0.50  51.967% * 83.7542% (1.00 10.00   5.32 156.54) =  96.389%  kept
          QB    LYS+  66 - QE    LYS+  65   6.26 +/- 1.12  11.829% * 10.1281% (0.57  1.00   4.27  30.36) =   2.653%  kept
        T QB    LYS+  65 - QE    LYS+  33  14.50 +/- 3.30   7.533% *  5.5804% (0.51 10.00   0.26   0.02) =   0.931%  kept
          HB3   GLN   17 - QE    LYS+  65  10.67 +/- 3.76   9.610% *  0.0508% (0.61  1.00   0.02   0.02) =   0.011%
          HB2   LEU   71 - QE    LYS+  33   8.91 +/- 3.17   5.986% *  0.0430% (0.51  1.00   0.02   0.02) =   0.006%
          HG2   PRO   93 - QE    LYS+  65  14.85 +/- 4.05   1.971% *  0.0700% (0.84  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QE    LYS+  65  13.35 +/- 1.55   0.883% *  0.0836% (1.00  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QE    LYS+  33  10.97 +/- 2.62   2.620% *  0.0261% (0.31  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  33  10.20 +/- 2.99   3.453% *  0.0162% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  15.97 +/- 3.99   0.803% *  0.0422% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  33  15.23 +/- 3.00   1.235% *  0.0244% (0.29  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  65  14.91 +/- 1.91   0.788% *  0.0314% (0.38  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  65  20.22 +/- 2.22   0.249% *  0.0821% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  18.65 +/- 2.07   0.369% *  0.0209% (0.25  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.65 +/- 3.46   0.548% *  0.0107% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.22 +/- 2.23   0.157% *  0.0360% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 0.99, support = 4.37, residual support = 152.7:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.57 +/- 0.39  55.108% * 81.0485% (1.00  10.0 10.00   4.42 156.54) =  97.284%  kept
          QD    LYS+  66 - QE    LYS+  65   6.39 +/- 1.57   5.123% * 13.0464% (0.73   1.0  1.00   4.43  30.36) =   1.456%  kept
        T HG2   LYS+  65 - QE    LYS+  33  15.68 +/- 4.24  10.560% *  5.4002% (0.51   1.0 10.00   0.26   0.02) =   1.242%  kept
          QG2   THR   26 - QE    LYS+  33   6.41 +/- 1.48   6.410% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QE    LYS+  65   8.49 +/- 2.35   3.366% *  0.0677% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HD3   LYS+  74 - QE    LYS+  65   7.58 +/- 2.94  13.666% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QE    LYS+  65  12.01 +/- 2.46   0.861% *  0.0803% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QE    LYS+  65  15.67 +/- 2.02   0.378% *  0.0803% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  33  13.45 +/- 2.48   0.492% *  0.0348% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.10 +/- 2.28   1.252% *  0.0093% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  15.99 +/- 3.07   0.337% *  0.0303% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  19.97 +/- 3.63   0.193% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  18.96 +/- 2.99   0.282% *  0.0202% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.80 +/- 2.05   0.275% *  0.0202% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.13 +/- 3.83   0.527% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  16.15 +/- 1.33   0.276% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.68 +/- 2.95   0.321% *  0.0142% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.46 +/- 2.52   0.374% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.20 +/- 3.73   0.140% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.84 +/- 3.11   0.058% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 4.11, residual support = 156.0:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.03  79.846% * 90.8543% (1.00  10.0 10.00   4.12 156.54) =  99.631%  kept
        T QD    LYS+  65 - QE    LYS+  33  14.92 +/- 3.68   4.219% *  6.0535% (0.51   1.0 10.00   0.26   0.02) =   0.351%  kept
          HD2   LYS+  74 - QE    LYS+  65   7.87 +/- 2.69   9.076% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - QE    LYS+  33  10.35 +/- 1.18   0.772% *  0.4311% (0.47   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - QE    LYS+  65  19.20 +/- 2.69   0.136% *  0.8387% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  65  21.22 +/- 3.10   0.149% *  0.5144% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  33  16.76 +/- 4.12   0.277% *  0.2644% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.45 +/- 2.50   1.709% *  0.0253% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QE    LYS+  65  14.55 +/- 3.86   1.232% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  65  16.44 +/- 4.22   0.450% *  0.0901% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  21.02 +/- 3.23   0.119% *  0.2265% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.69 +/- 2.04   0.250% *  0.0907% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.49 +/- 3.06   0.120% *  0.1402% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  16.53 +/- 3.82   0.527% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.61 +/- 2.78   0.422% *  0.0264% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  20.17 +/- 5.60   0.165% *  0.0463% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.51 +/- 3.42   0.110% *  0.0466% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  30.00 +/- 3.60   0.037% *  0.1165% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.43 +/- 3.65   0.041% *  0.0721% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.21 +/- 3.35   0.193% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.77 +/- 3.81   0.090% *  0.0159% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.13 +/- 2.43   0.062% *  0.0175% (0.19   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 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 = 0.988, support = 4.97, residual support = 115.1:
    * O T QB    LYS+  66 - HA    LYS+  66   2.37 +/- 0.14  82.328% * 85.6576% (1.00  10.0 10.00   4.95 117.40) =  97.328%  kept
          QB    LYS+  65 - HA    LYS+  66   4.31 +/- 0.28  14.342% * 13.4756% (0.57   1.0  1.00   5.56  30.36) =   2.667%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.51 +/- 3.67   0.256% *  0.4850% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  123 - HA    LYS+  66  15.66 +/- 5.33   0.933% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.18 +/- 1.87   0.842% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  66  18.45 +/- 3.43   0.403% *  0.0768% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  15.15 +/- 1.83   0.381% *  0.0810% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  21.14 +/- 3.13   0.316% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.02 +/- 2.47   0.198% *  0.0715% (0.84   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.972, support = 4.34, residual support = 110.5:
    * O T QG    LYS+  66 - HA    LYS+  66   2.62 +/- 0.43  73.131% * 64.6331% (1.00  10.0 10.00   4.34 117.40) =  93.330%  kept
        T HG    LEU   67 - HA    LYS+  66   6.28 +/- 0.91   8.735% * 24.2575% (0.38   1.0 10.00   4.71  14.13) =   4.184%  kept
          HB3   LEU   67 - HA    LYS+  66   5.55 +/- 0.58  11.688% * 10.7490% (0.95   1.0  1.00   3.52  14.13) =   2.481%  kept
          QB    ALA   61 - HA    LYS+  66   8.48 +/- 1.39   2.510% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+  66  14.48 +/- 1.42   0.620% *  0.0611% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+  66  13.14 +/- 1.70   0.830% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    LYS+  66  16.54 +/- 2.44   0.767% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.30 +/- 1.35   0.656% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  24.76 +/- 4.05   0.270% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  20.98 +/- 4.26   0.289% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  19.82 +/- 2.05   0.230% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  20.30 +/- 3.80   0.273% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.992, support = 4.67, residual support = 115.1:
    *   T QD    LYS+  66 - HA    LYS+  66   2.80 +/- 0.60  71.465% * 85.4389% (1.00 10.00   4.68 117.40) =  97.311%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.76 +/- 1.01  12.339% * 13.5789% (0.73  1.00   4.38  30.36) =   2.670%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  15.36 +/- 3.00   0.799% *  0.6841% (0.80 10.00   0.02   0.02) =   0.009%
          HD3   LYS+  74 - HA    LYS+  66  11.35 +/- 3.91   6.572% *  0.0450% (0.53  1.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HA    LYS+  66  11.70 +/- 3.25   6.320% *  0.0321% (0.38  1.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HA    LYS+  66  19.16 +/- 4.38   1.016% *  0.0587% (0.69  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  66  14.99 +/- 1.80   0.731% *  0.0553% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  16.76 +/- 3.11   0.511% *  0.0587% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  21.98 +/- 2.82   0.246% *  0.0484% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 117.4:
    *   T QE    LYS+  66 - HA    LYS+  66   4.15 +/- 0.51  88.444% * 99.6609% (1.00 10.00   4.29 117.40) =  99.988%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.13 +/- 3.35   3.190% *  0.2219% (0.22 10.00   0.02   0.02) =   0.008%
          HB2   ASN   69 - HA    LYS+  66  10.18 +/- 0.90   7.067% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - HA    LYS+  66  21.28 +/- 3.23   1.299% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 117.4:
    * O T HA    LYS+  66 - QB    LYS+  66   2.37 +/- 0.14  97.773% * 99.9488% (1.00  10.0 10.00   4.95 117.40) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  11.49 +/- 3.59   1.761% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  19.87 +/- 3.38   0.246% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  19.85 +/- 2.79   0.220% *  0.0154% (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 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 = 0.982, support = 4.32, residual support = 113.3:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.02  81.617% * 64.3927% (1.00  10.0 10.00   4.33 117.40) =  96.025%  kept
        T HG    LEU   67 - QB    LYS+  66   5.39 +/- 0.89   6.238% * 24.1673% (0.38   1.0 10.00   4.66  14.13) =   2.754%  kept
          HB3   LEU   67 - QB    LYS+  66   4.97 +/- 0.44   6.262% * 10.5782% (0.95   1.0  1.00   3.47  14.13) =   1.210%  kept
        T HG2   LYS+ 102 - QB    LYS+  66  22.00 +/- 4.27   0.622% *  0.5586% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   61 - QB    LYS+  66   7.18 +/- 1.30   2.915% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    LYS+  66  13.42 +/- 2.59   0.659% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.65 +/- 0.97   0.302% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  11.81 +/- 1.74   0.536% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.73 +/- 1.06   0.373% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  16.66 +/- 2.04   0.182% *  0.0391% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  19.00 +/- 3.25   0.139% *  0.0417% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.36 +/- 2.85   0.156% *  0.0113% (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 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 111.1:
    * O T QD    LYS+  66 - QB    LYS+  66   2.26 +/- 0.17  80.547% * 57.5492% (1.00  10.0 10.00   4.67 117.40) =  92.742%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.85 +/- 0.99   8.663% * 41.7893% (0.73   1.0 10.00   4.33  30.36) =   7.243%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  12.50 +/- 3.12   0.896% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU  104 - QB    LYS+  66  16.70 +/- 4.53   5.808% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HD3   LYS+  74 - QB    LYS+  66  10.73 +/- 2.99   1.710% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  13.69 +/- 3.32   0.638% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  11.17 +/- 2.38   1.144% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  14.21 +/- 1.69   0.407% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  18.27 +/- 2.81   0.188% *  0.0326% (0.57   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 117.4:
    *   T QE    LYS+  66 - QB    LYS+  66   3.09 +/- 0.58  91.591% * 99.6609% (1.00 10.00   4.23 117.40) =  99.994%  kept
        T HB2   ASP-  76 - QB    LYS+  66  14.72 +/- 2.51   1.069% *  0.2219% (0.22 10.00   0.02   0.02) =   0.003%
          HB2   ASN   69 - QB    LYS+  66   9.05 +/- 1.10   6.580% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - QB    LYS+  66  19.72 +/- 2.94   0.760% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    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 = 0.991, support = 4.35, residual support = 116.4:
    * O T HA    LYS+  66 - QG    LYS+  66   2.62 +/- 0.43  83.546% * 92.8046% (1.00  10.0 10.00   4.34 117.40) =  99.077%  kept
        T HA    LYS+  66 - HG    LEU   67   6.28 +/- 0.91  10.110% *  7.1442% (0.08   1.0 10.00   4.71  14.13) =   0.923%  kept
          HA1   GLY   16 - QG    LYS+  66  11.97 +/- 3.23   1.547% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  20.58 +/- 3.44   0.433% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  20.00 +/- 3.31   0.305% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  10.29 +/- 3.93   3.361% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.32 +/- 3.54   0.477% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  21.58 +/- 2.08   0.222% *  0.0011% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.975, support = 4.4, residual support = 112.8:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.02  67.244% * 79.1011% (1.00  10.0 10.00   4.33 117.40) =  94.848%  kept
          QB    LYS+  65 - QG    LYS+  66   4.01 +/- 1.08  19.566% * 13.1263% (0.57   1.0  1.00   5.86  30.36) =   4.580%  kept
        T QB    LYS+  66 - HG    LEU   67   5.39 +/- 0.89   5.186% *  6.0893% (0.08   1.0 10.00   4.66  14.13) =   0.563%  kept
        T HB    VAL   41 - QG    LYS+  66  14.48 +/- 2.01   0.241% *  0.7483% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - QG    LYS+  66  19.10 +/- 3.07   0.298% *  0.5434% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  123 - QG    LYS+  66  12.70 +/- 4.90   1.422% *  0.0448% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.42 +/- 2.91   0.904% *  0.0576% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG    LYS+  66  15.81 +/- 3.13   0.304% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  12.20 +/- 1.27   0.362% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  16.98 +/- 3.65   0.325% *  0.0448% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.13 +/- 2.45   0.165% *  0.0661% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  17.96 +/- 3.51   0.171% *  0.0418% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.52 +/- 1.04   1.803% *  0.0034% (0.04   1.0  1.00   0.02   0.33) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.40 +/- 1.82   1.101% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  15.46 +/- 5.60   0.525% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.73 +/- 3.23   0.189% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  17.77 +/- 2.17   0.119% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  20.67 +/- 2.19   0.075% *  0.0034% (0.04   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 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 = 0.989, support = 4.47, residual support = 114.9:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  71.496% * 79.6023% (1.00  10.0 10.00   4.47 117.40) =  97.260%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.59 +/- 1.56   9.763% * 13.2592% (0.73   1.0  1.00   4.59  30.36) =   2.212%  kept
        T QD    LYS+  66 - HG    LEU   67   6.70 +/- 1.31   4.930% *  6.1278% (0.08   1.0 10.00   4.09  14.13) =   0.516%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  12.99 +/- 2.79   0.494% *  0.6374% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU  104 - QG    LYS+  66  17.28 +/- 4.17   1.821% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HG    LEU   67  11.19 +/- 3.42   2.373% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HG    LEU   67  13.15 +/- 5.28   1.036% *  0.0491% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66  10.95 +/- 3.13   1.208% *  0.0419% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QG    LYS+  66  11.45 +/- 2.52   0.828% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  14.14 +/- 2.91   0.364% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  14.54 +/- 2.08   0.313% *  0.0515% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  11.76 +/- 3.76   2.307% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  18.43 +/- 2.51   0.144% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.04 +/- 1.22   1.229% *  0.0044% (0.06   1.0  1.00   0.02   0.33) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  14.83 +/- 5.29   0.707% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  15.67 +/- 4.78   0.578% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.10 +/- 2.08   0.295% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  21.13 +/- 3.72   0.113% *  0.0035% (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 = 0.988, support = 3.78, residual support = 116.0:
    * O T QE    LYS+  66 - QG    LYS+  66   2.13 +/- 0.11  75.005% * 92.5373% (1.00  10.0 10.00   3.78 117.40) =  98.693%  kept
        T QE    LYS+  66 - HG    LEU   67   7.56 +/- 1.60  12.883% *  7.1236% (0.08   1.0 10.00   3.78  14.13) =   1.305%  kept
        T HB2   ASP-  76 - QG    LYS+  66  14.89 +/- 2.85   0.459% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.88 +/- 1.19   0.976% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   6.93 +/- 2.02  10.161% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  20.45 +/- 2.94   0.105% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.98 +/- 2.46   0.263% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.24 +/- 2.90   0.149% *  0.0062% (0.07   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 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.68, residual support = 117.4:
    *   T HA    LYS+  66 - QD    LYS+  66   2.80 +/- 0.60  93.976% * 99.8184% (1.00 10.00   4.68 117.40) =  99.998%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  15.36 +/- 3.00   1.047% *  0.1241% (0.12 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QD    LYS+  66  12.13 +/- 3.62   2.675% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  20.76 +/- 3.77   0.553% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  20.52 +/- 3.63   0.640% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  19.09 +/- 5.58   0.565% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  22.99 +/- 4.20   0.305% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  23.63 +/- 3.59   0.239% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.938, support = 4.79, residual support = 105.0:
    * O T QB    LYS+  66 - QD    LYS+  66   2.26 +/- 0.17  68.310% * 63.5425% (1.00  10.0 10.00   4.67 117.40) =  85.803%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.81 +/- 1.25  19.953% * 35.9749% (0.57   1.0 10.00   5.52  30.36) =  14.190%  kept
          HG    LEU  123 - QD    LYS+  66  13.54 +/- 5.59   4.336% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  66 - HD2   LYS+ 121  12.50 +/- 3.12   0.745% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD    LYS+  66  16.59 +/- 3.42   0.474% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD    LYS+  66  19.68 +/- 3.49   0.457% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.08 +/- 2.07   0.290% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  13.42 +/- 1.50   0.369% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.74 +/- 1.76   0.492% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  17.91 +/- 3.56   0.388% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.91 +/- 2.76   0.186% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.65 +/- 0.71   1.284% *  0.0045% (0.07   1.0  1.00   0.02   2.59) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  14.58 +/- 5.57   0.535% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  15.73 +/- 5.52   0.721% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  14.97 +/- 4.69   0.382% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  15.88 +/- 3.17   0.393% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  15.37 +/- 6.15   0.477% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  18.84 +/- 3.37   0.209% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.984, support = 4.45, residual support = 114.0:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  75.801% * 65.8746% (1.00  10.0 10.00   4.47 117.40) =  96.737%  kept
        T HG    LEU   67 - QD    LYS+  66   6.70 +/- 1.31   5.174% * 24.7235% (0.38   1.0 10.00   4.09  14.13) =   2.478%  kept
          HB3   LEU   67 - QD    LYS+  66   6.39 +/- 1.22   4.557% *  8.7967% (0.95   1.0  1.00   2.82  14.13) =   0.777%  kept
          QB    ALA   61 - QD    LYS+  66   8.10 +/- 1.68   2.394% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HD2   LYS+ 121  12.03 +/- 5.22   1.472% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HD2   LYS+ 121  12.99 +/- 2.79   0.521% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HD2   LYS+ 121  13.15 +/- 5.28   1.092% *  0.0307% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD    LYS+  66  23.12 +/- 4.32   0.489% *  0.0571% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD    LYS+  66  14.71 +/- 2.62   0.789% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.90 +/- 1.16   0.606% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  11.15 +/- 3.36   3.329% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  14.83 +/- 1.51   0.234% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  13.26 +/- 1.59   0.359% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  13.56 +/- 1.37   0.310% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  13.52 +/- 4.89   0.967% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  17.61 +/- 2.19   0.161% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  19.67 +/- 3.85   0.130% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.68 +/- 2.22   0.643% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  18.82 +/- 6.96   0.258% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  19.06 +/- 3.60   0.154% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.80 +/- 4.52   0.221% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  19.35 +/- 4.15   0.168% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  24.28 +/- 5.14   0.085% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  23.34 +/- 4.41   0.086% *  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.
 
    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 = 3.98, residual support = 117.4:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  96.298% * 99.4957% (1.00  10.0 10.00   3.98 117.40) =  99.997%  kept
        T HB2   ASP-  76 - QD    LYS+  66  15.43 +/- 3.11   0.597% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  66 - HD2   LYS+ 121  14.24 +/- 3.48   0.639% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.04 +/- 1.64   1.183% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  20.76 +/- 3.20   0.141% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  21.32 +/- 3.61   0.138% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  14.51 +/- 5.31   0.894% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  22.21 +/- 3.87   0.109% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 117.4:
    *   T HA    LYS+  66 - QE    LYS+  66   4.15 +/- 0.51  79.048% * 99.7309% (1.00 10.00   4.29 117.40) =  99.991%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.13 +/- 3.35   2.826% *  0.2073% (0.21 10.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - QE    LYS+  66  12.83 +/- 3.09   4.256% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.72 +/- 0.85  10.508% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  21.74 +/- 3.98   1.203% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  21.56 +/- 3.46   0.925% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.34 +/- 3.19   0.854% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  26.18 +/- 2.28   0.381% *  0.0046% (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 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.983, support = 4.25, residual support = 113.9:
    *   T QB    LYS+  66 - QE    LYS+  66   3.09 +/- 0.58  55.568% * 87.3327% (1.00 10.00   4.23 117.40) =  96.009%  kept
          QB    LYS+  65 - QE    LYS+  66   5.76 +/- 1.19  16.786% * 11.9455% (0.57  1.00   4.83  30.36) =   3.967%  kept
          HG    LEU  123 - QE    LYS+  66  13.45 +/- 5.67  13.333% *  0.0494% (0.57  1.00   0.02   0.02) =   0.013%
        T QB    LYS+  66 - HB2   ASP-  76  14.72 +/- 2.51   0.652% *  0.1816% (0.21 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QE    LYS+  66  20.35 +/- 4.02   1.493% *  0.0600% (0.69  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HB2   ASP-  76  14.81 +/- 2.94   4.293% *  0.0163% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  66  16.10 +/- 2.22   0.612% *  0.0826% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QE    LYS+  66  17.14 +/- 3.34   0.586% *  0.0783% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  13.71 +/- 1.57   0.827% *  0.0459% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  17.96 +/- 4.14   0.745% *  0.0494% (0.57  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  66  19.76 +/- 3.27   0.466% *  0.0729% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB2   ASP-  76  11.72 +/- 2.56   1.542% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  15.92 +/- 2.61   0.646% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  17.82 +/- 3.32   0.584% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.28 +/- 4.07   0.804% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  20.43 +/- 3.36   0.386% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  18.04 +/- 0.90   0.360% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  23.97 +/- 4.75   0.316% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 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 = 0.963, support = 3.78, residual support = 110.6:
    * O T QG    LYS+  66 - QE    LYS+  66   2.13 +/- 0.11  70.104% * 65.4840% (1.00  10.0 10.00   3.78 117.40) =  93.465%  kept
        T HG    LEU   67 - QE    LYS+  66   7.56 +/- 1.60  11.782% * 24.5769% (0.38   1.0 10.00   3.78  14.13) =   5.895%  kept
          HB3   LEU   67 - QE    LYS+  66   7.37 +/- 1.22   3.337% *  9.2979% (0.95   1.0  1.00   3.00  14.13) =   0.632%  kept
          QB    ALA   61 - QE    LYS+  66   8.54 +/- 1.55   1.726% *  0.0547% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QE    LYS+  66  23.91 +/- 4.95   1.189% *  0.0568% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HB2   ASP-  76  14.89 +/- 2.85   0.427% *  0.1361% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   8.01 +/- 1.81   3.060% *  0.0088% (0.13   1.0  1.00   0.02   1.20) =   0.001%
          QB    ALA   61 - HB2   ASP-  76  10.72 +/- 3.30   1.885% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  15.01 +/- 2.80   0.606% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  15.98 +/- 2.46   0.247% *  0.0511% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  15.99 +/- 1.50   0.190% *  0.0619% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.33 +/- 1.85   0.789% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  14.60 +/- 1.35   0.253% *  0.0345% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  14.06 +/- 1.49   0.265% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.89 +/- 0.79   2.504% *  0.0024% (0.04   1.0  1.00   0.02   1.20) =   0.000%
          QB    ALA  110 - QE    LYS+  66  17.87 +/- 2.48   0.146% *  0.0397% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  20.87 +/- 3.51   0.111% *  0.0424% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  15.23 +/- 1.74   0.231% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.22 +/- 3.84   0.376% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  15.19 +/- 3.14   0.247% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  18.00 +/- 3.45   0.206% *  0.0083% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  20.24 +/- 3.25   0.124% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  23.45 +/- 3.99   0.081% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  18.30 +/- 1.20   0.116% *  0.0066% (0.10   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 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 3.98, residual support = 116.9:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  80.688% * 85.6723% (1.00  10.0 10.00   3.98 117.40) =  99.418%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.50 +/- 1.63   3.059% * 12.9470% (0.73   1.0  1.00   4.16  30.36) =   0.570%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  14.24 +/- 3.48   0.535% *  0.6860% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU  104 - QE    LYS+  66  18.79 +/- 4.89   3.155% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  66 - HB2   ASP-  76  15.43 +/- 3.11   0.501% *  0.1781% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   ASP-  76   7.12 +/- 2.04   5.294% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QE    LYS+  66  12.64 +/- 3.35   0.684% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  15.30 +/- 3.68   0.404% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.58 +/- 1.32   2.598% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  15.88 +/- 2.42   0.303% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  21.32 +/- 3.61   0.116% *  0.1426% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  13.26 +/- 2.55   0.472% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  12.30 +/- 3.14   0.847% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  19.53 +/- 3.28   0.207% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  12.14 +/- 3.30   0.635% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  20.80 +/- 4.19   0.309% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  20.63 +/- 2.56   0.101% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  22.37 +/- 3.36   0.093% *  0.0122% (0.14   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 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 = 36.7:
    * O T HB2   PRO   68 - HA    PRO   68   2.69 +/- 0.13  98.136% * 98.6006% (0.84  10.0 10.00   2.00  36.68) =  99.994%  kept
        T HB    VAL   24 - HA    PRO   68  21.78 +/- 3.90   0.343% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLN   32 - HA    PRO   68  17.10 +/- 3.65   1.034% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    PRO   68  18.61 +/- 5.49   0.487% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 36.7:
    * O T HA    PRO   68 - HB2   PRO   68   2.69 +/- 0.13  99.651% * 99.1920% (0.84  10.0 10.00   2.00  36.68) =  99.997%  kept
        T HA    PRO   68 - HB    VAL   24  21.78 +/- 3.90   0.349% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.46 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 = 59.3:
    * O T HB2   ASN   69 - HA    ASN   69   2.59 +/- 0.21  96.154% * 99.7955% (1.00  10.0 10.00   3.31  59.26) =  99.999%  kept
          QE    LYS+  66 - HA    ASN   69  10.58 +/- 1.33   1.809% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   69  12.50 +/- 3.10   1.675% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  20.34 +/- 1.94   0.221% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  23.68 +/- 2.38   0.141% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 59.3:
    * O T HB3   ASN   69 - HA    ASN   69   2.74 +/- 0.28  96.221% * 99.7714% (1.00  10.0 10.00   2.99  59.26) =  99.997%  kept
          HB2   PHE   72 - HA    ASN   69  10.57 +/- 0.75   1.945% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASN   69  13.37 +/- 2.52   1.445% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    ASN   69  20.37 +/- 3.88   0.388% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 59.3:
    * O T HA    ASN   69 - HB2   ASN   69   2.59 +/- 0.21  98.949% * 99.8126% (1.00  10.0 10.00   3.31  59.26) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  14.23 +/- 1.65   0.808% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  21.63 +/- 2.61   0.243% *  0.0978% (0.98   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 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 = 59.3:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.239% * 99.7714% (1.00  10.0 10.00   3.97  59.26) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.42 +/- 0.78   0.378% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.26 +/- 2.45   0.276% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  20.49 +/- 3.86   0.107% *  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 = 2.99, residual support = 59.3:
    * O T HA    ASN   69 - HB3   ASN   69   2.74 +/- 0.28  98.268% * 99.8126% (1.00  10.0 10.00   2.99  59.26) =  99.998%  kept
          HA    VAL   43 - HB3   ASN   69  14.16 +/- 1.72   1.216% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  21.51 +/- 2.93   0.516% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 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 = 59.3:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.939% * 99.7955% (1.00  10.0 10.00   3.97  59.26) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.00 +/- 1.51   0.684% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  21.03 +/- 1.94   0.065% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.08 +/- 3.09   0.270% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  24.25 +/- 2.46   0.042% *  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 = 0.999, support = 4.31, residual support = 79.5:
    * O T HB    VAL   70 - HA    VAL   70   2.86 +/- 0.27  81.398% * 97.2460% (1.00  10.0 10.00   4.31  79.58) =  99.945%  kept
        T QG    GLN   17 - HA    VAL   70   8.84 +/- 2.12   3.763% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.046%
        T HB    VAL   70 - HA    SER   48  19.36 +/- 3.64   0.673% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB2   SER   82  22.99 +/- 4.10   0.208% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    VAL   70  12.92 +/- 2.21   1.186% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HA    SER   48  19.49 +/- 4.49   0.390% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   SER   82  23.92 +/- 2.73   0.174% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  13.85 +/- 5.35   1.612% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  19.84 +/- 8.92   1.012% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70  11.66 +/- 1.96   1.918% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.30 +/- 1.67   0.262% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48  11.08 +/- 4.45   4.096% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.66 +/- 3.03   0.627% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.84 +/- 1.45   1.049% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  17.21 +/- 0.87   0.404% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  16.48 +/- 2.05   0.548% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  23.41 +/- 3.38   0.193% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.98 +/- 5.03   0.199% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  30.19 +/- 5.59   0.104% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  28.49 +/- 2.90   0.100% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  30.47 +/- 2.72   0.082% *  0.0044% (0.05   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 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.81, residual support = 75.9:
    * O T QG1   VAL   70 - HA    VAL   70   2.63 +/- 0.29  58.881% * 79.5252% (1.00  10.0 10.00   4.80  79.58) =  92.064%  kept
          QD1   LEU   71 - HA    VAL   70   4.61 +/- 1.18  22.098% * 18.0852% (0.92   1.0  1.00   4.93  33.81) =   7.857%  kept
        T QG1   VAL   18 - HA    VAL   70   7.76 +/- 2.15   4.163% *  0.7795% (0.98   1.0 10.00   0.02   0.02) =   0.064%
          HB3   LEU   63 - HA    VAL   70   9.02 +/- 2.07   2.769% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HA    SER   48  14.72 +/- 4.63   0.697% *  0.1776% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HB2   SER   82  17.90 +/- 4.08   0.287% *  0.3777% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  12.87 +/- 3.79   1.183% *  0.0734% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    SER   48  15.82 +/- 4.17   7.554% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HA    SER   48  16.64 +/- 3.11   0.351% *  0.1812% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HB2   SER   82  20.77 +/- 2.04   0.144% *  0.3854% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  13.44 +/- 4.63   0.914% *  0.0482% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  123 - HA    SER   48  19.95 +/- 3.29   0.217% *  0.1672% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   SER   82  24.75 +/- 4.00   0.152% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  22.00 +/- 2.99   0.135% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.52 +/- 2.83   0.180% *  0.0167% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  23.01 +/- 2.60   0.109% *  0.0218% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  25.29 +/- 3.74   0.086% *  0.0234% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  24.97 +/- 2.95   0.079% *  0.0110% (0.14   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 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 79.6:
    * O T QG2   VAL   70 - HA    VAL   70   2.33 +/- 0.27  99.195% * 99.2926% (0.80  10.0 10.00   4.00  79.58) =  99.998%  kept
        T QG2   VAL   70 - HA    SER   48  16.30 +/- 2.42   0.601% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HB2   SER   82  19.27 +/- 2.60   0.204% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.19 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 = 0.992, support = 4.31, residual support = 79.3:
    * O T HA    VAL   70 - HB    VAL   70   2.86 +/- 0.27  52.232% * 95.6741% (1.00  10.0 10.00   4.31  79.58) =  99.089%  kept
          HA    VAL   18 - QG    GLN   17   4.64 +/- 0.74  16.240% *  2.7396% (0.13   1.0  1.00   4.49  50.03) =   0.882%  kept
        T HA    VAL   70 - QG    GLN   17   8.84 +/- 2.12   2.409% *  0.1777% (0.19   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   18 - HB    VAL   70   7.43 +/- 2.55   5.814% *  0.0657% (0.69   1.0  1.00   0.02   0.02) =   0.008%
          HB2   SER   37 - HB    VAL   70  11.14 +/- 2.31   3.613% *  0.0466% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T HA    SER   48 - HB    VAL   70  19.36 +/- 3.64   0.409% *  0.2386% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB    VAL   70  14.82 +/- 3.24   0.693% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - HB    VAL   70  23.92 +/- 2.73   0.111% *  0.5803% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70   9.18 +/- 3.28   3.367% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  14.83 +/- 2.91   0.640% *  0.0830% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG    GLN   17   5.29 +/- 0.52   9.634% *  0.0035% (0.04   1.0  1.00   0.02  16.90) =   0.001%
          HA    GLU-  29 - HB    VAL   70  16.95 +/- 2.01   0.323% *  0.0695% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  13.98 +/- 2.68   1.456% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  11.26 +/- 2.57   1.672% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.99 +/- 4.10   0.131% *  0.1078% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  12.80 +/- 2.57   0.821% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  19.49 +/- 4.49   0.245% *  0.0443% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.39 +/- 2.93   0.190% *  0.0178% (0.19   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 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 = 0.994, support = 5.2, residual support = 78.9:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.02  57.300% * 77.6892% (1.00  10.0 10.00   5.21  79.58) =  98.262%  kept
          QD1   LEU   71 - HB    VAL   70   6.38 +/- 0.96   2.783% * 18.7549% (0.92   1.0  1.00   5.23  33.81) =   1.152%  kept
          QG1   VAL   18 - QG    GLN   17   4.76 +/- 0.84   7.650% *  3.1291% (0.18   1.0  1.00   4.42  50.03) =   0.528%  kept
        T QG1   VAL   70 - QG    GLN   17   7.75 +/- 2.08  12.128% *  0.1443% (0.19   1.0 10.00   0.02   0.02) =   0.039%
          QG1   VAL   18 - HB    VAL   70   6.80 +/- 2.64   5.770% *  0.0762% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          HB3   LEU   63 - HB    VAL   70   6.68 +/- 2.07   5.400% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QG    GLN   17   6.58 +/- 2.98   6.935% *  0.0133% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB    VAL   70  11.88 +/- 3.57   0.732% *  0.0717% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  13.59 +/- 4.19   0.365% *  0.0471% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  11.81 +/- 2.44   0.479% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  15.23 +/- 3.51   0.240% *  0.0133% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.48 +/- 4.26   0.219% *  0.0088% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 79.6:
    * O T QG2   VAL   70 - HB    VAL   70   2.11 +/- 0.02  89.957% * 99.8146% (0.80  10.0 10.00   4.31  79.58) =  99.979%  kept
        T QG2   VAL   70 - QG    GLN   17   7.63 +/- 1.92  10.043% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.021%
    Distance limit 3.03 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 = 0.999, support = 4.8, residual support = 79.5:
    * O T HA    VAL   70 - QG1   VAL   70   2.63 +/- 0.29  69.923% * 98.1637% (1.00  10.0 10.00   4.80  79.58) =  99.939%  kept
        T HA    VAL   18 - QG1   VAL   70   7.22 +/- 1.34   4.660% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.046%
          HA1   GLY   16 - QG1   VAL   70   7.81 +/- 2.47  15.889% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HB2   SER   37 - QG1   VAL   70   9.45 +/- 2.49   5.973% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.004%
        T HA    SER   48 - QG1   VAL   70  16.64 +/- 3.11   0.488% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG1   VAL   70  12.04 +/- 2.45   1.088% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG1   VAL   70  12.86 +/- 3.07   1.240% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG1   VAL   70  20.77 +/- 2.04   0.170% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  14.88 +/- 2.33   0.571% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 79.4:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.02  80.277% * 98.7774% (1.00  10.0 10.00   5.21  79.58) =  99.794%  kept
        T QG    GLN   17 - QG1   VAL   70   7.75 +/- 2.08  16.596% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.204%  kept
          HB2   MET   96 - QG1   VAL   70  10.41 +/- 1.98   0.971% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG1   VAL   70  12.64 +/- 4.32   0.960% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.81 +/- 1.94   0.169% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  11.46 +/- 1.85   0.729% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  13.96 +/- 1.08   0.298% *  0.0246% (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 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 = 4.8, residual support = 79.6:
    * O T QG2   VAL   70 - QG1   VAL   70   2.03 +/- 0.07 100.000% *100.0000% (0.80  10.0 10.00   4.80  79.58) = 100.000%  kept
    Distance limit 2.62 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 = 3.99, residual support = 79.4:
    * O T HA    VAL   70 - QG2   VAL   70   2.33 +/- 0.27  75.003% * 97.2307% (0.54  10.0 10.00   4.00  79.58) =  99.732%  kept
          HA    VAL   18 - QG2   VAL   70   6.19 +/- 1.77  11.688% *  1.6183% (0.37   1.0  1.00   0.48   0.02) =   0.259%  kept
          HA1   GLY   16 - QG2   VAL   70   7.95 +/- 2.38   8.039% *  0.0192% (0.11   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG2   VAL   70  16.30 +/- 2.42   0.455% *  0.2424% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG2   VAL   70   8.67 +/- 1.69   2.249% *  0.0473% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG2   VAL   70  19.27 +/- 2.60   0.154% *  0.5897% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   70  11.50 +/- 2.29   1.055% *  0.0843% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   70  12.40 +/- 2.53   0.825% *  0.0972% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.14 +/- 1.82   0.533% *  0.0706% (0.39   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 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 = 79.5:
    * O T HB    VAL   70 - QG2   VAL   70   2.11 +/- 0.02  86.185% * 98.7774% (0.54  10.0 10.00   4.31  79.58) =  99.887%  kept
        T QG    GLN   17 - QG2   VAL   70   7.63 +/- 1.92   9.624% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.111%  kept
          HB2   MET   96 - QG2   VAL   70   8.98 +/- 2.00   1.727% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QG2   VAL   70  11.57 +/- 3.73   0.897% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.07 +/- 1.60   0.220% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.60 +/- 1.55   0.939% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  12.83 +/- 0.92   0.408% *  0.0246% (0.13   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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.535, support = 4.81, residual support = 78.2:
    * O T QG1   VAL   70 - QG2   VAL   70   2.03 +/- 0.07  78.428% * 77.8634% (0.54  10.0 10.00   4.80  79.58) =  97.145%  kept
          QD1   LEU   71 - QG2   VAL   70   5.01 +/- 1.03   8.355% * 20.1664% (0.50   1.0  1.00   5.61  33.81) =   2.680%  kept
          QG1   VAL   18 - QG2   VAL   70   5.77 +/- 1.68   5.891% *  1.8070% (0.53   1.0  1.00   0.47   0.02) =   0.169%  kept
          HB3   LEU   63 - QG2   VAL   70   6.27 +/- 1.64   4.967% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QG2   VAL   70  10.16 +/- 2.74   1.151% *  0.0719% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QG2   VAL   70  10.15 +/- 3.52   1.209% *  0.0472% (0.33   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.78 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 = 5.3, residual support = 138.2:
    * O T HB2   LEU   71 - HA    LEU   71   2.69 +/- 0.32  81.863% * 99.5520% (1.00  10.0 10.00   5.31 138.26) =  99.987%  kept
          HB3   GLN   17 - HA    LEU   71   7.68 +/- 3.32   6.930% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HA    LEU   71   9.59 +/- 1.44   2.626% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    LEU   71   8.20 +/- 2.13   4.973% *  0.0340% (0.34   1.0  1.00   0.02   2.81) =   0.002%
          QB    LYS+  66 - HA    LEU   71   9.88 +/- 1.20   2.105% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LEU   71  16.28 +/- 2.85   0.499% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  19.83 +/- 3.20   0.348% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  15.16 +/- 2.93   0.655% *  0.0222% (0.22   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 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.3:
    * O T HB3   LEU   71 - HA    LEU   71   2.49 +/- 0.19  98.191% * 99.6783% (1.00  10.0 10.00   4.31 138.26) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  14.04 +/- 2.22   0.859% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    LEU   71  21.58 +/- 4.46   0.281% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  22.15 +/- 3.15   0.209% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  18.43 +/- 2.28   0.347% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  25.65 +/- 3.04   0.112% *  0.0447% (0.45   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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.1, residual support = 128.1:
    *   T QD1   LEU   71 - HA    LEU   71   3.75 +/- 0.30  44.681% * 81.2117% (1.00 10.00   4.06 138.26) =  90.402%  kept
          QG1   VAL   70 - HA    LEU   71   5.27 +/- 0.61  20.343% * 17.9360% (0.92  1.00   4.78  33.81) =   9.090%  kept
          QG1   VAL   18 - HA    LEU   71   5.89 +/- 3.15  29.788% *  0.6756% (0.84  1.00   0.20   0.02) =   0.501%  kept
          QD1   LEU  123 - HA    LEU   71  14.56 +/- 3.22   1.155% *  0.0812% (1.00  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU   71  10.48 +/- 2.01   2.938% *  0.0277% (0.34  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    LEU   71  15.09 +/- 4.17   1.096% *  0.0678% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 4.04 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 = 0.996, support = 4.97, residual support = 137.2:
    *   T QD2   LEU   71 - HA    LEU   71   2.78 +/- 0.57  59.913% * 96.0119% (1.00 10.00   5.00 138.26) =  99.265%  kept
          QD1   LEU   67 - HA    LEU   71   6.08 +/- 1.94  18.763% *  1.6972% (0.45  1.00   0.79   0.02) =   0.550%  kept
          QD2   LEU   40 - HA    LEU   71   6.74 +/- 1.58  16.245% *  0.4681% (0.41  1.00   0.24   1.87) =   0.131%  kept
          HG3   LYS+  74 - HA    LEU   71  11.07 +/- 1.43   1.826% *  1.5911% (0.69  1.00   0.48   0.13) =   0.050%
          QG2   ILE  119 - HA    LEU   71  13.81 +/- 2.95   1.403% *  0.0833% (0.87  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LEU   71  13.83 +/- 2.19   0.823% *  0.0941% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  13.66 +/- 2.62   1.028% *  0.0544% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.30 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 = 138.3:
    * O T HA    LEU   71 - HB2   LEU   71   2.69 +/- 0.32  95.290% * 99.9402% (1.00  10.0 10.00   5.31 138.26) =  99.999%  kept
          HA    VAL   43 - HB2   LEU   71  10.76 +/- 2.93   3.416% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB2   LEU   71  11.78 +/- 1.49   1.294% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 138.3:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.430% * 99.6783% (1.00  10.0 10.00   4.97 138.26) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  14.90 +/- 2.64   0.289% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.03 +/- 4.73   0.079% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.52 +/- 3.62   0.063% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  19.59 +/- 2.73   0.102% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  26.76 +/- 3.66   0.037% *  0.0447% (0.45   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 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.98, residual support = 136.6:
    * O T QD1   LEU   71 - HB2   LEU   71   2.27 +/- 0.26  86.537% * 79.4298% (1.00  10.0 10.00   4.97 138.26) =  98.470%  kept
          QG1   VAL   70 - HB2   LEU   71   6.15 +/- 0.65   5.211% * 19.7366% (0.92   1.0  1.00   5.38  33.81) =   1.473%  kept
          QG1   VAL   18 - HB2   LEU   71   7.65 +/- 2.73   5.783% *  0.6608% (0.84   1.0  1.00   0.20   0.02) =   0.055%
          HB3   LEU  104 - HB2   LEU   71  14.52 +/- 5.09   0.921% *  0.0663% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   71  15.17 +/- 3.40   0.611% *  0.0794% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU   71  12.34 +/- 1.89   0.937% *  0.0271% (0.34   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 5.4, residual support = 137.4:
    * O T QD2   LEU   71 - HB2   LEU   71   3.08 +/- 0.25  64.725% * 96.7537% (1.00  10.0 10.00   5.43 138.26) =  99.337%  kept
          QD2   LEU   40 - HB2   LEU   71   6.26 +/- 2.09  22.473% *  1.2360% (0.41   1.0  1.00   0.62   1.87) =   0.441%  kept
          QD1   LEU   67 - HB2   LEU   71   7.77 +/- 1.71   7.978% *  1.7103% (0.45   1.0  1.00   0.79   0.02) =   0.216%  kept
          QG2   ILE  119 - HB2   LEU   71  14.77 +/- 3.04   1.374% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   LEU   71  13.66 +/- 2.90   1.061% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   LEU   71  13.51 +/- 3.45   1.373% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   LEU   71  13.20 +/- 1.52   1.016% *  0.0665% (0.69   1.0  1.00   0.02   0.13) =   0.001%
    Distance limit 3.55 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 = 138.3:
    * O T HA    LEU   71 - HB3   LEU   71   2.49 +/- 0.19  94.932% * 99.9402% (1.00  10.0 10.00   4.31 138.26) =  99.999%  kept
          HA    VAL   43 - HB3   LEU   71  10.72 +/- 2.91   3.475% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB3   LEU   71  11.04 +/- 1.71   1.593% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 138.3:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  94.180% * 99.3538% (1.00  10.0 10.00   4.97 138.26) =  99.996%  kept
          HB3   GLN   17 - HB3   LEU   71   8.23 +/- 3.29   1.853% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   8.35 +/- 2.86   2.622% *  0.0339% (0.34   1.0  1.00   0.02   2.81) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  15.52 +/- 3.83   0.236% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB3   LEU   71  11.28 +/- 1.67   0.470% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.61 +/- 1.39   0.381% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  16.17 +/- 3.73   0.164% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.28 +/- 3.59   0.093% *  0.0796% (0.80   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 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 = 0.998, support = 3.76, residual support = 136.0:
    * O T QD1   LEU   71 - HB3   LEU   71   2.65 +/- 0.36  76.256% * 81.1810% (1.00  10.0 10.00   3.74 138.26) =  97.892%  kept
          QG1   VAL   70 - HB3   LEU   71   6.45 +/- 0.75   6.864% * 17.9670% (0.92   1.0  1.00   4.80  33.81) =   1.950%  kept
          QG1   VAL   18 - HB3   LEU   71   7.19 +/- 2.62  14.556% *  0.6753% (0.84   1.0  1.00   0.20   0.02) =   0.155%  kept
          HB3   LEU  104 - HB3   LEU   71  15.31 +/- 4.93   0.769% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB3   LEU   71  15.39 +/- 3.48   0.587% *  0.0812% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  12.33 +/- 2.06   0.967% *  0.0277% (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 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 137.9:
    * O T QD2   LEU   71 - HB3   LEU   71   2.56 +/- 0.33  70.324% * 97.4989% (1.00  10.0 10.00   4.43 138.26) =  99.714%  kept
          QD2   LEU   40 - HB3   LEU   71   6.77 +/- 2.27  21.291% *  0.4753% (0.41   1.0  1.00   0.24   1.87) =   0.147%  kept
          QD1   LEU   67 - HB3   LEU   71   7.75 +/- 1.82   5.390% *  1.7235% (0.45   1.0  1.00   0.79   0.02) =   0.135%  kept
          QG2   ILE  119 - HB3   LEU   71  14.88 +/- 3.23   0.893% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB3   LEU   71  12.68 +/- 1.39   0.871% *  0.0670% (0.69   1.0  1.00   0.02   0.13) =   0.001%
          QD1   ILE  103 - HB3   LEU   71  14.12 +/- 2.82   0.559% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  14.02 +/- 3.31   0.671% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 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 = 138.3:
    *   T HA    LEU   71 - QD1   LEU   71   3.75 +/- 0.30  88.031% * 99.9402% (1.00 10.00   4.06 138.26) =  99.996%  kept
          HA    ALA   20 - QD1   LEU   71  10.74 +/- 1.29   4.952% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD1   LEU   71  10.35 +/- 2.27   7.016% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
    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 = 138.2:
    * O T HB2   LEU   71 - QD1   LEU   71   2.27 +/- 0.26  85.608% * 99.5520% (1.00  10.0 10.00   4.97 138.26) =  99.990%  kept
          HB3   GLN   17 - QD1   LEU   71   7.56 +/- 2.85   5.895% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - QD1   LEU   71   8.00 +/- 2.40   4.217% *  0.0340% (0.34   1.0  1.00   0.02   2.81) =   0.002%
          QB    LYS+  65 - QD1   LEU   71  10.44 +/- 1.10   1.192% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.41 +/- 1.23   1.310% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  13.82 +/- 3.31   0.613% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD1   LEU   71  18.78 +/- 3.30   0.291% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  13.70 +/- 3.35   0.874% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 138.3:
    * O T HB3   LEU   71 - QD1   LEU   71   2.65 +/- 0.36  97.265% * 99.6783% (1.00  10.0 10.00   3.74 138.26) =  99.998%  kept
          QG2   THR   94 - QD1   LEU   71  13.52 +/- 2.26   1.405% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   LEU   71  20.20 +/- 4.19   0.385% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  20.58 +/- 3.33   0.306% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  17.61 +/- 2.26   0.454% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  23.34 +/- 3.35   0.186% *  0.0447% (0.45   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 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 = 0.997, support = 4.16, residual support = 137.7:
    * O T QD2   LEU   71 - QD1   LEU   71   2.01 +/- 0.07  75.855% * 97.8112% (1.00  10.0 10.00   4.18 138.26) =  99.568%  kept
          QD2   LEU   40 - QD1   LEU   71   5.85 +/- 2.07  17.248% *  1.8417% (0.41   1.0  1.00   0.92   1.87) =   0.426%  kept
          QD1   LEU   67 - QD1   LEU   71   7.38 +/- 1.65   4.113% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - QD1   LEU   71  12.82 +/- 3.09   1.239% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   LEU   71  12.37 +/- 2.46   0.465% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD1   LEU   71  12.27 +/- 3.00   0.671% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  12.14 +/- 1.29   0.409% *  0.0672% (0.69   1.0  1.00   0.02   0.13) =   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 = 138.3:
    *   T HA    LEU   71 - QD2   LEU   71   2.78 +/- 0.57  90.205% * 99.9402% (1.00 10.00   5.00 138.26) =  99.997%  kept
          HA    VAL   43 - QD2   LEU   71   9.09 +/- 2.01   6.626% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - QD2   LEU   71   9.65 +/- 1.24   3.169% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.08 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 138.2:
    * O T HB2   LEU   71 - QD2   LEU   71   3.08 +/- 0.25  64.451% * 99.3538% (1.00  10.0 10.00   5.43 138.26) =  99.962%  kept
          HB3   GLN   17 - QD2   LEU   71   7.17 +/- 2.86  19.466% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.020%
          QB    LYS+  65 - QD2   LEU   71   9.28 +/- 1.22   3.169% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T HG12  ILE  103 - QD2   LEU   71  13.48 +/- 2.75   1.348% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QD2   LEU   71   7.51 +/- 1.62   6.953% *  0.0339% (0.34   1.0  1.00   0.02   2.81) =   0.004%
          QB    LYS+  66 - QD2   LEU   71   9.51 +/- 1.19   2.886% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD2   LEU   71  14.04 +/- 2.66   0.978% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD2   LEU   71  17.47 +/- 3.33   0.750% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 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 = 4.43, residual support = 138.3:
    * O T HB3   LEU   71 - QD2   LEU   71   2.56 +/- 0.33  96.911% * 99.2790% (1.00  10.0 10.00   4.43 138.26) =  99.997%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  22.32 +/- 3.12   0.237% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  12.64 +/- 2.05   1.455% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  19.03 +/- 4.22   0.524% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD2   LEU   71  19.49 +/- 3.22   0.399% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.42 +/- 1.86   0.474% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.18, residual support = 136.3:
    * O T QD1   LEU   71 - QD2   LEU   71   2.01 +/- 0.07  77.709% * 81.1882% (1.00  10.0 10.00   4.18 138.26) =  98.205%  kept
          QG1   VAL   70 - QD2   LEU   71   5.09 +/- 0.82   5.899% * 17.9597% (0.92   1.0  1.00   4.79  33.81) =   1.649%  kept
          QG1   VAL   18 - QD2   LEU   71   6.11 +/- 1.93  13.658% *  0.6754% (0.84   1.0  1.00   0.20   0.02) =   0.144%  kept
          HB3   LEU  104 - QD2   LEU   71  13.25 +/- 3.74   0.947% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD2   LEU   71  12.63 +/- 3.24   0.766% *  0.0812% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71  10.01 +/- 1.88   1.021% *  0.0277% (0.34   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 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 = 3.99, residual support = 90.1:
    * O T HB2   PHE   72 - HA    PHE   72   2.54 +/- 0.14  93.076% * 93.5864% (0.64  10.0 10.00   4.00  90.29) =  99.578%  kept
          HA    ALA   64 - HA    PHE   72   7.24 +/- 0.87   5.788% *  6.3716% (0.55   1.0  1.00   1.57  46.06) =   0.422%  kept
          HB3   ASN   69 - HA    PHE   72  11.24 +/- 0.62   1.136% *  0.0421% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 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 = 4.55, residual support = 90.3:
    * O T HB3   PHE   72 - HA    PHE   72   2.55 +/- 0.11  81.442% * 99.4196% (0.66  10.0 10.00   4.56  90.29) =  99.980%  kept
          HB2   ASP-  44 - HA    PHE   72   8.32 +/- 2.28   8.313% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.011%
          HG12  ILE  119 - HA    PHE   72  15.04 +/- 3.32   5.075% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HA    PHE   72  10.29 +/- 3.12   1.827% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HA    PHE   72  12.37 +/- 2.92   1.289% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - HA    PHE   72  17.32 +/- 3.68   0.641% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    PHE   72  18.23 +/- 1.73   0.241% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  11.87 +/- 2.33   1.171% *  0.0177% (0.12   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 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.0, residual support = 90.3:
    * O T HA    PHE   72 - HB2   PHE   72   2.54 +/- 0.14 100.000% *100.0000% (0.64  10.0 10.00   4.00  90.29) = 100.000%  kept
    Distance limit 3.97 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 = 0.724, support = 4.21, residual support = 90.3:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  82.651% * 99.4196% (0.72  10.0 10.00   4.21  90.29) =  99.981%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.71 +/- 2.14  11.728% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.015%
          HG12  ILE  119 - HB2   PHE   72  13.32 +/- 3.17   4.466% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HB2   PHE   72  11.72 +/- 2.39   0.351% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  13.70 +/- 2.41   0.267% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.76 +/- 3.46   0.135% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  16.85 +/- 1.84   0.104% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  12.95 +/- 1.98   0.298% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.56, residual support = 90.3:
    * O T HA    PHE   72 - HB3   PHE   72   2.55 +/- 0.11 100.000% *100.0000% (0.66  10.0 10.00   4.56  90.29) = 100.000%  kept
    Distance limit 3.67 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 = 0.724, support = 4.2, residual support = 90.0:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  95.494% * 88.0856% (0.72  10.0 10.00   4.21  90.29) =  99.442%  kept
          HA    ALA   64 - HB3   PHE   72   5.77 +/- 0.78   3.972% * 11.8748% (0.63   1.0  1.00   3.10  46.06) =   0.558%  kept
          HB3   ASN   69 - HB3   PHE   72  10.06 +/- 0.75   0.535% *  0.0396% (0.33   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 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 = 172.6:
    * O T HB2   LEU   73 - HA    LEU   73   2.35 +/- 0.17  96.500% * 99.4108% (1.00  10.0 10.00   5.00 172.65) =  99.998%  kept
          QD    LYS+ 106 - HA    LEU   73  16.03 +/- 2.68   0.499% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LEU   73  15.27 +/- 2.01   0.429% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  18.03 +/- 3.21   0.397% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  17.66 +/- 3.21   0.600% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  14.99 +/- 1.93   0.509% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  24.82 +/- 3.84   0.149% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.22 +/- 2.79   0.283% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.82 +/- 2.81   0.472% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  21.00 +/- 2.94   0.160% *  0.0643% (0.65   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.994, support = 5.23, residual support = 171.4:
    * O T HB3   LEU   73 - HA    LEU   73   2.71 +/- 0.23  70.027% * 93.2602% (1.00  10.0 10.00   5.24 172.65) =  99.120%  kept
          HB3   LYS+  74 - HA    LEU   73   4.75 +/- 0.44  13.966% *  3.4960% (0.18   1.0  1.00   4.28  41.48) =   0.741%  kept
          HB    VAL   42 - HA    LEU   73   8.44 +/- 1.87   3.251% *  2.5747% (0.99   1.0  1.00   0.56   0.51) =   0.127%  kept
          HG3   LYS+  33 - HA    LEU   73  10.73 +/- 3.37   2.667% *  0.0900% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HA    LEU   73   9.64 +/- 1.75   2.573% *  0.0924% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HA    LEU   73  15.71 +/- 3.26   2.039% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  11.73 +/- 2.66   1.419% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  14.16 +/- 2.89   0.710% *  0.0603% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  16.59 +/- 2.83   0.414% *  0.0861% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  20.51 +/- 4.16   0.379% *  0.0914% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    LEU   73  20.14 +/- 2.87   0.284% *  0.0931% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  13.01 +/- 2.97   0.938% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.84 +/- 1.38   0.636% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  17.88 +/- 4.46   0.435% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.35 +/- 3.11   0.262% *  0.0163% (0.18   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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.16, residual support = 170.5:
    *   T QD1   LEU   73 - HA    LEU   73   3.89 +/- 0.28  70.721% * 85.1929% (1.00 10.00   5.22 172.65) =  98.757%  kept
        T QD1   LEU   63 - HA    LEU   73  10.11 +/- 1.44   5.145% * 13.4232% (1.00 10.00   0.32   0.02) =   1.132%  kept
          QD2   LEU   63 - HA    LEU   73   9.69 +/- 1.14   5.624% *  0.7473% (0.57  1.00   0.31   0.02) =   0.069%
        T QD1   LEU  104 - HA    LEU   73  12.79 +/- 3.23   3.495% *  0.4823% (0.57 10.00   0.02   0.02) =   0.028%
          QD2   LEU  115 - HA    LEU   73  14.14 +/- 3.09   5.757% *  0.0712% (0.84  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - HA    LEU   73  12.37 +/- 3.72   5.835% *  0.0682% (0.80  1.00   0.02   0.02) =   0.007%
          QG1   VAL   83 - HA    LEU   73  12.17 +/- 2.54   3.423% *  0.0149% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 172.5:
    *   T QD2   LEU   73 - HA    LEU   73   3.04 +/- 0.47  74.578% * 98.4004% (1.00 10.00   6.18 172.65) =  99.928%  kept
          HG    LEU   31 - HA    LEU   73   9.42 +/- 1.82   3.961% *  1.1042% (0.97  1.00   0.23   2.00) =   0.060%
          QG1   VAL   41 - HA    LEU   73   8.32 +/- 2.36   8.754% *  0.0441% (0.45  1.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HA    LEU   73   7.87 +/- 3.03  11.131% *  0.0274% (0.28  1.00   0.02   4.69) =   0.004%
        T HG3   LYS+ 121 - HA    LEU   73  18.96 +/- 4.35   0.445% *  0.3357% (0.34 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LEU   73  14.59 +/- 2.49   1.132% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.23 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 172.7:
    * O T HA    LEU   73 - HB2   LEU   73   2.35 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   5.00 172.65) = 100.000%  kept
    Distance limit 4.23 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 = 0.999, support = 5.24, residual support = 172.4:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  90.695% * 92.2588% (1.00  10.0 10.00   5.24 172.65) =  99.825%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.28 +/- 0.55   3.679% *  3.4569% (0.18   1.0  1.00   4.28  41.48) =   0.152%  kept
        T HG3   LYS+  33 - HB2   LEU   73  10.78 +/- 3.69   0.689% *  0.8904% (0.97   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   PRO   93 - HB2   LEU   73  16.20 +/- 3.39   1.380% *  0.3463% (0.38   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - HB2   LEU   73  11.16 +/- 1.58   0.474% *  0.9144% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HB2   LEU   73  16.70 +/- 3.06   0.179% *  0.8517% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HB2   LEU   73  19.87 +/- 3.68   0.124% *  0.9205% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HB2   LEU   73   9.51 +/- 2.01   0.840% *  0.0914% (0.99   1.0  1.00   0.02   0.51) =   0.001%
          QB    LEU   98 - HB2   LEU   73  11.67 +/- 3.27   0.622% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  21.15 +/- 4.73   0.188% *  0.0904% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  14.62 +/- 3.39   0.273% *  0.0597% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  12.94 +/- 3.28   0.426% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  13.29 +/- 1.49   0.237% *  0.0315% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.91 +/- 4.59   0.124% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.47 +/- 2.89   0.069% *  0.0162% (0.18   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 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 172.3:
    * O T QD1   LEU   73 - HB2   LEU   73   2.38 +/- 0.24  89.342% * 85.7926% (1.00  10.0 10.00   5.22 172.65) =  99.803%  kept
        T QD1   LEU   63 - HB2   LEU   73  11.39 +/- 1.59   1.039% * 13.5177% (1.00   1.0 10.00   0.32   0.02) =   0.183%  kept
        T QD1   LEU  104 - HB2   LEU   73  13.16 +/- 3.64   1.395% *  0.4857% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   80 - HB2   LEU   73  11.48 +/- 4.11   2.741% *  0.0687% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   LEU   73  14.80 +/- 3.47   2.229% *  0.0717% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   LEU   73  11.07 +/- 1.18   1.051% *  0.0486% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU   73  11.30 +/- 2.60   2.202% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.998, support = 6.17, residual support = 172.1:
    * O T QD2   LEU   73 - HB2   LEU   73   3.04 +/- 0.29  67.519% * 97.6354% (1.00  10.0 10.00   6.18 172.65) =  99.699%  kept
          QG1   VAL   43 - HB2   LEU   73   7.75 +/- 3.43  17.744% *  1.0180% (0.28   1.0  1.00   0.75   4.69) =   0.273%  kept
        T QD1   ILE   56 - HB2   LEU   73  15.36 +/- 2.86   0.994% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   31 - HB2   LEU   73   8.74 +/- 2.30   4.353% *  0.0942% (0.97   1.0  1.00   0.02   2.00) =   0.006%
          QG1   VAL   41 - HB2   LEU   73   8.55 +/- 2.76   8.975% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - HB2   LEU   73  19.92 +/- 4.46   0.415% *  0.3330% (0.34   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.33 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 = 5.24, residual support = 172.7:
    * O T HA    LEU   73 - HB3   LEU   73   2.71 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   5.24 172.65) = 100.000%  kept
    Distance limit 3.85 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 = 5.24, residual support = 172.6:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  98.347% * 98.2609% (1.00  10.0 10.00   5.24 172.65) =  99.998%  kept
        T QD    LYS+ 102 - HB3   LEU   73  17.65 +/- 3.22   0.170% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU   73  24.41 +/- 4.02   0.057% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HB3   LEU   73  15.43 +/- 2.64   0.215% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  17.33 +/- 3.07   0.320% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  15.39 +/- 2.11   0.177% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  17.59 +/- 3.05   0.149% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  15.32 +/- 2.44   0.293% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.76 +/- 3.04   0.211% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.91 +/- 2.77   0.060% *  0.0636% (0.65   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 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 = 0.999, support = 5.4, residual support = 172.0:
    * O T QD1   LEU   73 - HB3   LEU   73   2.43 +/- 0.27  85.820% * 85.2655% (1.00  10.0 10.00   5.42 172.65) =  99.642%  kept
        T QD1   LEU   63 - HB3   LEU   73  10.95 +/- 1.73   1.645% * 13.4346% (1.00   1.0 10.00   0.32   0.02) =   0.301%  kept
        T QD1   LEU  104 - HB3   LEU   73  12.76 +/- 3.67   4.603% *  0.4827% (0.57   1.0 10.00   0.02   0.02) =   0.030%
        T QD2   LEU   80 - HB3   LEU   73  11.19 +/- 4.39   2.557% *  0.6828% (0.80   1.0 10.00   0.02   0.02) =   0.024%
          QD2   LEU  115 - HB3   LEU   73  14.26 +/- 3.32   2.246% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   LEU   73  10.62 +/- 1.25   1.455% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73  10.91 +/- 2.93   1.674% *  0.0149% (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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.64, residual support = 172.5:
    * O T QD2   LEU   73 - HB3   LEU   73   2.65 +/- 0.32  68.034% * 99.1570% (1.00  10.0 10.00   6.65 172.65) =  99.896%  kept
        T QG1   VAL   43 - HB3   LEU   73   7.11 +/- 3.47  22.881% *  0.2757% (0.28   1.0 10.00   0.02   4.69) =   0.093%
          HG    LEU   31 - HB3   LEU   73   8.51 +/- 2.21   2.812% *  0.0957% (0.97   1.0  1.00   0.02   2.00) =   0.004%
          QG1   VAL   41 - HB3   LEU   73   8.31 +/- 2.62   4.018% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   73  14.87 +/- 2.87   1.932% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   73  19.54 +/- 4.09   0.324% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.32 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 = 5.17, residual support = 170.7:
    *   T HA    LEU   73 - QD1   LEU   73   3.89 +/- 0.28  89.110% * 86.2061% (1.00 10.00   5.22 172.65) =  98.851%  kept
        T HA    LEU   73 - QD1   LEU   63  10.11 +/- 1.44   6.506% * 13.5828% (1.00 10.00   0.32   0.02) =   1.137%  kept
        T HA    LEU   73 - QD1   LEU  104  12.79 +/- 3.23   4.384% *  0.2110% (0.24 10.00   0.02   0.02) =   0.012%
    Distance limit 5.00 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 = 0.946, support = 5.02, residual support = 163.5:
    * O T HB2   LEU   73 - QD1   LEU   73   2.38 +/- 0.24  33.871% * 90.8333% (1.00  10.0 10.00   5.22 172.65) =  94.056%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.64 +/- 0.76  30.812% *  4.9263% (0.05   1.0 10.00   1.99  18.65) =   4.640%  kept
          QD    LYS+  99 - QD1   LEU  104   3.26 +/- 1.03  21.641% *  1.9267% (0.23   1.0  1.00   1.88  18.65) =   1.275%  kept
        T HB2   LEU   73 - QD1   LEU   63  11.39 +/- 1.59   0.338% *  0.9083% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LEU   73 - QD1   LEU  104  13.16 +/- 3.64   0.692% *  0.2223% (0.24   1.0 10.00   0.02   0.02) =   0.005%
          QG1   ILE   56 - QD1   LEU   63   6.30 +/- 1.40   2.569% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   63  11.90 +/- 3.49   0.581% *  0.0859% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD1   LEU   73  15.24 +/- 2.87   0.837% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   63  12.84 +/- 3.48   0.481% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   63  11.26 +/- 2.99   0.499% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  12.45 +/- 2.81   0.304% *  0.0877% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD1   LEU   73  13.64 +/- 2.49   0.917% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   63  11.14 +/- 2.70   0.465% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  12.91 +/- 2.40   0.298% *  0.0859% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  12.67 +/- 2.03   0.302% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.07 +/- 0.87   0.977% *  0.0210% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  15.30 +/- 2.48   0.209% *  0.0877% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   7.21 +/- 1.37   1.576% *  0.0091% (0.10   1.0  1.00   0.02   0.32) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  15.76 +/- 3.30   0.158% *  0.0815% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  14.22 +/- 2.95   0.291% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  13.46 +/- 3.86   0.426% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.96 +/- 3.61   0.105% *  0.0815% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  12.93 +/- 2.82   0.364% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  16.22 +/- 3.29   0.166% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  14.20 +/- 5.36   0.400% *  0.0144% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  19.12 +/- 2.69   0.087% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.45 +/- 1.85   0.106% *  0.0215% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.81 +/- 2.92   0.311% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  18.32 +/- 3.13   0.095% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  16.64 +/- 1.87   0.123% *  0.0135% (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 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.993, support = 5.39, residual support = 171.2:
    * O T HB3   LEU   73 - QD1   LEU   73   2.43 +/- 0.27  38.662% * 89.8884% (1.00  10.0 10.00   5.42 172.65) =  99.056%  kept
          HB3   LYS+  74 - QD1   LEU   73   5.87 +/- 0.66   4.230% *  3.2834% (0.18   1.0  1.00   4.17  41.48) =   0.396%  kept
          QB    LEU   98 - QD1   LEU  104   4.79 +/- 0.77   7.217% *  1.2987% (0.09   1.0  1.00   3.15  10.64) =   0.267%  kept
          HB    VAL   42 - QD1   LEU   73   8.20 +/- 1.80   2.180% *  2.4983% (0.99   1.0  1.00   0.56   0.51) =   0.155%  kept
          HG    LEU   98 - QD1   LEU  104   5.62 +/- 1.02   4.925% *  0.3477% (0.06   1.0  1.00   1.27  10.64) =   0.049%
        T HB3   LEU   73 - QD1   LEU   63  10.95 +/- 1.73   0.693% *  0.8989% (1.00   1.0 10.00   0.02   0.02) =   0.018%
          HB    VAL   42 - QD1   LEU   63   6.93 +/- 2.88   5.578% *  0.0891% (0.99   1.0  1.00   0.02   0.02) =   0.014%
        T HB3   LEU   73 - QD1   LEU  104  12.76 +/- 3.67   1.677% *  0.2200% (0.24   1.0 10.00   0.02   0.02) =   0.011%
          HG3   LYS+  33 - QD1   LEU   73   8.58 +/- 3.11   1.508% *  0.0867% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QD1   LEU   63   8.03 +/- 1.05   1.460% *  0.0891% (0.99   1.0  1.00   0.02   3.15) =   0.004%
          HB2   LYS+ 112 - QD1   LEU   63  11.32 +/- 2.86   1.282% *  0.0881% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QD1   LEU  104   7.27 +/- 3.42   4.184% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD1   LEU   73   9.04 +/- 3.07   2.405% *  0.0337% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   63  12.25 +/- 4.09   0.771% *  0.0830% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD1   LEU   73  17.97 +/- 3.99   0.685% *  0.0881% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD1   LEU   73  10.73 +/- 1.43   0.536% *  0.0891% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   73  15.61 +/- 3.45   0.518% *  0.0897% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   63   9.50 +/- 2.81   1.264% *  0.0337% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  13.79 +/- 2.66   1.216% *  0.0337% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  13.39 +/- 2.51   0.401% *  0.0830% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU  104   7.94 +/- 1.00   1.423% *  0.0220% (0.24   1.0  1.00   0.02   0.32) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.63 +/- 0.69   1.462% *  0.0203% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  15.00 +/- 3.12   0.313% *  0.0867% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   73  12.77 +/- 2.77   0.464% *  0.0581% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  10.04 +/- 2.85   1.180% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  11.21 +/- 2.90   0.726% *  0.0337% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   63   9.79 +/- 2.95   1.415% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  12.35 +/- 3.85   0.798% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.82 +/- 2.05   0.521% *  0.0307% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   9.71 +/- 6.27   4.535% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.23 +/- 3.53   0.689% *  0.0212% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63   9.95 +/- 1.80   0.889% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  18.11 +/- 3.61   0.154% *  0.0897% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.37 +/- 2.65   0.215% *  0.0581% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.70 +/- 2.12   0.372% *  0.0307% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.20 +/- 3.18   0.453% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  11.95 +/- 2.33   0.480% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.87 +/- 4.31   0.375% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  17.66 +/- 4.16   0.329% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  16.65 +/- 2.65   0.207% *  0.0216% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.54 +/- 2.49   0.353% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.33 +/- 5.70   0.595% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.59 +/- 2.42   0.133% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.38 +/- 1.53   0.177% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  14.73 +/- 2.52   0.350% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.02 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 = 0.998, support = 6.33, residual support = 169.3:
    * O T QD2   LEU   73 - QD1   LEU   73   2.04 +/- 0.06  42.747% * 70.9022% (1.00  10.0 10.00   6.42 172.65) =  98.057%  kept
          HG    LEU   31 - QD1   LEU   73   5.48 +/- 2.43   5.209% *  7.8805% (0.97   1.0  1.00   2.30   2.00) =   1.328%  kept
        T QD2   LEU   73 - QD1   LEU   63   8.57 +/- 1.40   0.739% * 19.5152% (1.00   1.0 10.00   0.55   0.02) =   0.467%  kept
        T QG1   VAL   41 - QD1   LEU   73   6.60 +/- 2.54   5.107% *  0.3179% (0.45   1.0 10.00   0.02   0.02) =   0.053%
        T QG1   VAL   41 - QD1   LEU  104   6.37 +/- 3.13   8.895% *  0.0778% (0.11   1.0 10.00   0.02   0.02) =   0.022%
          QD1   ILE   56 - QD1   LEU   63   6.37 +/- 1.93   9.002% *  0.0636% (0.90   1.0  1.00   0.02   0.02) =   0.019%
        T QD2   LEU   73 - QD1   LEU  104   9.37 +/- 3.08   2.652% *  0.1736% (0.24   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+ 121 - QD1   LEU  104   9.92 +/- 6.28   5.075% *  0.0592% (0.08   1.0 10.00   0.02   0.02) =   0.010%
        T QG1   VAL   41 - QD1   LEU   63   9.53 +/- 2.41   0.814% *  0.3179% (0.45   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   43 - QD1   LEU   73   5.99 +/- 2.97  11.820% *  0.0197% (0.28   1.0  1.00   0.02   4.69) =   0.008%
        T HG3   LYS+ 121 - QD1   LEU   63  10.60 +/- 3.08   0.630% *  0.2419% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - QD1   LEU   73  13.16 +/- 2.84   2.011% *  0.0636% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - QD1   LEU   63  13.48 +/- 3.33   0.911% *  0.0684% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - QD1   LEU   73  16.62 +/- 4.22   0.174% *  0.2419% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   63   8.25 +/- 2.74   1.509% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  11.17 +/- 3.93   1.347% *  0.0167% (0.24   1.0  1.00   0.02   0.30) =   0.001%
          QG1   VAL   43 - QD1   LEU  104   7.77 +/- 1.60   1.055% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.50 +/- 2.79   0.302% *  0.0156% (0.22   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 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 172.6:
    *   T HA    LEU   73 - QD2   LEU   73   3.04 +/- 0.47  99.407% * 99.6602% (1.00 10.00   6.18 172.65) =  99.998%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.96 +/- 4.35   0.593% *  0.3398% (0.34 10.00   0.02   0.02) =   0.002%
    Distance limit 3.16 A violated in 0 structures by 0.11 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 172.3:
    * O T HB2   LEU   73 - QD2   LEU   73   3.04 +/- 0.29  64.817% * 95.1362% (1.00  10.0 10.00   6.18 172.65) =  99.780%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.37 +/- 0.39   3.381% *  3.4498% (0.22   1.0 10.00   0.33   2.59) =   0.189%  kept
        T QG1   ILE   56 - QD2   LEU   73  12.34 +/- 2.22   2.045% *  0.2936% (0.31   1.0 10.00   0.02   0.02) =   0.010%
          HB3   MET   92 - HG3   LYS+ 121  18.81 +/- 4.14   6.611% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - QD2   LEU   73  11.54 +/- 2.00   1.801% *  0.0878% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - QD2   LEU   73  11.87 +/- 2.18   1.529% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+ 121  19.92 +/- 4.46   0.389% *  0.3244% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  12.39 +/- 1.33   1.119% *  0.1001% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD2   LEU   73  14.06 +/- 2.66   1.683% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HG3   LYS+ 121  13.24 +/- 6.46   3.126% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HG3   LYS+ 121  11.89 +/- 4.80   2.976% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU   73  14.27 +/- 2.36   0.848% *  0.0918% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD2   LEU   73  11.69 +/- 2.82   2.494% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  13.63 +/- 2.58   1.203% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  19.83 +/- 2.83   0.313% *  0.0853% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  16.93 +/- 3.49   1.295% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.49 +/- 2.52   0.397% *  0.0615% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  14.00 +/- 7.17   2.712% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  16.46 +/- 6.30   0.891% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  18.10 +/- 2.52   0.370% *  0.0291% (0.31   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.94, support = 6.54, residual support = 178.1:
    * O T HB3   LEU   73 - QD2   LEU   73   2.65 +/- 0.32  33.147% * 85.6162% (1.00  10.0 10.00   6.65 172.65) =  92.621%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.46 +/- 0.29  38.986% *  4.5047% (0.05  10.0 10.00   5.98 313.21) =   5.732%  kept
          HB    VAL   42 - QD2   LEU   73   6.10 +/- 1.78   6.776% *  4.5003% (0.99   1.0  1.00   1.06   0.51) =   0.995%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.60 +/- 0.75   4.683% *  4.1147% (0.18   1.0  1.00   5.49  41.48) =   0.629%  kept
          HG3   LYS+  33 - QD2   LEU   73   8.56 +/- 2.83   1.817% *  0.0826% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QB    LEU   98 - QD2   LEU   73   8.19 +/- 2.73   2.795% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QD2   LEU   73   9.53 +/- 1.54   0.932% *  0.0849% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 121 - QD2   LEU   73  14.14 +/- 4.31   0.420% *  0.1321% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD2   LEU   73  12.52 +/- 2.48   1.579% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD2   LEU   73  16.68 +/- 3.21   0.542% *  0.0839% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73   9.03 +/- 2.76   1.556% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   73  12.14 +/- 2.28   0.417% *  0.0790% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HG3   LYS+ 121  19.54 +/- 4.09   0.112% *  0.2920% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  12.45 +/- 4.81   1.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  15.00 +/- 2.70   0.242% *  0.0854% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  10.77 +/- 2.32   0.693% *  0.0292% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  13.01 +/- 2.46   0.356% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  12.50 +/- 5.47   0.710% *  0.0270% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG3   LYS+ 121  13.57 +/- 5.32   0.608% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  18.37 +/- 7.20   0.205% *  0.0291% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  15.99 +/- 3.26   0.424% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.79 +/- 1.43   0.157% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.49 +/- 0.95   0.730% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  15.13 +/- 6.10   0.452% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  17.84 +/- 1.83   0.113% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  16.28 +/- 2.57   0.179% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  22.00 +/- 4.43   0.080% *  0.0282% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  18.99 +/- 2.82   0.112% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.27 +/- 4.26   0.046% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  20.23 +/- 4.23   0.128% *  0.0051% (0.06   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.41, residual support = 172.5:
    * O T QD1   LEU   73 - QD2   LEU   73   2.04 +/- 0.06  63.167% * 97.3141% (1.00  10.0 10.00   6.42 172.65) =  99.890%  kept
        T QD1   LEU  104 - QD2   LEU   73   9.37 +/- 3.08   3.785% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.034%
        T QD1   LEU  104 - HG3   LYS+ 121   9.92 +/- 6.28   9.913% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.030%
        T QD1   LEU   63 - QD2   LEU   73   8.57 +/- 1.40   1.090% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.017%
          QD2   LEU  115 - QD2   LEU   73  11.43 +/- 2.58  10.831% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.014%
          QD2   LEU   80 - QD2   LEU   73   9.85 +/- 4.65   4.460% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T QD1   LEU   63 - HG3   LYS+ 121  10.60 +/- 3.08   0.907% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - HG3   LYS+ 121  16.62 +/- 4.22   0.248% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD2   LEU   73   8.36 +/- 1.12   1.115% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73   9.23 +/- 3.62   2.661% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   LYS+ 121  10.45 +/- 3.46   1.077% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121  10.06 +/- 0.65   0.549% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.50 +/- 3.97   0.082% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  19.89 +/- 3.73   0.113% *  0.0058% (0.06   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 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 = 186.7:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.70 +/- 0.28  71.729% * 99.4757% (0.64  10.0 10.00   6.31 186.70) =  99.982%  kept
          HG2   LYS+  65 - HA    LYS+  74   7.65 +/- 2.07   7.056% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   67 - HA    LYS+  74  10.10 +/- 2.71   7.438% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HA    LYS+  74   9.07 +/- 1.92   3.138% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  115 - HA    LYS+  74  14.61 +/- 3.15   1.925% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - HA    LYS+  74  15.19 +/- 3.75   6.292% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  74  13.82 +/- 1.23   0.608% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LYS+  74  16.65 +/- 2.24   0.394% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  12.16 +/- 1.22   0.975% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  16.80 +/- 3.39   0.446% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.7:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.57 +/- 0.42  89.362% * 99.1206% (0.80  10.0 10.00   6.28 186.70) =  99.990%  kept
          HG13  ILE   19 - HA    LYS+  74   8.83 +/- 2.87   4.751% *  0.0915% (0.74   1.0  1.00   0.02   8.40) =   0.005%
        T HG3   LYS+ 111 - HA    LYS+  74  22.04 +/- 3.12   0.300% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  74  11.67 +/- 0.89   1.085% *  0.0989% (0.80   1.0  1.00   0.02   0.13) =   0.001%
          QG2   THR   39 - HA    LYS+  74  11.98 +/- 1.68   1.231% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+  74  13.35 +/- 2.24   0.915% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  14.96 +/- 2.45   0.627% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  17.66 +/- 1.53   0.366% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  13.22 +/- 1.95   1.111% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.01 +/- 1.46   0.254% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.55, residual support = 180.1:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.54 +/- 0.37  48.853% * 92.2639% (0.80  10.0 10.00   5.57 186.70) =  95.721%  kept
          HB    VAL   75 - HA    LYS+  74   4.35 +/- 0.27  27.247% *  7.3275% (0.25   1.0  1.00   5.15  31.92) =   4.240%  kept
          QD1   LEU   67 - HA    LYS+  74   7.36 +/- 2.10  14.262% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.026%
          QD2   LEU   71 - HA    LYS+  74   9.14 +/- 0.58   3.005% *  0.0634% (0.55   1.0  1.00   0.02   0.13) =   0.004%
          QD2   LEU   40 - HA    LYS+  74  10.88 +/- 1.07   1.890% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - HA    LYS+  74  13.97 +/- 1.75   1.425% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HA    LYS+  74  13.72 +/- 2.34   1.983% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HA    LYS+  74  13.57 +/- 2.38   1.334% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.32 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.7:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.05 +/- 0.62  79.513% * 99.2156% (0.80 10.00   5.91 186.70) =  99.982%  kept
          QD    LYS+  65 - HA    LYS+  74   8.00 +/- 1.96  12.029% *  0.0562% (0.45  1.00   0.02   0.02) =   0.009%
          QB    ALA   57 - HA    LYS+  74  11.69 +/- 3.22   3.492% *  0.0861% (0.69  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HA    LYS+  74  17.96 +/- 1.78   0.540% *  0.3384% (0.27 10.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HA    LYS+  74  12.78 +/- 2.63   1.519% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  74  13.22 +/- 2.12   1.654% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  17.06 +/- 3.18   0.613% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  23.24 +/- 3.25   0.261% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.64 +/- 3.29   0.378% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.25 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.7:
    *   T QE    LYS+  74 - HA    LYS+  74   3.27 +/- 0.45  80.830% * 99.7560% (0.80 10.00   4.93 186.70) =  99.990%  kept
          HB2   PHE   72 - HA    LYS+  74   6.15 +/- 0.55  14.141% *  0.0308% (0.25  1.00   0.02   1.24) =   0.005%
          QB    CYS   50 - HA    LYS+  74  12.66 +/- 2.49   1.887% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HA    LYS+  74  14.42 +/- 1.94   1.143% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.66 +/- 0.81   1.998% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.86 A violated in 0 structures by 0.48 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.7:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.70 +/- 0.28  98.519% * 99.8966% (0.64  10.0 10.00   6.31 186.70) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  14.82 +/- 2.74   0.869% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  16.56 +/- 3.51   0.612% *  0.0278% (0.18   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 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 = 0.8, support = 5.84, residual support = 186.5:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.97 +/- 0.10  86.460% * 98.1981% (0.80  10.0 10.00   5.85 186.70) =  99.913%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.74 +/- 2.71   6.753% *  1.0213% (0.74   1.0  1.00   0.23   8.40) =   0.081%
          HG    LEU   71 - HB2   LYS+  74  12.56 +/- 1.30   1.391% *  0.0980% (0.80   1.0  1.00   0.02   0.13) =   0.002%
        T HG3   LYS+ 111 - HB2   LYS+  74  23.65 +/- 3.51   0.239% *  0.3685% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB2   LYS+  74  12.73 +/- 1.95   1.399% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+  74  14.76 +/- 2.74   1.288% *  0.0440% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  16.08 +/- 2.68   0.748% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  18.78 +/- 2.04   0.396% *  0.0980% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  14.48 +/- 2.27   1.052% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.88 +/- 1.94   0.275% *  0.0335% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.797, support = 5.26, residual support = 185.3:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.70 +/- 0.17  76.653% * 91.5696% (0.80  10.0 10.00   5.27 186.70) =  99.157%  kept
          HB    VAL   75 - HB2   LYS+  74   6.20 +/- 0.64   7.583% *  6.5250% (0.25   1.0  1.00   4.62  31.92) =   0.699%  kept
        T QD1   LEU   67 - HB2   LYS+  74   8.38 +/- 2.52  10.678% *  0.8453% (0.74   1.0 10.00   0.02   0.02) =   0.128%  kept
        T QD2   LEU   40 - HB2   LYS+  74  12.10 +/- 1.77   1.091% *  0.8212% (0.72   1.0 10.00   0.02   0.02) =   0.013%
          QD2   LEU   71 - HB2   LYS+  74   9.89 +/- 1.12   1.865% *  0.0629% (0.55   1.0  1.00   0.02   0.13) =   0.002%
          QG2   ILE  103 - HB2   LYS+  74  15.21 +/- 2.22   0.625% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.84 +/- 2.74   0.842% *  0.0518% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  74  14.95 +/- 2.87   0.663% *  0.0344% (0.30   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.37 +/- 0.37  92.492% * 97.4681% (0.80  10.0 10.00   6.31 186.70) =  99.970%  kept
        T QD    LYS+  65 - HB2   LYS+  74   8.73 +/- 2.31   3.537% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.022%
        T HB2   LYS+ 121 - HB2   LYS+  74  18.84 +/- 3.96   0.604% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HB2   LYS+  74  12.57 +/- 3.66   1.176% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB2   LYS+  74  24.89 +/- 3.55   0.114% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+  74  18.79 +/- 2.44   0.262% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  12.87 +/- 2.35   0.981% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  13.85 +/- 2.09   0.655% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.24 +/- 3.84   0.179% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 186.7:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.19 +/- 0.71  79.890% * 99.7560% (0.80 10.00   4.62 186.70) =  99.989%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.72 +/- 1.15  12.910% *  0.0308% (0.25  1.00   0.02   1.24) =   0.005%
          QB    CYS   50 - HB2   LYS+  74  13.31 +/- 2.62   1.968% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HB2   LYS+  74  15.51 +/- 2.77   2.552% *  0.0762% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+  74  11.48 +/- 1.31   2.680% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.67 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 = 186.7:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.57 +/- 0.42  93.136% * 99.7790% (0.80  10.0 10.00   6.28 186.70) =  99.999%  kept
          HA    THR   94 - HG2   LYS+  74  13.91 +/- 2.32   0.787% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  74 - HG3   LYS+ 111  22.04 +/- 3.12   0.314% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  15.42 +/- 3.40   0.587% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  11.68 +/- 1.89   1.750% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  13.00 +/- 3.87   3.425% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 186.6:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.97 +/- 0.10  60.314% * 99.3145% (0.80  10.0 10.00   5.85 186.70) =  99.974%  kept
          HG2   LYS+  65 - HG2   LYS+  74   7.62 +/- 2.38   8.938% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   67 - HG2   LYS+  74  10.90 +/- 3.61  13.647% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          QG2   THR   26 - HG2   LYS+  74   9.73 +/- 1.85   3.436% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU  115 - HG2   LYS+  74  15.33 +/- 3.28   1.871% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HG2   LYS+  74  15.55 +/- 1.43   0.479% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG2   LYS+  74  15.95 +/- 3.57   2.221% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG2   LYS+  74  17.34 +/- 2.76   0.458% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HG2   LYS+  74  17.97 +/- 3.71   0.794% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   9.99 +/- 1.64   2.301% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  23.65 +/- 3.51   0.169% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  13.94 +/- 1.53   0.669% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   9.16 +/- 1.55   2.844% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.56 +/- 0.82   0.680% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  17.65 +/- 2.37   0.378% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  25.09 +/- 2.95   0.128% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  25.03 +/- 3.03   0.140% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  22.29 +/- 2.86   0.155% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  23.02 +/- 3.79   0.206% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  23.29 +/- 2.89   0.172% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.09 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 = 0.998, support = 4.54, residual support = 186.2:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  80.271% * 92.8681% (1.00  10.0 10.00   4.54 186.70) =  99.712%  kept
          HB    VAL   75 - HG2   LYS+  74   5.48 +/- 0.71   3.099% *  6.5131% (0.31   1.0  1.00   4.54  31.92) =   0.270%  kept
          QD1   LEU   67 - HG2   LYS+  74   8.06 +/- 2.71  14.338% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.016%
          QD2   LEU   71 - HG2   LYS+  74  10.47 +/- 1.07   0.427% *  0.0638% (0.69   1.0  1.00   0.02   0.13) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.38 +/- 1.35   0.260% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.34 +/- 1.73   0.171% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  15.06 +/- 2.37   0.261% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.07 +/- 3.13   0.253% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  23.55 +/- 3.31   0.042% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.32 +/- 3.12   0.051% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  15.03 +/- 2.94   0.207% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  18.32 +/- 3.26   0.126% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.70 +/- 2.85   0.140% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  13.42 +/- 1.27   0.199% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  18.95 +/- 2.53   0.082% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.28 +/- 2.51   0.072% *  0.0031% (0.03   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 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.924, support = 5.52, residual support = 197.1:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.77 +/- 0.18  44.031% * 89.4618% (1.00  10.0 10.00   5.54 186.70) =  91.664%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.76 +/- 0.28  44.334% *  7.9861% (0.09  10.0 10.00   5.40 315.33) =   8.239%  kept
        T QD    LYS+  65 - HG2   LYS+  74   7.63 +/- 2.47   7.228% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.085%
        T QD    LYS+  33 - HG2   LYS+  74  14.03 +/- 2.18   0.443% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   57 - HG2   LYS+  74  11.52 +/- 4.09   1.345% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG2   LYS+  74  23.77 +/- 3.06   0.084% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+  74  19.51 +/- 2.27   0.142% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  13.44 +/- 2.00   0.492% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.18 +/- 3.53   0.340% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  22.64 +/- 3.85   0.123% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.25 +/- 3.03   0.185% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.38 +/- 4.24   0.128% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  14.48 +/- 2.47   0.415% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.87 +/- 2.65   0.046% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.15 +/- 3.16   0.049% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.75 +/- 1.91   0.253% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.95 +/- 4.51   0.249% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.49 +/- 1.23   0.112% *  0.0054% (0.06   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 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.7:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.59 +/- 0.57  88.842% * 99.6238% (1.00  10.0 10.00   4.54 186.70) =  99.995%  kept
          QB    CYS   50 - HG2   LYS+  74  12.12 +/- 2.86   1.572% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG2   LYS+  74   8.10 +/- 1.14   3.992% *  0.0307% (0.31   1.0  1.00   0.02   1.24) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.82 +/- 1.38   2.006% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  15.49 +/- 2.67   0.782% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  19.98 +/- 3.52   0.282% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  15.43 +/- 3.53   1.778% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  26.43 +/- 3.26   0.174% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.89 +/- 4.65   0.348% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  22.26 +/- 2.64   0.222% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 186.7:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.54 +/- 0.37  97.298% * 99.8966% (0.80  10.0 10.00   5.57 186.70) =  99.999%  kept
          HA    THR   94 - HG3   LYS+  74  15.03 +/- 2.34   1.469% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG3   LYS+  74  16.36 +/- 3.49   1.233% *  0.0278% (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 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.27, residual support = 186.6:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.70 +/- 0.17  68.465% * 98.5261% (0.80  10.0 10.00   5.27 186.70) =  99.965%  kept
        T HG    LEU  115 - HG3   LYS+  74  16.32 +/- 3.44   1.099% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.014%
          HG2   LYS+  65 - HG3   LYS+  74   8.02 +/- 2.64  10.740% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.009%
          HG    LEU   67 - HG3   LYS+  74  11.57 +/- 3.87  12.711% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   26 - HG3   LYS+  74   9.52 +/- 1.84   3.588% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HG3   LYS+  74  14.66 +/- 1.86   0.499% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HG3   LYS+  74  18.86 +/- 4.02   0.854% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG3   LYS+  74  16.20 +/- 1.84   0.354% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.03 +/- 2.95   0.351% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  16.92 +/- 3.80   1.338% *  0.0215% (0.18   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 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.7:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  97.783% * 99.1206% (1.00  10.0 10.00   4.54 186.70) =  99.998%  kept
          HG13  ILE   19 - HG3   LYS+  74  10.06 +/- 2.23   0.735% *  0.0915% (0.92   1.0  1.00   0.02   8.40) =   0.001%
          HG    LEU   71 - HG3   LYS+  74  13.71 +/- 1.64   0.251% *  0.0989% (1.00   1.0  1.00   0.02   0.13) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  23.55 +/- 3.31   0.052% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.83 +/- 2.02   0.250% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  15.99 +/- 2.74   0.230% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.08 +/- 2.42   0.203% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.10 +/- 2.07   0.074% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  13.99 +/- 2.93   0.369% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  22.19 +/- 2.03   0.053% *  0.0338% (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 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 = 186.7:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.93 +/- 0.08  83.775% * 99.2156% (1.00  10.0 10.00   4.97 186.70) =  99.987%  kept
          QD    LYS+  65 - HG3   LYS+  74   7.87 +/- 2.55   9.083% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   57 - HG3   LYS+  74  11.94 +/- 4.27   3.237% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG3   LYS+  74  19.92 +/- 2.70   0.331% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  74  19.06 +/- 3.88   1.221% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  14.04 +/- 1.99   0.973% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  14.10 +/- 1.85   0.929% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  74  22.10 +/- 4.32   0.283% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  24.77 +/- 3.25   0.168% *  0.0829% (0.84   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.7:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.82 +/- 0.46  87.958% * 99.7560% (1.00  10.0 10.00   4.00 186.70) =  99.993%  kept
          HB3   ASN   69 - HG3   LYS+  74  16.04 +/- 3.08   2.929% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QB    CYS   50 - HG3   LYS+  74  12.59 +/- 2.89   1.749% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG3   LYS+  74   8.90 +/- 1.35   5.233% *  0.0308% (0.31   1.0  1.00   0.02   1.24) =   0.002%
          HB3   ASP-  78 - HG3   LYS+  74  11.07 +/- 1.58   2.131% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 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 = 186.7:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.05 +/- 0.62  95.674% * 99.6012% (0.80 10.00   5.91 186.70) =  99.997%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.96 +/- 1.78   0.653% *  0.2184% (0.18 10.00   0.02   0.02) =   0.001%
          HA    THR   94 - HD2   LYS+  74  14.17 +/- 3.02   1.604% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  15.62 +/- 4.09   1.449% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  25.59 +/- 3.32   0.223% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.25 +/- 1.67   0.395% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.8, support = 6.3, residual support = 186.4:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.37 +/- 0.37  60.741% * 98.0482% (0.80  10.0 10.00   6.31 186.70) =  99.849%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   8.23 +/- 3.00  14.104% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.130%  kept
          HG    LEU  115 - HD2   LYS+  74  15.57 +/- 3.83   3.838% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   26 - HD2   LYS+  74   9.82 +/- 2.10   4.240% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.28 +/- 3.95   0.422% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU  115 - HD2   LYS+  74  16.10 +/- 4.09   6.568% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - QD    LYS+  38   7.62 +/- 1.70   3.352% *  0.0241% (0.20   1.0  1.00   0.02   0.76) =   0.001%
          HG    LEU   67 - HD2   LYS+  74  11.15 +/- 3.49   2.301% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.79 +/- 2.44   0.169% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  15.86 +/- 1.57   0.277% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HD2   LYS+  74  17.60 +/- 2.91   0.295% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.06 +/- 3.38   0.217% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.81 +/- 2.53   0.157% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.24 +/- 1.38   0.400% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.21 +/- 1.65   1.586% *  0.0047% (0.04   1.0  1.00   0.02   0.76) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.12 +/- 1.22   0.385% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  21.86 +/- 2.84   0.219% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  17.77 +/- 2.90   0.202% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.01 +/- 2.84   0.347% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.23 +/- 3.27   0.178% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.13 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.893, support = 5.54, residual support = 190.0:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.77 +/- 0.18  32.819% * 88.7810% (1.00  10.0 10.00   5.54 186.70) =  88.406%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.13  56.139% *  6.6410% (0.07  10.0 10.00   5.57 219.92) =  11.312%  kept
          QG2   THR   39 - QD    LYS+  38   6.28 +/- 0.88   3.886% *  2.1967% (0.13   1.0  1.00   3.72  23.80) =   0.259%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.61 +/- 5.25   2.044% *  0.1943% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  99 - HD2   LYS+  74  19.50 +/- 1.63   0.105% *  0.8858% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HD2   LYS+  74  10.23 +/- 2.80   1.035% *  0.0820% (0.92   1.0  1.00   0.02   8.40) =   0.003%
          HG    LEU   71 - HD2   LYS+  74  13.55 +/- 1.50   0.356% *  0.0886% (1.00   1.0  1.00   0.02   0.13) =   0.001%
        T HG3   LYS+ 111 - HD2   LYS+  74  22.64 +/- 3.85   0.093% *  0.3332% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+  74  14.22 +/- 3.27   0.577% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  21.83 +/- 1.77   0.074% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  19.51 +/- 2.27   0.112% *  0.1947% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  13.58 +/- 1.82   0.347% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.66 +/- 2.46   0.941% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  15.32 +/- 2.97   0.267% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  13.67 +/- 2.62   0.445% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.57 +/- 3.15   0.331% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.15 +/- 3.16   0.037% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.30 +/- 3.67   0.244% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.99 +/- 2.24   0.071% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.87 +/- 2.54   0.077% *  0.0087% (0.10   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.992, support = 4.97, residual support = 184.8:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.93 +/- 0.08  62.618% * 93.0968% (1.00  10.0 10.00   4.97 186.70) =  98.784%  kept
          HB    VAL   75 - HD2   LYS+  74   5.83 +/- 1.13  11.383% *  6.1901% (0.31   1.0  1.00   4.31  31.92) =   1.194%  kept
          QD1   LEU   67 - HD2   LYS+  74   8.32 +/- 2.63   8.527% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.012%
          QD2   LEU   71 - HD2   LYS+  74  10.71 +/- 1.34   1.660% *  0.0639% (0.69   1.0  1.00   0.02   0.13) =   0.002%
          QD2   LEU   40 - QD    LYS+  38   7.58 +/- 1.33   4.708% *  0.0183% (0.20   1.0  1.00   0.02   0.76) =   0.001%
          QD2   LEU   40 - HD2   LYS+  74  12.60 +/- 1.41   0.896% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HD2   LYS+  74  15.34 +/- 2.11   0.654% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.92 +/- 2.70   0.246% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - QD    LYS+  38   9.26 +/- 1.90   3.383% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  15.07 +/- 2.81   0.870% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  14.37 +/- 3.08   1.028% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    LYS+  38  12.53 +/- 2.65   1.437% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  13.14 +/- 2.63   0.840% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  13.08 +/- 2.74   1.008% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  17.27 +/- 2.48   0.409% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  18.16 +/- 2.06   0.334% *  0.0063% (0.07   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 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 = 186.7:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.26 +/- 0.08  92.128% * 99.4851% (1.00  10.0 10.00   4.97 186.70) =  99.997%  kept
          QB    CYS   50 - HD2   LYS+  74  12.46 +/- 3.14   0.779% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.48 +/- 0.78   1.913% *  0.0307% (0.31   1.0  1.00   0.02   1.24) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  10.66 +/- 1.96   1.268% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - QD    LYS+  38  17.96 +/- 1.81   0.216% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HD2   LYS+  74  15.71 +/- 2.70   0.593% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  12.31 +/- 3.07   2.027% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  24.14 +/- 4.24   0.264% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  13.24 +/- 2.02   0.749% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  26.82 +/- 2.12   0.063% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 186.7:
    *   T HA    LYS+  74 - QE    LYS+  74   3.27 +/- 0.45  95.089% * 99.8966% (0.80 10.00   4.93 186.70) =  99.997%  kept
          HA    THR   94 - QE    LYS+  74  12.73 +/- 2.75   2.656% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  13.95 +/- 3.68   2.255% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    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 = 0.8, support = 4.62, residual support = 186.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.19 +/- 0.71  46.495% * 99.4757% (0.80 10.00   4.62 186.70) =  99.935%  kept
          HG2   LYS+  65 - QE    LYS+  74   6.66 +/- 3.05  20.053% *  0.0557% (0.45  1.00   0.02   0.02) =   0.024%
          QG2   THR   26 - QE    LYS+  74   9.31 +/- 2.29  11.891% *  0.0654% (0.53  1.00   0.02   0.02) =   0.017%
          HG    LEU  115 - QE    LYS+  74  13.67 +/- 3.35   7.902% *  0.0853% (0.69  1.00   0.02   0.02) =   0.015%
          HB3   LEU  115 - QE    LYS+  74  14.19 +/- 3.43   6.260% *  0.0218% (0.18  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QE    LYS+  74   9.95 +/- 2.93   4.231% *  0.0310% (0.25  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - QE    LYS+  74  14.58 +/- 1.19   0.589% *  0.1114% (0.90  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QE    LYS+  74  15.63 +/- 2.42   0.719% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  16.34 +/- 3.52   0.964% *  0.0466% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  13.11 +/- 1.43   0.895% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.27 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.7:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.59 +/- 0.57  88.974% * 99.1206% (1.00  10.0 10.00   4.54 186.70) =  99.991%  kept
          HG13  ILE   19 - QE    LYS+  74   9.78 +/- 2.55   3.920% *  0.0915% (0.92   1.0  1.00   0.02   8.40) =   0.004%
        T HG3   LYS+ 111 - QE    LYS+  74  19.98 +/- 3.52   0.283% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+  74  12.46 +/- 1.43   1.048% *  0.0989% (1.00   1.0  1.00   0.02   0.13) =   0.001%
          QG2   THR   39 - QE    LYS+  74  12.52 +/- 1.43   1.232% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  12.86 +/- 2.79   1.219% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QE    LYS+  74  13.73 +/- 2.80   0.856% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QE    LYS+  74  11.80 +/- 2.66   1.859% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.76 +/- 1.58   0.342% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.04 +/- 1.32   0.267% *  0.0338% (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 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 4.0, residual support = 184.0:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.82 +/- 0.46  63.748% * 93.7805% (1.00  10.0 10.00   4.00 186.70) =  98.287%  kept
          HB    VAL   75 - QE    LYS+  74   5.42 +/- 1.26  17.702% *  5.8042% (0.31   1.0  1.00   4.01  31.92) =   1.689%  kept
          QD1   LEU   67 - QE    LYS+  74   7.35 +/- 2.42  12.359% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.018%
          QD2   LEU   71 - QE    LYS+  74   9.85 +/- 1.13   2.072% *  0.0644% (0.69   1.0  1.00   0.02   0.13) =   0.002%
          QD2   LEU   40 - QE    LYS+  74  11.57 +/- 1.07   1.119% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    LYS+  74  13.95 +/- 1.61   0.647% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QE    LYS+  74  12.62 +/- 2.69   1.607% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QE    LYS+  74  13.79 +/- 2.23   0.745% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.7:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.26 +/- 0.08  76.570% * 99.2156% (1.00  10.0 10.00   4.97 186.70) =  99.981%  kept
          QD    LYS+  65 - QE    LYS+  74   6.52 +/- 2.90  18.983% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.014%
          QB    ALA   57 - QE    LYS+  74  10.18 +/- 3.47   1.953% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QE    LYS+  74  17.96 +/- 1.81   0.180% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QE    LYS+  74  13.10 +/- 2.60   0.899% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  12.41 +/- 2.18   0.612% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  16.50 +/- 3.28   0.458% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  19.21 +/- 3.65   0.212% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  21.09 +/- 3.44   0.133% *  0.0829% (0.84   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 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 = 0.995, support = 3.44, residual support = 82.7:
    * O T HB    VAL   75 - HA    VAL   75   2.82 +/- 0.26  80.915% * 93.6652% (1.00  10.0 10.00   3.44  83.12) =  99.211%  kept
          HG3   LYS+  74 - HA    VAL   75   6.00 +/- 0.68  10.271% *  5.7925% (0.31   1.0  1.00   4.01  31.92) =   0.779%  kept
        T QD1   ILE  119 - HA    VAL   75  12.90 +/- 2.33   1.105% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          QD1   LEU   67 - HA    VAL   75   9.12 +/- 1.30   3.652% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HA    VAL   75  12.98 +/- 1.97   2.212% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    VAL   75  11.72 +/- 1.47   1.303% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL   75  16.41 +/- 2.07   0.542% *  0.0164% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T QG1   VAL   75 - HA    VAL   75   2.71 +/- 0.15  92.008% * 99.9055% (1.00  10.0 10.00   4.00  83.12) =  99.992%  kept
          QD1   LEU  115 - HA    VAL   75  11.62 +/- 2.88   7.992% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.008%
    Distance limit 3.25 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 = 83.1:
    * O T QG2   VAL   75 - HA    VAL   75   2.34 +/- 0.42  94.524% * 99.9036% (1.00  10.0 10.00   4.00  83.12) =  99.994%  kept
          QG2   VAL   42 - HA    VAL   75   8.98 +/- 1.46   5.476% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.1:
    * O T HA    VAL   75 - HB    VAL   75   2.82 +/- 0.26  83.058% * 99.7003% (1.00  10.0 10.00   3.44  83.12) =  99.993%  kept
          HA    ALA   61 - HB    VAL   75   8.04 +/- 2.57  14.569% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE  119 - HB    VAL   75  14.00 +/- 2.06   0.826% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    VAL   75  14.06 +/- 2.82   1.034% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.24 +/- 1.79   0.513% *  0.0135% (0.14   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 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 = 83.1:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  97.590% * 99.9055% (1.00  10.0 10.00   3.44  83.12) =  99.998%  kept
          QD1   LEU  115 - HB    VAL   75  10.04 +/- 2.26   2.410% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.03 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 = 83.1:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  96.080% * 99.0442% (1.00  10.0 10.00   3.31  83.12) =  99.961%  kept
        T QG2   VAL   42 - HB    VAL   75   7.48 +/- 1.39   3.920% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.039%
    Distance limit 3.00 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 = 0.999, support = 4.0, residual support = 83.1:
    * O T HA    VAL   75 - QG1   VAL   75   2.71 +/- 0.15  76.290% * 99.6578% (1.00  10.0 10.00   4.00  83.12) =  99.939%  kept
        T HA    ALA   61 - QG1   VAL   75   7.85 +/- 2.64  20.247% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.059%
          HD3   PRO   58 - QG1   VAL   75  11.89 +/- 2.98   1.640% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - QG1   VAL   75  12.30 +/- 1.77   0.916% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.59 +/- 1.29   0.906% *  0.0135% (0.14   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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 83.0:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  89.605% * 94.0104% (1.00  10.0 10.00   3.44  83.12) =  99.779%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.74 +/- 0.70   3.171% *  5.7932% (0.31   1.0  1.00   3.99  31.92) =   0.218%  kept
          QD1   LEU   67 - QG1   VAL   75   7.68 +/- 1.09   2.725% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG1   VAL   75   9.77 +/- 1.37   1.207% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75   9.70 +/- 1.74   1.376% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75   9.95 +/- 1.60   1.370% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL   75  12.94 +/- 1.47   0.546% *  0.0165% (0.18   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 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 = 83.1:
    * O T QG2   VAL   75 - QG1   VAL   75   2.04 +/- 0.06  97.234% * 99.9036% (1.00  10.0 10.00   4.00  83.12) =  99.997%  kept
          QG2   VAL   42 - QG1   VAL   75   7.19 +/- 1.06   2.766% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.44 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 = 83.1:
    * O T HA    VAL   75 - QG2   VAL   75   2.34 +/- 0.42  78.871% * 99.8572% (1.00  10.0 10.00   4.00  83.12) =  99.993%  kept
          HA    ALA   61 - QG2   VAL   75   7.77 +/- 2.36  18.183% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HD3   PRO   58 - QG2   VAL   75  12.79 +/- 2.73   1.547% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - QG2   VAL   75  12.45 +/- 1.35   0.799% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.44 +/- 1.44   0.600% *  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 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 83.0:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  86.929% * 93.9941% (1.00  10.0 10.00   3.31  83.12) =  99.723%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.30 +/- 0.61   3.844% *  5.8095% (0.31   1.0  1.00   4.01  31.92) =   0.273%  kept
          QD1   LEU   67 - QG2   VAL   75   7.18 +/- 0.87   2.653% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QG2   VAL   75   9.68 +/- 1.80   3.360% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG2   VAL   75   8.66 +/- 1.18   1.610% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  10.09 +/- 1.55   1.037% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.33 +/- 1.68   0.567% *  0.0165% (0.18   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 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T QG1   VAL   75 - QG2   VAL   75   2.04 +/- 0.06  95.625% * 99.9055% (1.00  10.0 10.00   4.00  83.12) =  99.996%  kept
          QD1   LEU  115 - QG2   VAL   75   9.14 +/- 2.09   4.375% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.74 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 = 0.993, support = 2.86, residual support = 35.4:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.83 +/- 0.19  69.033% * 90.4968% (1.00  10.0 10.00   2.87  35.77) =  98.685%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.60 +/- 0.74  10.571% *  4.6066% (0.73   1.0  1.00   1.40   4.61) =   0.769%  kept
        T QE    LYS+  66 - HA    LEU   67   6.58 +/- 1.00   7.930% *  3.3055% (0.04   1.0 10.00   3.44  14.13) =   0.414%  kept
          HB2   ASN   69 - HA    LEU   67   6.26 +/- 0.95   8.949% *  0.8909% (0.16   1.0  1.00   1.22   2.95) =   0.126%  kept
        T QE    LYS+  66 - HA    ASP-  76  15.01 +/- 2.69   0.821% *  0.2015% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - HA    LEU   67  16.76 +/- 2.61   0.495% *  0.1485% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    ASP-  76  18.12 +/- 3.01   0.331% *  0.2015% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  14.58 +/- 3.07   0.790% *  0.0331% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  19.62 +/- 1.74   0.247% *  0.0887% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  17.89 +/- 2.16   0.322% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.83 +/- 3.00   0.269% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  20.77 +/- 2.12   0.242% *  0.0023% (0.03   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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 35.8:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.75 +/- 0.26  86.057% * 99.2676% (0.87  10.0 10.00   2.97  35.77) =  99.994%  kept
          HG3   MET   92 - HA    ASP-  76  13.76 +/- 3.88   1.273% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - HA    LEU   67  15.97 +/- 2.61   0.656% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  11.92 +/- 1.92   1.366% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  17.67 +/- 2.38   0.458% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP-  76  15.83 +/- 3.11   1.019% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ASP-  76  11.96 +/- 3.11   2.252% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  18.34 +/- 2.40   0.334% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  18.32 +/- 5.32   1.647% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.46 +/- 4.10   2.451% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  22.99 +/- 1.99   0.171% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  15.79 +/- 3.49   0.695% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.61 +/- 2.27   0.779% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  21.20 +/- 3.13   0.304% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.72 +/- 1.99   0.269% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  20.65 +/- 2.12   0.270% *  0.0025% (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 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 35.8:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.83 +/- 0.19  86.928% * 99.3094% (1.00  10.0 10.00   2.87  35.77) =  99.989%  kept
        T HA    LEU   67 - QE    LYS+  66   6.58 +/- 1.00   9.998% *  0.0515% (0.05   1.0 10.00   0.02  14.13) =   0.006%
        T HA    ASP-  76 - QE    LYS+  66  15.01 +/- 2.69   1.037% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   67 - HB2   ASP-  76  16.76 +/- 2.61   0.624% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  76 - QE    LYS+  33  18.12 +/- 3.01   0.417% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.58 +/- 3.07   0.995% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 2.84, residual support = 35.8:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  91.343% * 98.9845% (0.87  10.0 10.00   2.84  35.77) =  99.997%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.62 +/- 1.81   4.523% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  15.91 +/- 2.78   0.226% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   ASP-  76  15.03 +/- 3.99   0.272% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.78 +/- 3.26   0.107% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.21 +/- 2.15   0.275% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  19.34 +/- 2.74   0.092% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  18.05 +/- 3.38   0.110% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  17.84 +/- 3.68   0.201% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.46 +/- 3.16   0.544% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  13.53 +/- 4.81   0.434% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  11.95 +/- 3.27   0.579% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  17.35 +/- 3.82   0.197% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  21.53 +/- 4.56   0.208% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  23.78 +/- 2.56   0.042% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  19.94 +/- 3.65   0.125% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  21.48 +/- 3.51   0.118% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.36 +/- 2.89   0.083% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.94 +/- 2.21   0.122% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  16.43 +/- 3.29   0.149% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.57 +/- 2.97   0.034% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  20.79 +/- 2.94   0.073% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  19.96 +/- 3.17   0.091% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  22.48 +/- 2.99   0.052% *  0.0023% (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 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 35.8:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.75 +/- 0.26  99.243% * 99.7513% (0.87  10.0 10.00   2.97  35.77) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  15.97 +/- 2.61   0.757% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.39 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 = 2.84, residual support = 35.8:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  95.024% * 99.3726% (0.87  10.0 10.00   2.84  35.77) =  99.996%  kept
          HB2   ASP-  78 - HB3   ASP-  76   5.57 +/- 1.23   4.427% *  0.0722% (0.63   1.0  1.00   0.02   4.61) =   0.003%
        T QE    LYS+  66 - HB3   ASP-  76  15.91 +/- 2.78   0.235% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  17.78 +/- 3.26   0.112% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  20.45 +/- 2.15   0.071% *  0.0974% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  16.97 +/- 2.77   0.131% *  0.0153% (0.13   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 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 = 0.998, support = 2.99, residual support = 37.3:
    * O T HB    THR   77 - HA    THR   77   2.57 +/- 0.16  82.702% * 93.3755% (1.00  10.0 10.00   3.00  37.48) =  99.491%  kept
          HA    GLU-  79 - HA    THR   77   6.19 +/- 0.45   6.458% *  6.0304% (0.69   1.0  1.00   1.88   0.02) =   0.502%  kept
          HA    ASP-  44 - HA    THR   77   9.38 +/- 1.64   2.230% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77  10.17 +/- 1.59   1.642% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HA    THR   77  14.18 +/- 5.34   4.464% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HA    THR   77  17.49 +/- 3.30   0.553% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HA    THR   77  11.96 +/- 1.62   1.008% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  15.34 +/- 2.71   0.549% *  0.0455% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  22.20 +/- 1.37   0.133% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  29.25 +/- 4.97   0.077% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.30 +/- 3.08   0.108% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  27.82 +/- 3.86   0.076% *  0.0384% (0.41   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 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T QG2   THR   77 - HA    THR   77   2.49 +/- 0.33  96.211% * 99.7982% (1.00  10.0 10.00   3.00  37.48) =  99.998%  kept
          QB    ALA   88 - HA    THR   77  10.32 +/- 1.38   1.613% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    THR   77  13.19 +/- 3.05   1.021% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  18.94 +/- 3.22   0.769% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  22.04 +/- 2.67   0.234% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.50 +/- 2.27   0.151% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - HB    THR   77   2.57 +/- 0.16  97.317% * 99.9104% (1.00  10.0 10.00   3.00  37.48) =  99.999%  kept
          HD2   PRO   93 - HB    THR   77  10.40 +/- 2.80   2.175% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB    THR   77  15.76 +/- 2.85   0.508% *  0.0448% (0.45   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 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 = 2.72, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  97.926% * 99.5496% (1.00  10.0 10.00   2.72  37.48) =  99.998%  kept
        T QG2   THR   23 - HB    THR   77  14.40 +/- 2.85   0.468% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB    THR   77  10.44 +/- 1.93   1.196% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HB    THR   77  23.18 +/- 3.12   0.115% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.12 +/- 2.94   0.236% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  26.84 +/- 2.47   0.059% *  0.0446% (0.45   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 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - QG2   THR   77   2.49 +/- 0.33  94.098% * 99.9104% (1.00  10.0 10.00   3.00  37.48) =  99.997%  kept
          HD2   PRO   93 - QG2   THR   77   8.03 +/- 2.82   4.943% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - QG2   THR   77  12.68 +/- 2.51   0.958% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.72, residual support = 37.4:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  87.832% * 92.4987% (1.00  10.0 10.00   2.72  37.48) =  99.695%  kept
          HA    ASP-  44 - QG2   THR   77   6.96 +/- 2.07   3.514% *  6.9409% (0.99   1.0  1.00   1.51   0.02) =   0.299%  kept
          HA    GLU-  79 - QG2   THR   77   7.08 +/- 0.57   2.763% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77   9.27 +/- 1.52   1.464% *  0.0925% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - QG2   THR   77  14.43 +/- 2.33   0.489% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   THR   77  11.46 +/- 2.49   0.892% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.67 +/- 3.93   1.720% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  11.03 +/- 1.79   0.869% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  24.77 +/- 4.50   0.094% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  18.44 +/- 0.99   0.145% *  0.0561% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.39 +/- 2.93   0.126% *  0.0285% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  23.51 +/- 3.48   0.093% *  0.0380% (0.41   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 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 = 0.998, support = 3.3, residual support = 38.9:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.86 +/- 0.22  82.412% * 95.3520% (1.00  10.0 10.00   3.32  39.10) =  99.347%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.79 +/- 0.61  11.627% *  4.4236% (0.73   1.0  1.00   1.28   4.61) =   0.650%  kept
          QE    LYS+  65 - HA    ASP-  78  13.71 +/- 4.42   2.777% *  0.0358% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.02 +/- 1.88   2.564% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    ASP-  78  21.20 +/- 3.93   0.284% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.51 +/- 3.21   0.202% *  0.0617% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  25.09 +/- 1.89   0.135% *  0.0578% (0.61   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 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.1:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.71 +/- 0.22  90.737% * 99.8720% (1.00  10.0 10.00   2.31  39.10) =  99.996%  kept
          QB    CYS   50 - HA    ASP-  78  11.34 +/- 3.99   6.392% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASP-  78  10.41 +/- 1.72   2.263% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  23.70 +/- 4.14   0.402% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  21.97 +/- 2.50   0.205% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.31, residual support = 39.0:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.86 +/- 0.22  87.044% * 97.4227% (1.00  10.0 10.00   3.32  39.10) =  99.795%  kept
          HA    LEU   80 - HB2   ASP-  78   7.05 +/- 0.96   7.006% *  2.4445% (0.49   1.0  1.00   1.03   5.64) =   0.202%  kept
          HA    THR   23 - HB2   ASP-  78  14.01 +/- 4.71   2.749% *  0.0845% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   23 - HB2   ASP-  78  15.50 +/- 4.59   2.960% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - HB2   ASP-  78  23.17 +/- 2.86   0.241% *  0.0150% (0.15   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 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 = 2.74, residual support = 39.1:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  96.914% * 99.8720% (1.00  10.0 10.00   2.74  39.10) =  99.999%  kept
          QB    CYS   50 - HB2   ASP-  78  11.22 +/- 4.38   1.877% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HB2   ASP-  78   9.14 +/- 1.82   1.055% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  23.65 +/- 4.12   0.094% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  22.27 +/- 2.76   0.058% *  0.0154% (0.15   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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.1:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.71 +/- 0.22  91.282% * 99.8154% (1.00  10.0 10.00   2.31  39.10) =  99.995%  kept
          HA    LEU   80 - HB3   ASP-  78   7.37 +/- 1.10   5.515% *  0.0486% (0.49   1.0  1.00   0.02   5.64) =   0.003%
          HA    THR   23 - HB3   ASP-  78  14.46 +/- 4.52   1.525% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB3   ASP-  78  15.91 +/- 4.47   1.497% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - HB3   ASP-  78  23.06 +/- 2.96   0.182% *  0.0154% (0.15   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 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 2.74, residual support = 39.0:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  93.014% * 96.0122% (1.00  10.0 10.00   2.74  39.10) =  99.773%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.09 +/- 0.89   5.394% *  3.7619% (0.73   1.0  1.00   1.08   4.61) =   0.227%  kept
          QE    LYS+  65 - HB3   ASP-  78  12.91 +/- 4.18   1.091% *  0.0360% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  13.62 +/- 2.09   0.339% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  21.08 +/- 3.51   0.070% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.02 +/- 3.02   0.055% *  0.0621% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  24.75 +/- 2.15   0.036% *  0.0582% (0.61   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 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 = 4.37, residual support = 56.0:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.92 +/- 0.18  95.090% * 98.4729% (1.00  10.0 10.00   4.37  56.01) =  99.994%  kept
          HG2   PRO   52 - HA    GLU-  79  17.03 +/- 4.74   2.116% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HA    GLU-  79  27.67 +/- 3.66   0.136% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU-  79  16.01 +/- 3.76   1.171% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  25.53 +/- 5.03   0.261% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.35 +/- 3.52   0.482% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  18.07 +/- 5.14   0.744% *  0.0597% (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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.0:
    * O T QG    GLU-  79 - HA    GLU-  79   2.46 +/- 0.29  98.440% * 99.7507% (1.00  10.0 10.00   3.52  56.01) =  99.999%  kept
          HB2   GLN  116 - HA    GLU-  79  22.62 +/- 5.28   0.525% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU-  79  21.95 +/- 3.94   0.184% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  18.77 +/- 2.70   0.419% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  25.60 +/- 4.21   0.160% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  20.33 +/- 3.04   0.271% *  0.0308% (0.31   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 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.36, residual support = 55.9:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.92 +/- 0.18  85.620% * 97.2577% (1.00  10.0 10.00   4.37  56.01) =  99.804%  kept
          HB    THR   77 - HB2   GLU-  79   7.18 +/- 0.90   7.125% *  2.2284% (0.69   1.0  1.00   0.67   0.02) =   0.190%  kept
          HA    ALA   57 - HB2   GLU-  79  16.53 +/- 5.76   2.623% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB2   GLU-  79  11.80 +/- 1.68   1.632% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  11.98 +/- 1.26   1.438% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  17.77 +/- 3.95   0.703% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  79  19.20 +/- 3.52   0.449% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  22.69 +/- 2.23   0.205% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  27.48 +/- 5.71   0.204% *  0.0551% (0.57   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 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 = 3.49, residual support = 56.0:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.28 +/- 0.13  98.753% * 99.7507% (1.00  10.0 10.00   3.49  56.01) =  99.999%  kept
          QG    GLN   32 - HB2   GLU-  79  21.01 +/- 4.27   0.184% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  21.30 +/- 5.00   0.320% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  17.11 +/- 2.62   0.343% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  23.98 +/- 3.78   0.150% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  18.60 +/- 2.73   0.249% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.0:
    * O T HA    GLU-  79 - QG    GLU-  79   2.46 +/- 0.29  88.686% * 99.4064% (1.00  10.0 10.00   3.52  56.01) =  99.991%  kept
          HA    ALA   57 - QG    GLU-  79  15.63 +/- 5.75   3.997% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - QG    GLU-  79   7.92 +/- 0.81   3.407% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA1   GLY   51 - QG    GLU-  79  16.74 +/- 4.25   0.920% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  11.66 +/- 1.22   1.167% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  11.68 +/- 1.83   1.122% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG    GLU-  79  17.96 +/- 3.35   0.363% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  20.66 +/- 2.16   0.178% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  23.99 +/- 5.07   0.160% *  0.0563% (0.57   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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 56.0:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.28 +/- 0.13  93.917% * 99.5443% (1.00  10.0 10.00   3.49  56.01) =  99.995%  kept
          HG2   PRO   52 - QG    GLU-  79  15.50 +/- 5.02   3.260% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG2   MET   92 - QG    GLU-  79  14.75 +/- 3.19   0.935% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - QG    GLU-  79  14.98 +/- 5.14   1.149% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - QG    GLU-  79  18.19 +/- 3.14   0.384% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  23.34 +/- 3.94   0.114% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  21.56 +/- 4.86   0.241% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.02 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 = 5.79, residual support = 86.7:
    *   T QD1   LEU   80 - HA    LEU   80   2.50 +/- 0.60  91.693% * 98.6414% (0.65 10.00   5.79  86.69) =  99.971%  kept
        T QD2   LEU   98 - HA    LEU   80  14.57 +/- 4.04   2.201% *  0.9864% (0.65 10.00   0.02   0.02) =   0.024%
          QD1   LEU   73 - HA    LEU   80  11.80 +/- 4.15   3.705% *  0.0520% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HA    LEU   80  15.66 +/- 3.89   1.363% *  0.1274% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU   80  16.49 +/- 1.95   0.515% *  0.1408% (0.92  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    LEU   80  16.23 +/- 2.61   0.522% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.999, support = 5.42, residual support = 86.5:
    * O   HA    LEU   80 - HB2   LEU   80   2.74 +/- 0.18  89.026% * 97.4132% (1.00  10.0   5.43  86.69) =  99.826%  kept
          HA    ASP-  78 - HB2   LEU   80   7.16 +/- 0.89   6.295% *  2.3404% (0.49   1.0   0.99   5.64) =   0.170%  kept
          HA    THR   23 - HB2   LEU   80  13.46 +/- 6.46   2.941% *  0.0780% (0.80   1.0   0.02   0.39) =   0.003%
          HB    THR   23 - HB2   LEU   80  14.85 +/- 6.35   1.483% *  0.0940% (0.97   1.0   0.02   0.39) =   0.002%
          HA    ASP- 105 - HB2   LEU   80  21.09 +/- 3.46   0.255% *  0.0744% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.99, residual support = 86.6:
    * O T QD1   LEU   80 - HB2   LEU   80   2.87 +/- 0.42  87.246% * 97.5236% (0.65  10.0 10.00   4.99  86.69) =  99.939%  kept
        T QG2   VAL   41 - HB2   LEU   80  14.35 +/- 4.11   1.905% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.028%
        T QD2   LEU   98 - HB2   LEU   80  13.23 +/- 4.12   2.292% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.026%
          QD1   LEU   73 - HB2   LEU   80  10.83 +/- 4.16   6.664% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU   80  15.52 +/- 2.57   0.945% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   LEU   80  15.28 +/- 3.03   0.949% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.646, support = 5.76, residual support = 86.2:
    *   T HA    LEU   80 - QD1   LEU   80   2.50 +/- 0.60  67.809% * 94.7276% (0.65 10.00   5.79  86.69) =  99.444%  kept
          HA    THR   23 - QD1   LEU   80  11.55 +/- 6.86  15.222% *  1.3495% (0.52  1.00   0.36   0.39) =   0.318%  kept
          HB    THR   23 - QD1   LEU   80  12.73 +/- 6.71   4.531% *  1.6265% (0.62  1.00   0.36   0.39) =   0.114%  kept
          HA    ASP-  78 - QD1   LEU   80   6.68 +/- 0.83   4.643% *  1.5172% (0.31  1.00   0.66   5.64) =   0.109%  kept
        T HA    LEU   80 - QD2   LEU   98  14.57 +/- 4.04   1.264% *  0.5430% (0.37 10.00   0.02   0.02) =   0.011%
          HA    ASP- 105 - QD2   LEU   98   8.72 +/- 0.82   2.544% *  0.0415% (0.28  1.00   0.02   6.10) =   0.002%
          HA    THR   23 - QD2   LEU   98  13.96 +/- 3.91   1.398% *  0.0435% (0.30  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  14.70 +/- 3.70   0.898% *  0.0524% (0.36  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  15.50 +/- 3.23   1.292% *  0.0264% (0.18  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD1   LEU   80  19.07 +/- 3.38   0.399% *  0.0724% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 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 = 5.16, residual support = 105.8:
    * O T QB    LYS+  81 - HA    LYS+  81   2.41 +/- 0.16  88.279% * 97.5498% (1.00  10.0 10.00   5.16 105.78) =  99.989%  kept
          HB3   GLN   90 - HA    LYS+  81   9.16 +/- 2.92   4.448% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HA    LYS+  81  20.36 +/- 2.80   0.177% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  81  25.59 +/- 3.55   0.105% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  17.75 +/- 3.80   0.394% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  15.61 +/- 2.92   0.430% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.83 +/- 3.25   1.695% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  22.15 +/- 5.21   2.877% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  21.10 +/- 4.03   0.300% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.68 +/- 3.71   0.351% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  20.12 +/- 4.53   0.299% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  22.88 +/- 4.23   0.139% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  19.90 +/- 5.16   0.269% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  29.06 +/- 3.38   0.057% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  26.84 +/- 5.14   0.179% *  0.0151% (0.15   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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 105.8:
    * O T QG    LYS+  81 - HA    LYS+  81   2.47 +/- 0.57  96.864% * 98.1658% (1.00  10.0 10.00   4.30 105.78) =  99.990%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  18.21 +/- 3.92   0.757% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  33 - HA    LYS+  81  24.48 +/- 4.91   0.214% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    LYS+  81  20.08 +/- 4.87   1.471% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.76 +/- 1.90   0.693% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.08 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.8:
    *   T QD    LYS+  81 - HA    LYS+  81   3.85 +/- 0.53  92.887% * 99.7569% (1.00 10.00   3.44 105.78) =  99.993%  kept
          HB    VAL   43 - HA    LYS+  81  13.49 +/- 3.00   3.670% *  0.0989% (0.99  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HA    LYS+  81  23.45 +/- 4.38   3.011% *  0.0995% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HA    LYS+  81  24.43 +/- 3.38   0.433% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.8:
    *   T QE    LYS+  81 - HA    LYS+  81   3.94 +/- 0.50  95.402% * 99.9825% (1.00 10.00   3.44 105.78) =  99.999%  kept
          HB3   TRP   49 - HA    LYS+  81  14.95 +/- 3.41   4.598% *  0.0175% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 5.13 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 = 5.16, residual support = 105.8:
    * O T HA    LYS+  81 - QB    LYS+  81   2.41 +/- 0.16  91.502% * 98.7606% (1.00  10.0 10.00   5.16 105.78) =  99.993%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.71 +/- 0.33   2.919% *  0.0733% (0.07   1.0 10.00   0.02   1.92) =   0.002%
        T HA    LEU  115 - QB    LYS+  81  19.00 +/- 3.93   1.183% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ARG+  54 - QB    LYS+  81  18.52 +/- 2.85   0.255% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  17.75 +/- 3.80   0.408% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HB3   PRO   52  12.46 +/- 3.60   1.981% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  28.93 +/- 4.66   0.106% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  19.08 +/- 6.39   0.426% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  28.71 +/- 4.22   0.067% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.51 +/- 3.67   0.298% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  24.47 +/- 5.30   0.515% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.42 +/- 3.50   0.190% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.27 +/- 3.59   0.038% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  27.10 +/- 3.89   0.113% *  0.0020% (0.02   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 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 = 4.81, residual support = 105.8:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.02  95.776% * 97.8497% (1.00  10.0 10.00   4.81 105.78) =  99.995%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  18.13 +/- 3.75   0.268% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QB    LYS+  81  23.32 +/- 4.89   0.101% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  16.31 +/- 4.01   0.647% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 106 - HB3   PRO   52  19.67 +/- 3.33   0.167% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  19.44 +/- 4.82   0.539% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.60 +/- 1.86   0.334% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.52 +/- 4.81   1.947% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.37 +/- 3.33   0.043% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  18.30 +/- 2.61   0.177% *  0.0025% (0.03   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 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 105.8:
    * O T QD    LYS+  81 - QB    LYS+  81   2.12 +/- 0.12  97.743% * 99.6151% (1.00  10.0 10.00   3.93 105.78) =  99.998%  kept
          HB2   LYS+  99 - QB    LYS+  81  22.75 +/- 4.48   0.852% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HB3   PRO   52  17.17 +/- 3.87   0.534% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QB    LYS+  81  14.09 +/- 2.65   0.464% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.26 +/- 3.20   0.086% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  18.15 +/- 2.49   0.191% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.84 +/- 3.27   0.068% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  26.12 +/- 2.86   0.062% *  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 = 3.93, residual support = 105.8:
    *     QE    LYS+  81 - QB    LYS+  81   2.98 +/- 0.58  93.336% * 99.8426% (1.00   3.93 105.78) =  99.997%  kept
          HB3   TRP   49 - QB    LYS+  81  13.99 +/- 3.58   2.083% *  0.0889% (0.18   0.02   0.02) =   0.002%
          QE    LYS+  81 - HB3   PRO   52  16.40 +/- 3.60   0.942% *  0.0582% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52   9.76 +/- 0.76   3.639% *  0.0102% (0.02   0.02   3.11) =   0.000%
    Distance limit 4.95 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 = 4.3, residual support = 105.8:
    * O T HA    LYS+  81 - QG    LYS+  81   2.47 +/- 0.57  85.367% * 98.8267% (1.00  10.0 10.00   4.30 105.78) =  99.994%  kept
        T HA    LYS+  81 - HG2   LYS+ 106  18.21 +/- 3.92   0.666% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - HG2   LYS+  33   8.45 +/- 0.81   3.054% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+  33  24.48 +/- 4.91   0.188% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  115 - QG    LYS+  81  18.49 +/- 3.26   1.780% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.71 +/- 3.11   0.401% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.74 +/- 0.71   2.936% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  28.41 +/- 4.52   0.230% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  18.96 +/- 6.10   0.990% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  28.57 +/- 4.08   0.111% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  24.86 +/- 5.20   0.150% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.79 +/- 3.02   0.380% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.18 +/- 2.01   1.513% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  17.06 +/- 3.78   0.661% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.75 +/- 3.63   0.138% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  21.48 +/- 4.48   0.236% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  20.91 +/- 3.74   0.220% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.52 +/- 3.14   0.134% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  18.38 +/- 4.01   0.325% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.78 +/- 2.92   0.366% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.71 +/- 2.85   0.156% *  0.0073% (0.07   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.783, support = 5.07, residual support = 120.7:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  34.474% * 56.3219% (1.00  10.0 10.00   4.81 105.78) =  64.614%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.09  28.053% * 26.0239% (0.46  10.0 10.00   5.63 154.54) =  24.295%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.13  26.580% * 12.3649% (0.22  10.0 10.00   5.39 134.86) =  10.937%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.30 +/- 0.89   1.642% *  2.6338% (0.20   1.0  1.00   4.74  23.52) =   0.144%  kept
        T QB    LYS+ 106 - QG    LYS+  81  15.53 +/- 2.35   0.106% *  0.5620% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - QG    LYS+  81   9.36 +/- 2.88   0.991% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - HG2   LYS+ 106   5.57 +/- 1.14   2.780% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  21.52 +/- 4.13   0.045% *  0.5435% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.55 +/- 0.66   2.194% *  0.0101% (0.18   1.0  1.00   0.02   0.28) =   0.001%
        T HB3   PRO   52 - QG    LYS+  81  16.31 +/- 4.01   0.221% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.07 +/- 2.73   0.055% *  0.2691% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.13 +/- 3.75   0.095% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.32 +/- 4.89   0.036% *  0.2697% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.33 +/- 3.54   0.519% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.32 +/- 2.80   0.053% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.58 +/- 3.27   0.076% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.37 +/- 1.20   0.246% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.82 +/- 3.80   0.078% *  0.0470% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.54 +/- 3.31   0.085% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.62 +/- 3.01   0.062% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.95 +/- 3.71   0.135% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.35 +/- 3.36   0.169% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  20.71 +/- 4.28   0.232% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.02 +/- 4.87   0.082% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.88 +/- 3.85   0.068% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.32 +/- 3.21   0.062% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.17 +/- 3.57   0.033% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  19.67 +/- 3.33   0.059% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.26 +/- 3.34   0.086% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.37 +/- 3.33   0.016% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  25.05 +/- 5.02   0.065% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.49 +/- 3.04   0.017% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.52 +/- 3.48   0.028% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.49 +/- 3.01   0.019% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.27 +/- 3.38   0.042% *  0.0107% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.67 +/- 3.32   0.046% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.47 +/- 4.07   0.019% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.20 +/- 3.13   0.074% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.88 +/- 3.23   0.047% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.70 +/- 1.80   0.095% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.17 +/- 3.57   0.041% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  24.54 +/- 4.26   0.031% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.51 +/- 2.53   0.019% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  18.92 +/- 3.57   0.065% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.63 +/- 3.35   0.058% *  0.0017% (0.03   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 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 = 3.82, residual support = 105.8:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  94.455% * 98.8994% (1.00  10.0 10.00   3.82 105.78) =  99.997%  kept
          HB    VAL   43 - QG    LYS+  81  13.81 +/- 2.78   0.451% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.27 +/- 3.66   0.174% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  24.51 +/- 4.77   0.079% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  22.64 +/- 3.96   0.347% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+ 106   9.66 +/- 2.09   1.377% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  11.79 +/- 3.00   1.311% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.89 +/- 3.90   0.540% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.86 +/- 1.22   0.771% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.13 +/- 2.84   0.319% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.87 +/- 3.13   0.081% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.07 +/- 3.17   0.094% *  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 = 3.82, residual support = 105.8:
    * O   QE    LYS+  81 - QG    LYS+  81   2.14 +/- 0.13  98.087% * 99.9005% (1.00  10.0   3.82 105.78) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  13.21 +/- 4.05   1.154% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.82 +/- 3.87   0.289% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  24.39 +/- 4.63   0.099% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.70 +/- 3.69   0.330% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.56 +/- 2.85   0.040% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 105.8:
    *   T HA    LYS+  81 - QD    LYS+  81   3.85 +/- 0.53  92.430% * 99.7133% (1.00 10.00   3.44 105.78) =  99.997%  kept
          HA    ARG+  54 - QD    LYS+  81  18.70 +/- 3.03   1.108% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD    LYS+  81  29.52 +/- 5.40   0.699% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - QD    LYS+  81  19.67 +/- 3.70   3.079% *  0.0154% (0.15  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD    LYS+  81  20.31 +/- 6.23   1.764% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  29.98 +/- 4.15   0.269% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.28 +/- 4.10   0.650% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 105.8:
    * O T QB    LYS+  81 - QD    LYS+  81   2.12 +/- 0.12  94.149% * 98.9997% (1.00  10.0 10.00   3.93 105.78) =  99.995%  kept
          HB3   GLN   90 - QD    LYS+  81  10.14 +/- 2.98   1.807% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - QD    LYS+  81  17.17 +/- 3.87   0.514% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD    LYS+  81  13.27 +/- 3.93   1.369% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.62 +/- 2.80   0.271% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  21.01 +/- 4.18   0.287% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  21.89 +/- 3.80   0.217% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  19.51 +/- 2.97   0.165% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.71 +/- 3.39   0.178% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  22.78 +/- 4.17   0.108% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.47 +/- 4.96   0.178% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  25.58 +/- 3.82   0.073% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  21.91 +/- 4.30   0.400% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  26.12 +/- 5.82   0.243% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.95 +/- 3.21   0.042% *  0.0560% (0.57   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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 105.8:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.03  99.125% * 98.1658% (1.00  10.0 10.00   3.82 105.78) =  99.997%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.27 +/- 3.66   0.182% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+  81  24.51 +/- 4.77   0.083% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  15.42 +/- 1.99   0.287% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  19.85 +/- 4.76   0.322% *  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 = 105.8:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  98.592% * 99.9825% (1.00  10.0   3.00 105.78) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  13.65 +/- 4.52   1.408% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 105.8:
    *   T HA    LYS+  81 - QE    LYS+  81   3.94 +/- 0.50  93.156% * 99.7133% (1.00 10.00   3.44 105.78) =  99.997%  kept
          HA    ARG+  54 - QE    LYS+  81  17.95 +/- 3.14   1.281% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QE    LYS+  81  29.15 +/- 5.30   0.638% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - QE    LYS+  81  19.05 +/- 3.24   2.150% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  20.33 +/- 5.85   1.703% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  29.88 +/- 4.03   0.277% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  21.85 +/- 4.44   0.796% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.18 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 = 33.2:
    * O T HB2   SER   82 - HA    SER   82   2.77 +/- 0.26  83.205% * 97.1708% (0.95  10.0 10.00   2.96  33.24) =  99.975%  kept
        T HA    SER   48 - HA    SER   82  16.23 +/- 3.59   0.735% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   SER   82 - HA    GLU-  25  18.78 +/- 9.54   1.714% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   88 - HA    SER   82   8.95 +/- 1.06   2.898% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   7.11 +/- 0.41   5.404% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  23.20 +/- 2.97   0.186% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    SER   82  25.10 +/- 2.33   0.130% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    SER   82  24.00 +/- 4.67   0.969% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  19.64 +/- 2.02   0.268% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.60 +/- 0.64   1.228% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  23.90 +/- 7.64   0.312% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.61 +/- 1.01   0.813% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.65 +/- 3.52   0.359% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  25.66 +/- 7.72   0.241% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  23.10 +/- 4.01   0.179% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  15.55 +/- 1.56   0.551% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  27.59 +/- 6.41   0.147% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  21.71 +/- 5.73   0.395% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  26.93 +/- 3.38   0.122% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  27.24 +/- 4.21   0.146% *  0.0137% (0.13   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 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.2:
    * O T HB3   SER   82 - HA    SER   82   2.81 +/- 0.22  89.331% * 98.8194% (1.00  10.0 10.00   2.00  33.24) =  99.989%  kept
        T HB3   SER   82 - HA    GLU-  25  18.43 +/- 9.35   1.751% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   89 - HA    SER   82  10.65 +/- 0.86   1.739% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  19.93 +/- 2.87   0.349% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.61 +/- 0.36   2.347% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  18.04 +/- 4.70   1.186% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.39 +/- 3.89   0.371% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  22.78 +/- 3.57   0.538% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  23.52 +/- 6.26   0.263% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  26.95 +/- 3.81   0.124% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.08 +/- 1.99   0.360% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  25.23 +/- 2.56   0.149% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  29.16 +/- 3.53   0.090% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  18.27 +/- 1.57   0.343% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  29.20 +/- 4.56   0.101% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  21.86 +/- 4.33   0.291% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  25.18 +/- 4.55   0.486% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  28.07 +/- 3.93   0.181% *  0.0207% (0.21   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 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.2:
    * O T HA    SER   82 - HB2   SER   82   2.77 +/- 0.26  85.786% * 97.8439% (0.95  10.0 10.00   2.96  33.24) =  99.979%  kept
        T HA    GLU-  25 - HB2   SER   82  18.78 +/- 9.54   1.764% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.012%
        T HA    SER   82 - HA    SER   48  16.23 +/- 3.59   0.759% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU-  25 - HA    SER   48  23.20 +/- 2.97   0.192% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  25 - HA    VAL   70  19.64 +/- 2.02   0.277% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HA    SER   48  10.13 +/- 2.00   5.236% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  25.10 +/- 2.33   0.133% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HA    VAL   70  11.02 +/- 1.17   1.556% *  0.0128% (0.12   1.0  1.00   0.02   0.14) =   0.000%
          HA    ASP-  62 - HA    SER   48  16.19 +/- 4.01   1.064% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.66 +/- 1.39   1.535% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  19.37 +/- 4.37   0.593% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  21.84 +/- 4.32   0.264% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.43 +/- 3.75   0.301% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  23.35 +/- 3.15   0.176% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  19.05 +/- 2.70   0.362% *  0.0059% (0.06   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 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 = 33.2:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  82.631% * 96.7159% (0.95  10.0 10.00   2.33  33.24) =  99.970%  kept
        T HB3   SER   37 - HA    VAL   70   9.91 +/- 2.97   7.376% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.021%
        T HD3   PRO   52 - HA    SER   48   9.37 +/- 0.91   0.584% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   39 - HA    VAL   70   7.53 +/- 2.71   4.562% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER   13 - HA    VAL   70  13.82 +/- 2.90   0.412% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   SER   82 - HA    SER   48  16.78 +/- 3.75   0.174% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  21.41 +/- 4.48   0.105% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HA    SER   48   8.09 +/- 1.81   2.158% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.45 +/- 0.67   0.236% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  24.81 +/- 2.99   0.034% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  23.43 +/- 3.23   0.045% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.99 +/- 2.54   0.237% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.36 +/- 2.44   0.407% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  22.74 +/- 7.38   0.090% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.00 +/- 3.74   0.375% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  26.66 +/- 4.80   0.033% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  28.28 +/- 4.39   0.026% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  23.86 +/- 3.51   0.067% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  28.71 +/- 5.58   0.027% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.74 +/- 3.97   0.036% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  19.36 +/- 2.53   0.085% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  19.94 +/- 1.51   0.060% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.76 +/- 3.40   0.071% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.98 +/- 2.70   0.029% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  23.88 +/- 2.97   0.038% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.23 +/- 2.29   0.021% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  19.13 +/- 2.73   0.082% *  0.0066% (0.07   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 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.2:
    * O T HA    SER   82 - HB3   SER   82   2.81 +/- 0.22  97.066% * 99.1601% (1.00  10.0 10.00   2.00  33.24) =  99.987%  kept
        T HA    GLU-  25 - HB3   SER   82  18.43 +/- 9.35   1.902% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.012%
        T HA    CYS   53 - HB3   SER   82  21.34 +/- 4.03   0.505% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  21.68 +/- 4.29   0.279% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  23.25 +/- 3.29   0.248% *  0.0276% (0.28   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 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.2:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.700% * 97.6038% (0.95  10.0 10.00   2.33  33.24) =  99.996%  kept
        T HA    SER   48 - HB3   SER   82  16.78 +/- 3.75   0.209% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HB3   SER   82  20.63 +/- 4.30   0.108% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   SER   82  10.69 +/- 0.86   0.459% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  24.81 +/- 2.99   0.041% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  22.59 +/- 8.52   0.132% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  24.60 +/- 8.51   0.092% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  24.91 +/- 4.47   0.148% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  22.46 +/- 4.56   0.058% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  26.51 +/- 7.30   0.053% *  0.0749% (0.73   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 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 = 85.6:
    * O T HB    VAL   83 - HA    VAL   83   2.77 +/- 0.16  94.245% * 96.5761% (0.90  10.0 10.00   3.97  85.64) =  99.976%  kept
        T QD    LYS+  65 - HA    VAL   83  18.34 +/- 4.10   0.918% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   LYS+  74 - HA    VAL   83  15.60 +/- 2.56   0.675% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.006%
        T QB    ALA   57 - HA    VAL   83  18.30 +/- 4.47   0.886% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HA    VAL   83  23.55 +/- 4.63   0.217% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  18.48 +/- 5.79   0.745% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.10 +/- 3.33   1.157% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  23.54 +/- 3.32   0.198% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.21 +/- 4.52   0.339% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  20.86 +/- 5.43   0.374% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  27.59 +/- 3.47   0.130% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  28.69 +/- 3.66   0.114% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 85.6:
    * O T QG1   VAL   83 - HA    VAL   83   2.20 +/- 0.23  86.338% * 99.0924% (0.87  10.0 10.00   4.17  85.64) =  99.941%  kept
          QD2   LEU   80 - HA    VAL   83   5.94 +/- 0.98   8.221% *  0.5876% (0.80   1.0  1.00   0.13   0.15) =   0.056%
          QG2   ILE   89 - HA    VAL   83   6.88 +/- 0.52   3.214% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    VAL   83  16.75 +/- 3.39   0.652% *  0.0873% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  12.20 +/- 3.59   1.095% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  17.41 +/- 2.59   0.210% *  0.1102% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.80 +/- 3.08   0.270% *  0.0470% (0.41   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 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 85.5:
    * O T QG2   VAL   83 - HA    VAL   83   2.91 +/- 0.32  86.826% * 98.4743% (1.00  10.0 10.00   4.37  85.64) =  99.833%  kept
          QD1   ILE   89 - HA    VAL   83   7.16 +/- 1.30   9.672% *  1.4541% (0.90   1.0  1.00   0.33   0.02) =   0.164%  kept
          QD2   LEU   31 - HA    VAL   83  13.88 +/- 6.10   3.502% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.6:
    * O T HA    VAL   83 - HB    VAL   83   2.77 +/- 0.16  97.729% * 97.8171% (0.90  10.0 10.00   3.97  85.64) =  99.987%  kept
        T HD2   PRO   58 - HB    VAL   83  21.53 +/- 5.01   0.947% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU- 100 - HB    VAL   83  21.71 +/- 4.73   0.281% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HB    VAL   83  23.89 +/- 5.30   0.230% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  17.70 +/- 3.75   0.813% *  0.0439% (0.40   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 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 = 0.778, support = 4.26, residual support = 85.5:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.02  70.974% * 99.0924% (0.78  10.0 10.00   4.26  85.64) =  99.792%  kept
          QD2   LEU   80 - HB    VAL   83   4.10 +/- 1.29  24.629% *  0.5876% (0.72   1.0  1.00   0.13   0.15) =   0.205%  kept
          QG2   ILE   89 - HB    VAL   83   6.95 +/- 0.69   2.188% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  10.99 +/- 3.85   1.294% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB    VAL   83  16.10 +/- 3.48   0.511% *  0.0873% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  17.19 +/- 2.49   0.158% *  0.1102% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.68 +/- 3.14   0.246% *  0.0470% (0.37   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 4.45, residual support = 85.6:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  94.046% * 98.4743% (0.90  10.0 10.00   4.45  85.64) =  99.934%  kept
          QD1   ILE   89 - HB    VAL   83   7.17 +/- 1.55   4.135% *  1.4541% (0.80   1.0  1.00   0.33   0.02) =   0.065%
          QD2   LEU   31 - HB    VAL   83  13.18 +/- 6.14   1.819% *  0.0715% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.11 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 = 4.17, residual support = 85.6:
    * O T HA    VAL   83 - QG1   VAL   83   2.20 +/- 0.23  98.112% * 99.7372% (0.87  10.0 10.00   4.17  85.64) =  99.999%  kept
          HD2   PRO   58 - QG1   VAL   83  18.42 +/- 4.16   0.701% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QG1   VAL   83  17.45 +/- 4.01   0.297% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  15.31 +/- 3.48   0.650% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  19.19 +/- 4.73   0.240% *  0.0197% (0.17   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 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.26, residual support = 85.6:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.02  94.339% * 99.3915% (0.78  10.0 10.00   4.26  85.64) =  99.996%  kept
          QD    LYS+  65 - QG1   VAL   83  14.20 +/- 3.44   1.234% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QG1   VAL   83  11.58 +/- 2.34   0.772% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG1   VAL   83  14.71 +/- 3.90   0.768% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  15.27 +/- 4.91   0.744% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.66 +/- 2.92   0.940% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  19.24 +/- 3.22   0.176% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  18.73 +/- 4.05   0.205% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.88 +/- 3.56   0.214% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  15.97 +/- 4.83   0.412% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.50 +/- 3.02   0.102% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.38 +/- 3.16   0.091% *  0.0219% (0.17   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 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 = 0.866, support = 4.56, residual support = 83.9:
    * O T QG2   VAL   83 - QG1   VAL   83   2.05 +/- 0.05  83.872% * 87.0782% (0.87  10.0 10.00   4.65  85.64) =  97.940%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.28 +/- 1.42  11.923% * 12.8586% (0.78   1.0 10.00   0.33   0.02) =   2.056%  kept
          QD2   LEU   31 - QG1   VAL   83  10.36 +/- 5.28   4.205% *  0.0632% (0.63   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.64 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 = 4.37, residual support = 85.6:
    * O T HA    VAL   83 - QG2   VAL   83   2.91 +/- 0.32  91.718% * 99.7372% (1.00  10.0 10.00   4.37  85.64) =  99.992%  kept
          HD2   PRO   58 - QG2   VAL   83  16.70 +/- 4.08   5.568% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HB2   CYS   53 - QG2   VAL   83  13.60 +/- 3.07   1.631% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QG2   VAL   83  17.35 +/- 3.42   0.624% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG2   VAL   83  19.11 +/- 3.91   0.460% *  0.0197% (0.20   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 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 85.6:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  92.519% * 99.3915% (0.90  10.0 10.00   4.45  85.64) =  99.995%  kept
          QD    LYS+  65 - QG2   VAL   83  13.15 +/- 3.30   1.181% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QG2   VAL   83  10.47 +/- 2.19   1.120% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG2   VAL   83  13.26 +/- 3.83   1.616% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QG2   VAL   83  11.93 +/- 2.72   1.636% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  15.09 +/- 4.34   0.582% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  17.94 +/- 2.71   0.215% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.39 +/- 3.52   0.341% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  18.65 +/- 3.35   0.181% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  15.95 +/- 4.13   0.361% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.18 +/- 2.69   0.131% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.07 +/- 2.84   0.115% *  0.0219% (0.20   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 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 4.62, residual support = 85.1:
    * O T QG1   VAL   83 - QG2   VAL   83   2.05 +/- 0.05  69.881% * 93.9957% (0.87  10.0 10.00   4.65  85.64) =  99.324%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.73 +/- 0.63   6.512% *  5.1704% (0.25   1.0 10.00   0.38   0.02) =   0.509%  kept
          QD2   LEU   80 - QG2   VAL   83   4.02 +/- 1.10  19.373% *  0.5574% (0.80   1.0  1.00   0.13   0.15) =   0.163%  kept
          QD1   LEU   73 - QG2   VAL   83   8.48 +/- 2.82   2.261% *  0.0445% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - QG2   VAL   83  12.36 +/- 2.81   1.120% *  0.0828% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  13.46 +/- 1.96   0.302% *  0.1046% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.07 +/- 2.55   0.550% *  0.0445% (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 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 = 2.8, residual support = 17.8:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  89.121% * 99.1332% (0.93  10.0 10.00   2.80  17.78) =  99.992%  kept
          HB3   LEU   80 - HA    ALA   84   5.91 +/- 1.03   5.609% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HA    ALA   84  11.75 +/- 2.03   1.111% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    ALA   84  12.09 +/- 1.35   0.543% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   84  14.72 +/- 4.14   0.462% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ALA   84  17.00 +/- 1.97   0.215% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  14.13 +/- 3.53   0.427% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  17.89 +/- 4.02   0.535% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.48 +/- 3.79   0.336% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  18.99 +/- 5.82   0.257% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  14.10 +/- 1.85   0.365% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  24.05 +/- 2.61   0.077% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  17.34 +/- 4.22   0.315% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.63 +/- 2.14   0.262% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  20.36 +/- 5.04   0.158% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.64 +/- 3.83   0.146% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  25.65 +/- 3.73   0.061% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.8, residual support = 17.8:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  97.940% * 99.6067% (0.93  10.0 10.00   2.80  17.78) =  99.998%  kept
          HB2   TRP   49 - QB    ALA   84  13.15 +/- 2.21   0.600% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QB    ALA   84  17.05 +/- 2.47   0.547% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QB    ALA   84  13.29 +/- 2.74   0.551% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  17.00 +/- 2.70   0.362% *  0.1030% (0.96   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 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 = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.42 +/- 0.13  57.229% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.970%  kept
          HA    ALA   88 - HA    SER   85   3.13 +/- 1.11  39.737% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.019%
        T QB    SER   48 - HA    SER   85  14.12 +/- 3.50   0.606% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T HD2   PRO   52 - HA    SER   85  18.13 +/- 3.15   0.203% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HA    SER   85  10.32 +/- 2.12   1.195% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA2   GLY   51 - HA    SER   85  20.94 +/- 3.47   0.125% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    SER   85  19.18 +/- 3.40   0.189% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   85  21.78 +/- 3.66   0.142% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  25.61 +/- 3.55   0.079% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  16.28 +/- 3.23   0.323% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  29.27 +/- 2.91   0.034% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  25.22 +/- 3.29   0.064% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  25.02 +/- 5.87   0.073% *  0.0302% (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 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.42 +/- 0.13  67.497% * 91.4194% (1.00  10.0 10.00   2.26  18.03) =  98.683%  kept
          HA    ASP-  86 - QB    SER   85   4.01 +/- 0.27  16.341% *  4.9647% (0.38   1.0  1.00   2.89  13.45) =   1.297%  kept
        T HA    ILE  103 - QB    SER   85  17.46 +/- 4.01   0.292% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HA    SER   85 - QB    SER   48  14.12 +/- 3.50   0.741% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HA1   GLY   51 - QB    SER   48   9.04 +/- 0.70   1.399% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   85  10.29 +/- 1.72   1.152% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   48   8.59 +/- 4.07   4.074% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER   85  19.20 +/- 3.27   0.186% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  14.91 +/- 2.22   0.370% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  11.05 +/- 0.86   0.783% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  24.06 +/- 3.04   0.081% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  14.14 +/- 1.41   0.378% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  21.15 +/- 2.89   0.138% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  19.18 +/- 3.40   0.200% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48  10.71 +/- 3.73   1.576% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  17.68 +/- 2.89   0.232% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  20.15 +/- 2.80   0.160% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.61 +/- 0.97   0.546% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  24.60 +/- 2.22   0.079% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  12.76 +/- 2.21   0.741% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.13 +/- 3.34   0.867% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  15.91 +/- 4.02   0.471% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.09 +/- 3.85   0.184% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  31.88 +/- 4.79   0.041% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  17.44 +/- 2.17   0.214% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.99 +/- 6.26   0.098% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.17 +/- 1.51   0.486% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  30.91 +/- 4.10   0.040% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  21.77 +/- 3.43   0.151% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  28.21 +/- 2.91   0.049% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  27.74 +/- 4.99   0.082% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  20.76 +/- 2.55   0.130% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  25.01 +/- 3.70   0.091% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.67 +/- 3.24   0.032% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.75 +/- 2.67   0.060% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.83 +/- 2.67   0.037% *  0.0058% (0.06   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 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 = 3.56, residual support = 42.5:
    * O T HB2   ASP-  86 - HA    ASP-  86   2.94 +/- 0.16  97.286% * 99.6568% (1.00  10.0 10.00   3.56  42.53) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  19.36 +/- 7.37   0.814% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  86  20.55 +/- 4.19   0.541% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    ASP-  86  25.22 +/- 6.48   0.257% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  22.54 +/- 4.67   0.299% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  15.60 +/- 1.57   0.803% *  0.0197% (0.20   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 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 42.5:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.72 +/- 0.19  94.519% * 98.9853% (1.00  10.0 10.00   2.31  42.53) =  99.996%  kept
        T HB3   ASP-  62 - HA    ASP-  86  22.87 +/- 3.20   0.206% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HA    ASP-  86  19.43 +/- 4.84   1.476% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  12.52 +/- 1.85   1.218% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  12.91 +/- 3.86   1.653% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    ASP-  86  22.71 +/- 6.75   0.326% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.02 +/- 2.26   0.482% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  28.32 +/- 5.47   0.121% *  0.0173% (0.18   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 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.94 +/- 0.16  81.992% * 94.7257% (1.00  10.0 10.00   3.56  42.53) =  99.284%  kept
          HA    SER   85 - HB2   ASP-  86   5.74 +/- 0.24  11.448% *  4.8666% (0.38   1.0  1.00   2.74  13.45) =   0.712%  kept
          HB    THR   77 - HB2   ASP-  86  11.29 +/- 2.19   3.957% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB2   ASP-  86  13.20 +/- 1.46   1.054% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   ASP-  86  19.25 +/- 4.10   0.413% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  16.21 +/- 4.70   0.816% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  27.46 +/- 3.86   0.125% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  30.53 +/- 5.16   0.099% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  31.64 +/- 5.66   0.096% *  0.0461% (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 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 = 2.85, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  97.781% * 99.6638% (1.00  10.0 10.00   2.85  42.53) =  99.999%  kept
          HB3   PHE   45 - HB2   ASP-  86  11.01 +/- 1.89   0.592% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  18.51 +/- 4.76   0.531% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  11.78 +/- 4.07   0.718% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  20.90 +/- 6.66   0.110% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  20.97 +/- 3.05   0.081% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.14 +/- 2.07   0.149% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  26.69 +/- 5.67   0.039% *  0.0175% (0.18   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 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 2.31, residual support = 42.4:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.72 +/- 0.19  87.308% * 94.7254% (1.00  10.0 10.00   2.31  42.53) =  99.485%  kept
          HA    SER   85 - HB3   ASP-  86   6.02 +/- 0.38   8.770% *  4.8669% (0.38   1.0  1.00   2.74  13.45) =   0.513%  kept
          HB    THR   77 - HB3   ASP-  86  12.00 +/- 2.30   1.747% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   ASP-  86  13.78 +/- 1.30   0.780% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  19.37 +/- 4.44   0.370% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  16.34 +/- 5.08   0.771% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.77 +/- 3.64   0.098% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  30.82 +/- 4.95   0.078% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  31.91 +/- 5.49   0.077% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 2.85, residual support = 42.5:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.178% * 99.6568% (1.00  10.0 10.00   2.85  42.53) =  99.999%  kept
          HB2   ASN   28 - HB3   ASP-  86  18.04 +/- 7.38   0.263% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  18.99 +/- 4.15   0.156% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  23.93 +/- 6.90   0.075% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  21.07 +/- 5.17   0.092% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.19 +/- 1.80   0.237% *  0.0197% (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 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 = 70.6:
    * O T HB2   TRP   87 - HA    TRP   87   2.35 +/- 0.15  99.589% * 99.9010% (1.00  10.0 10.00   4.31  70.62) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  17.80 +/- 3.32   0.411% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB3   TRP   87 - HA    TRP   87   2.97 +/- 0.06  98.719% * 99.8563% (1.00  10.0 10.00   4.31  70.62) =  99.999%  kept
          HG3   GLN  116 - HA    TRP   87  21.13 +/- 3.27   0.425% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    TRP   87  20.98 +/- 5.65   0.855% *  0.0448% (0.45   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 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB2   TRP   87   2.35 +/- 0.15  98.974% * 99.8808% (1.00  10.0 10.00   4.31  70.62) = 100.000%  kept
          HA    PHE   59 - HB2   TRP   87  17.59 +/- 2.53   0.390% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   TRP   87  15.35 +/- 4.04   0.551% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  26.35 +/- 3.48   0.085% *  0.0135% (0.14   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 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 = 70.6:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.764% * 99.8563% (1.00  10.0 10.00   4.00  70.62) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  19.46 +/- 2.90   0.110% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  20.74 +/- 4.97   0.125% *  0.0448% (0.45   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 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB3   TRP   87   2.97 +/- 0.06  98.111% * 99.3033% (1.00  10.0 10.00   4.31  70.62) =  99.994%  kept
        T HA    PHE   59 - HB3   TRP   87  17.38 +/- 2.43   0.880% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.006%
          HA    LEU  104 - HB3   TRP   87  16.18 +/- 3.45   0.848% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  26.59 +/- 3.19   0.161% *  0.0134% (0.14   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 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.702% * 99.9010% (1.00  10.0 10.00   4.00  70.62) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  15.54 +/- 3.65   0.298% *  0.0990% (0.99   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 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 = 2.34, residual support = 12.1:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  97.007% * 99.6403% (1.00  10.0 10.00   2.34  12.10) =  99.998%  kept
          QG2   THR   77 - HA    ALA   88   9.80 +/- 2.24   1.460% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ALA   88  11.19 +/- 1.11   0.752% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  22.45 +/- 4.14   0.197% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  18.26 +/- 3.25   0.248% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  21.08 +/- 5.27   0.156% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.12 +/- 3.32   0.056% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  20.33 +/- 1.87   0.125% *  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 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.34, residual support = 12.1:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  90.355% * 97.3461% (1.00  10.0 10.00   2.34  12.10) =  99.972%  kept
        T HD2   PRO   52 - QB    ALA   88  15.08 +/- 2.94   1.289% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.013%
        T HA    SER   48 - QB    ALA   88  14.54 +/- 2.97   0.752% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   SER   82 - QB    ALA   88  10.67 +/- 0.58   0.740% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   85 - QB    ALA   88   5.43 +/- 0.48   6.019% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  20.17 +/- 3.99   0.143% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  18.12 +/- 3.31   0.248% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  18.93 +/- 2.27   0.150% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  20.16 +/- 3.77   0.143% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  22.03 +/- 2.78   0.092% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.00 +/- 2.15   0.068% *  0.0271% (0.28   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 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 = 216.6:
    * O T HB    ILE   89 - HA    ILE   89   2.84 +/- 0.23  91.905% * 99.6008% (0.80  10.0 10.00   5.44 216.60) =  99.988%  kept
        T HB    VAL   43 - HA    ILE   89   9.73 +/- 2.07   3.592% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          QD    LYS+  81 - HA    ILE   89  11.17 +/- 1.87   2.340% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  13.60 +/- 2.45   1.362% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HA    ILE   89  19.41 +/- 2.50   0.372% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  19.05 +/- 2.49   0.428% *  0.0192% (0.15   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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 216.6:
    * O T QG2   ILE   89 - HA    ILE   89   2.56 +/- 0.28  96.928% * 99.9320% (1.00  10.0 10.00   6.45 216.60) =  99.999%  kept
          QG1   VAL   83 - HA    ILE   89   8.84 +/- 0.81   2.491% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ILE   89  15.14 +/- 1.87   0.581% *  0.0154% (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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 216.6:
    * O T HG12  ILE   89 - HA    ILE   89   2.92 +/- 0.57  94.626% * 99.3078% (1.00  10.0 10.00   5.80 216.60) =  99.996%  kept
        T HG3   LYS+  99 - HA    ILE   89  20.88 +/- 2.77   0.402% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HA    ILE   89  15.01 +/- 2.51   1.056% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    ILE   89  15.56 +/- 3.79   1.595% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  15.49 +/- 2.09   0.991% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  21.49 +/- 2.98   0.455% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  21.11 +/- 2.61   0.511% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  21.51 +/- 2.82   0.363% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.6:
    * O T HA    ILE   89 - HB    ILE   89   2.84 +/- 0.23  86.895% * 99.2091% (0.80  10.0 10.00   5.44 216.60) =  99.987%  kept
        T HA    ILE   89 - HB    VAL   43   9.73 +/- 2.07   3.395% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.009%
          HB3   SER   82 - HB    ILE   89  10.72 +/- 1.31   2.052% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - HB    ILE   89  15.17 +/- 2.04   0.803% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HB    VAL   43  12.73 +/- 2.44   1.495% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  21.94 +/- 1.81   0.212% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  14.28 +/- 1.17   0.772% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  15.46 +/- 3.30   0.809% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  24.75 +/- 2.33   0.155% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  15.50 +/- 3.21   0.864% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.36 +/- 3.09   0.132% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  17.07 +/- 1.71   0.486% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.56 +/- 2.18   0.268% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  20.75 +/- 3.22   0.303% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  13.84 +/- 2.82   0.996% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.50 +/- 2.11   0.363% *  0.0043% (0.03   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 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 = 5.92, residual support = 216.6:
    * O T QG2   ILE   89 - HB    ILE   89   2.12 +/- 0.01  87.768% * 99.5317% (0.80  10.0 10.00   5.92 216.60) =  99.986%  kept
        T QG2   ILE   89 - HB    VAL   43   7.31 +/- 2.03   4.259% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.011%
          QG1   VAL   83 - HB    ILE   89   7.24 +/- 0.96   2.632% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - HB    ILE   89  14.75 +/- 2.29   0.367% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL   43   9.25 +/- 3.33   3.729% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43   9.84 +/- 2.00   1.245% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 216.6:
    * O T HG12  ILE   89 - HB    ILE   89   2.74 +/- 0.24  78.441% * 98.9436% (0.80  10.0 10.00   5.18 216.60) =  99.981%  kept
        T HG12  ILE   89 - HB    VAL   43   8.24 +/- 1.83   4.050% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.011%
          HD2   LYS+ 112 - HB    ILE   89  16.09 +/- 4.18   6.582% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HB    ILE   89  20.19 +/- 3.22   0.346% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HB    VAL   43  13.87 +/- 1.40   0.681% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  16.23 +/- 2.53   0.542% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  13.98 +/- 2.22   0.716% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43  10.29 +/- 2.62   2.042% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  12.65 +/- 2.78   1.861% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  13.28 +/- 2.79   1.422% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  20.68 +/- 2.72   0.292% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  20.16 +/- 2.62   0.348% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.45 +/- 3.74   1.575% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  20.06 +/- 3.13   0.271% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  18.71 +/- 1.88   0.312% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  17.07 +/- 3.17   0.519% *  0.0067% (0.05   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 216.6:
    * O T HA    ILE   89 - QG2   ILE   89   2.56 +/- 0.28  93.060% * 99.5272% (1.00  10.0 10.00   6.45 216.60) =  99.995%  kept
          HB3   SER   82 - QG2   ILE   89   9.15 +/- 0.83   2.669% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  11.88 +/- 1.90   1.711% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QG2   ILE   89  12.00 +/- 2.51   1.506% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  18.45 +/- 1.65   0.277% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.81 +/- 2.33   0.199% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  22.08 +/- 2.35   0.191% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  17.59 +/- 2.88   0.387% *  0.0154% (0.15   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 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 216.6:
    * O T HB    ILE   89 - QG2   ILE   89   2.12 +/- 0.01  90.319% * 99.0138% (0.80  10.0 10.00   5.92 216.60) =  99.983%  kept
        T HB    VAL   43 - QG2   ILE   89   7.31 +/- 2.03   4.390% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   LYS+  99 - QG2   ILE   89  16.06 +/- 2.12   0.255% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   8.23 +/- 1.88   3.252% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QG2   ILE   89  15.73 +/- 2.17   0.308% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QG2   ILE   89  10.51 +/- 2.16   1.476% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 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 = 6.31, residual support = 216.6:
    * O T HG12  ILE   89 - QG2   ILE   89   2.87 +/- 0.34  77.454% * 99.3078% (1.00  10.0 10.00   6.31 216.60) =  99.986%  kept
          HD2   LYS+ 112 - QG2   ILE   89  12.40 +/- 3.56  17.251% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.007%
        T HG3   LYS+  99 - QG2   ILE   89  17.24 +/- 2.30   0.677% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - QG2   ILE   89  12.53 +/- 2.32   1.315% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   89  11.31 +/- 1.77   1.841% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  17.22 +/- 2.22   0.457% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  16.76 +/- 2.05   0.474% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.76 +/- 2.73   0.531% *  0.0248% (0.25   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 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 216.5:
    * O T HA    ILE   89 - HG12  ILE   89   2.92 +/- 0.57  75.219% * 98.5945% (1.00  10.0 10.00   5.80 216.60) =  99.959%  kept
        T HB    THR   39 - HG3   LYS+  99  10.30 +/- 5.31   5.891% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.031%
          HB3   SER   37 - HG3   LYS+  99  12.51 +/- 5.80   6.561% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.004%
          HB3   SER   82 - HG12  ILE   89  11.55 +/- 1.43   2.084% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE   89 - HG3   LYS+  99  20.88 +/- 2.77   0.319% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR  118 - HG12  ILE   89  14.38 +/- 2.57   0.742% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG3   LYS+  99  19.31 +/- 5.80   1.413% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HG3   LYS+  99  15.13 +/- 3.69   5.116% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  21.17 +/- 1.71   0.242% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  17.30 +/- 3.13   0.581% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  24.09 +/- 2.13   0.163% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.93 +/- 2.74   0.723% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.14 +/- 2.64   0.138% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.61 +/- 4.93   0.404% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  20.27 +/- 2.75   0.305% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.63 +/- 3.22   0.099% *  0.0079% (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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.645, support = 5.27, residual support = 206.9:
    * O T HB    ILE   89 - HG12  ILE   89   2.74 +/- 0.24  29.575% * 78.0851% (0.80  10.0 10.00   5.18 216.60) =  76.911%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.70 +/- 0.33  32.848% * 14.8429% (0.15  10.0  1.00   5.23 174.58) =  16.238%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.70 +/- 0.29  33.633% *  6.1021% (0.06  10.0 10.00   6.42 174.58) =   6.835%  kept
        T HB    VAL   43 - HG12  ILE   89   8.24 +/- 1.83   1.525% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB    ILE   89 - HG3   LYS+  99  20.19 +/- 3.22   0.152% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  99 - HG12  ILE   89  17.72 +/- 2.79   0.157% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - HG3   LYS+  99  13.87 +/- 1.40   0.239% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HG12  ILE   89  13.45 +/- 2.41   0.538% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.58 +/- 3.13   0.112% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.89 +/- 1.95   0.637% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.04 +/- 2.81   0.130% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.27 +/- 4.92   0.454% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 216.0:
    * O T QG2   ILE   89 - HG12  ILE   89   2.87 +/- 0.34  59.762% * 98.9293% (1.00  10.0 10.00   6.31 216.60) =  99.675%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.85 +/- 0.76  32.239% *  0.5811% (0.06   1.0  1.00   1.88  18.65) =   0.316%  kept
          QG1   VAL   83 - HG12  ILE   89   7.81 +/- 1.53   6.342% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T QG2   ILE   89 - HG3   LYS+  99  17.24 +/- 2.30   0.483% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HG12  ILE   89  14.10 +/- 2.33   0.765% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  17.89 +/- 3.61   0.409% *  0.0211% (0.21   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 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 = 89.3:
    * O T HB2   GLN   90 - HA    GLN   90   2.66 +/- 0.22  97.986% * 98.5005% (0.78  10.0 10.00   3.96  89.31) =  99.981%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.61 +/- 2.71   1.537% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.019%
          HB3   GLU-  29 - HA    GLN   90  26.38 +/- 3.91   0.134% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.78 +/- 2.66   0.114% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  25.95 +/- 4.12   0.148% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.40 +/- 2.08   0.081% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 3.96, residual support = 89.3:
    * O T HB3   GLN   90 - HA    GLN   90   2.76 +/- 0.27  85.979% * 99.0333% (0.82  10.0 10.00   3.96  89.31) =  99.986%  kept
          QB    LYS+  81 - HA    GLN   90   8.44 +/- 2.67   5.444% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HA    GLN   90  11.99 +/- 2.98   1.899% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    GLN   90   8.42 +/- 0.70   3.470% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HA    GLN   90  17.65 +/- 3.28   0.601% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    GLN   90  18.06 +/- 3.03   0.632% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    GLN   90  18.85 +/- 3.16   0.440% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  17.66 +/- 3.57   0.438% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  21.55 +/- 3.65   0.243% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.16 +/- 3.92   0.469% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  24.04 +/- 2.90   0.154% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  25.07 +/- 3.33   0.146% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.54 +/- 2.21   0.087% *  0.0990% (0.82   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.3:
    * O T QG    GLN   90 - HA    GLN   90   2.60 +/- 0.55  94.178% * 99.3855% (0.88  10.0 10.00   3.29  89.31) =  99.997%  kept
          HB2   ASP-  44 - HA    GLN   90  13.65 +/- 1.63   1.017% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    GLN   90   8.68 +/- 0.89   3.490% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLN   90  18.85 +/- 1.59   0.347% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  18.22 +/- 2.20   0.433% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  27.07 +/- 3.83   0.154% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  26.31 +/- 2.93   0.128% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  31.59 +/- 5.56   0.088% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  25.22 +/- 4.12   0.165% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.3:
    * O T HA    GLN   90 - HB2   GLN   90   2.66 +/- 0.22  93.860% * 98.8405% (0.78  10.0 10.00   3.96  89.31) =  99.986%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.61 +/- 2.71   1.473% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          HA    ALA  110 - HB2   GLN   90  14.13 +/- 3.01   1.016% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  20.76 +/- 5.25   0.704% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB3   GLU-  79  21.94 +/- 4.09   0.458% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  20.70 +/- 3.20   0.245% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.45 +/- 2.12   0.593% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  17.51 +/- 1.86   0.414% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  14.23 +/- 2.82   0.958% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  19.44 +/- 2.32   0.280% *  0.0113% (0.09   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 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 = 3.98, residual support = 89.3:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  92.443% * 96.7995% (0.67  10.0 10.00   3.98  89.31) =  99.990%  kept
        T HB3   GLN   90 - HB3   GLU-  79  14.09 +/- 2.90   0.541% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  81 - HB3   GLU-  79   7.49 +/- 1.12   1.500% *  0.0752% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   GLN   90   9.30 +/- 2.78   0.981% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HB2   GLN   90  12.55 +/- 2.81   0.429% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.94 +/- 0.97   0.775% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  18.52 +/- 4.78   0.311% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  15.18 +/- 3.82   0.520% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  29.58 +/- 2.41   0.021% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  19.82 +/- 5.71   0.739% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  18.70 +/- 3.37   0.136% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  15.48 +/- 4.65   0.264% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  18.77 +/- 3.05   0.171% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  16.51 +/- 2.01   0.129% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  19.21 +/- 4.23   0.168% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  18.39 +/- 3.46   0.115% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  18.94 +/- 3.85   0.101% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  20.06 +/- 3.22   0.082% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.61 +/- 3.71   0.124% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  20.68 +/- 3.18   0.087% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  20.20 +/- 3.97   0.097% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.36 +/- 4.15   0.114% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  22.90 +/- 3.28   0.051% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  25.12 +/- 2.52   0.035% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  25.89 +/- 2.86   0.033% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  26.51 +/- 3.38   0.033% *  0.0610% (0.42   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 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.3:
    * O T QG    GLN   90 - HB2   GLN   90   2.44 +/- 0.14  91.010% * 96.7466% (0.72  10.0 10.00   3.61  89.31) =  99.983%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.15 +/- 2.70   1.305% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.010%
        T QB    MET   11 - HB3   GLU-  79  24.32 +/- 5.19   0.216% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  11.92 +/- 2.17   1.327% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  18.16 +/- 5.00   0.408% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  15.28 +/- 1.72   0.469% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   GLN   90   9.17 +/- 1.48   2.488% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  32.98 +/- 5.30   0.054% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.04 +/- 1.89   0.463% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  26.46 +/- 3.86   0.085% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  20.13 +/- 3.61   0.253% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.29 +/- 1.49   0.169% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.28 +/- 3.16   0.203% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  19.39 +/- 3.88   0.356% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  19.22 +/- 2.50   0.247% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.77 +/- 3.77   0.802% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.50 +/- 3.70   0.073% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.67 +/- 2.95   0.071% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.3:
    * O T HA    GLN   90 - HB3   GLN   90   2.76 +/- 0.27  96.915% * 99.7400% (0.82  10.0 10.00   3.96  89.31) =  99.998%  kept
          HA    ALA  110 - HB3   GLN   90  13.97 +/- 2.70   1.103% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  20.73 +/- 3.14   0.360% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  16.89 +/- 1.58   0.463% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  13.65 +/- 2.78   1.159% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.3:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.304% * 98.2851% (0.67  10.0 10.00   3.98  89.31) =  99.993%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.09 +/- 2.90   0.581% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LYS+  38 - HB3   GLN   90  29.77 +/- 1.72   0.021% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  27.06 +/- 3.58   0.031% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.24 +/- 2.14   0.028% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  26.64 +/- 3.94   0.034% *  0.0744% (0.51   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 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 = 3.61, residual support = 89.3:
    * O T QG    GLN   90 - HB3   GLN   90   2.32 +/- 0.15  97.083% * 99.3855% (0.75  10.0 10.00   3.61  89.31) =  99.999%  kept
          HB2   ASP-  44 - HB3   GLN   90  14.85 +/- 1.68   0.460% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB3   GLN   90   9.48 +/- 1.16   1.774% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  19.81 +/- 1.55   0.174% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  18.89 +/- 2.34   0.234% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.26 +/- 2.86   0.068% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.14 +/- 3.68   0.065% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  32.57 +/- 5.17   0.051% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  25.92 +/- 3.84   0.091% *  0.0247% (0.19   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.3:
    * O T HA    GLN   90 - QG    GLN   90   2.60 +/- 0.55  93.357% * 99.7400% (0.88  10.0 10.00   3.29  89.31) =  99.996%  kept
          HA    ALA  110 - QG    GLN   90  12.79 +/- 2.77   2.675% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - QG    GLN   90  12.36 +/- 2.92   2.752% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  18.54 +/- 2.95   0.426% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.13 +/- 1.49   0.791% *  0.0495% (0.44   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.3:
    * O T HB2   GLN   90 - QG    GLN   90   2.44 +/- 0.14  98.139% * 97.8434% (0.72  10.0 10.00   3.61  89.31) =  99.982%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.15 +/- 2.70   1.408% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   GLU-  29 - QG    GLN   90  23.76 +/- 4.06   0.139% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  24.13 +/- 3.72   0.125% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  24.28 +/- 2.20   0.109% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.55 +/- 1.71   0.080% *  0.0242% (0.18   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 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.748, support = 3.6, residual support = 89.0:
    * O T HB3   GLN   90 - QG    GLN   90   2.32 +/- 0.15  88.368% * 88.6652% (0.75  10.0 10.00   3.61  89.31) =  99.631%  kept
        T HB2   MET   92 - QG    GLN   90   8.52 +/- 1.03   2.683% * 10.5209% (0.44   1.0 10.00   0.41   0.02) =   0.359%  kept
          QB    LYS+  81 - QG    GLN   90   7.95 +/- 2.66   4.756% *  0.0952% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+ 106 - QG    GLN   90  10.77 +/- 2.76   1.573% *  0.0980% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QG    GLN   90  16.33 +/- 2.78   0.670% *  0.0687% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  16.55 +/- 3.17   0.402% *  0.1004% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG    GLN   90  15.81 +/- 3.24   0.392% *  0.0601% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  17.97 +/- 2.84   0.263% *  0.0644% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  19.92 +/- 3.31   0.200% *  0.0687% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.69 +/- 3.86   0.383% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  21.94 +/- 2.57   0.128% *  0.0811% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.78 +/- 1.87   0.071% *  0.0887% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  23.08 +/- 3.29   0.109% *  0.0558% (0.47   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 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 = 2.25, residual support = 12.8:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  98.404% * 98.3255% (1.00  10.0 10.00   2.25  12.79) =  99.998%  kept
        T QG2   THR   39 - HA    ALA   91  21.55 +/- 2.47   0.122% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  13.29 +/- 2.83   0.652% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  20.06 +/- 3.11   0.143% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  17.49 +/- 2.96   0.222% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.54 +/- 4.04   0.151% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.45 +/- 3.60   0.082% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  21.03 +/- 1.86   0.113% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.18 +/- 2.58   0.073% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.24 +/- 2.36   0.037% *  0.0882% (0.90   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 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.25, residual support = 12.8:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  88.202% * 99.0540% (1.00  10.0 10.00   2.25  12.79) =  99.996%  kept
          HA    VAL  107 - QB    ALA   91  10.39 +/- 1.89   1.025% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   91   9.27 +/- 3.55   3.518% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  10.70 +/- 2.19   1.390% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  21.55 +/- 2.47   0.109% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   23   6.57 +/- 0.83   3.770% *  0.0096% (0.10   1.0  1.00   0.02   1.22) =   0.000%
          HA    PRO   52 - QB    ALA   91  12.11 +/- 3.16   0.822% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  18.84 +/- 2.76   0.150% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  20.06 +/- 3.11   0.128% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.79 +/- 2.90   0.275% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.91 +/- 3.45   0.219% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  22.79 +/- 2.68   0.095% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  22.71 +/- 2.88   0.088% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  22.13 +/- 2.74   0.097% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  24.15 +/- 3.92   0.113% *  0.0021% (0.02   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 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 = 132.3:
    * O T HA    PRO   93 - HD2   PRO   93   3.91 +/- 0.09 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.33) = 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 = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.89 +/- 0.18  60.564% * 99.2584% (0.73  10.0 10.00   5.40 132.33) =  99.967%  kept
          HG3   PRO   52 - HD2   PRO   93   8.85 +/- 4.64  23.035% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.012%
          HB2   ARG+  54 - HD2   PRO   93  12.52 +/- 3.65   7.580% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.011%
          HB    VAL  108 - HD2   PRO   93  10.68 +/- 2.43   4.485% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   GLN   30 - HD2   PRO   93  22.65 +/- 1.90   0.336% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD2   PRO   93  14.83 +/- 2.93   1.547% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD2   PRO   93  15.03 +/- 3.43   1.551% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.40 +/- 1.79   0.346% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.41 +/- 2.23   0.231% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  29.38 +/- 3.79   0.206% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  35.71 +/- 5.07   0.119% *  0.0408% (0.30   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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 4.0, residual support = 132.2:
    * O T HG2   PRO   93 - HD2   PRO   93   2.51 +/- 0.28  84.890% * 98.8310% (0.73  10.0 10.00   4.00 132.33) =  99.905%  kept
          HB3   PRO   52 - HD2   PRO   93   9.02 +/- 4.57  12.144% *  0.6417% (0.22   1.0  1.00   0.42   0.02) =   0.093%
          QB    LYS+  65 - HD2   PRO   93  14.87 +/- 3.59   0.870% *  0.0826% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  16.80 +/- 2.38   0.373% *  0.0886% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.05 +/- 4.42   0.712% *  0.0305% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  18.94 +/- 1.93   0.237% *  0.0718% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.62 +/- 1.66   0.287% *  0.0560% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.64 +/- 1.56   0.175% *  0.0912% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  22.12 +/- 3.73   0.196% *  0.0791% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  24.73 +/- 3.42   0.116% *  0.0275% (0.20   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 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 = 132.3:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  94.238% * 98.6805% (0.65  10.0 10.00   4.00 132.33) =  99.993%  kept
          HB3   CYS   53 - HD2   PRO   93   9.17 +/- 3.34   3.330% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          QB    PHE   55 - HD2   PRO   93  10.15 +/- 4.11   1.618% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HD2   PRO   93  20.33 +/- 2.97   0.083% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HD2   PRO   93  13.99 +/- 3.29   0.291% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  12.53 +/- 2.87   0.440% *  0.0579% (0.38   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 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD3   PRO   93   3.86 +/- 0.09  98.185% * 99.8223% (0.90  10.0 10.00   5.31 132.33) =  99.997%  kept
        T HA    PRO   93 - HD3   PRO   68  17.26 +/- 3.12   1.815% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.12 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 = 0.892, support = 5.36, residual support = 131.4:
    * O T HB2   PRO   93 - HD3   PRO   93   3.97 +/- 0.21  48.800% * 96.1287% (0.90  10.0 10.00   5.40 132.33) =  99.280%  kept
          HG3   PRO   52 - HD3   PRO   93   8.76 +/- 4.94  23.716% *  1.1983% (0.28   1.0  1.00   0.81   0.02) =   0.601%  kept
        T HB2   ARG+  54 - HD3   PRO   93  12.26 +/- 3.92   4.652% *  0.8338% (0.78   1.0 10.00   0.02   0.02) =   0.082%
        T HB2   ARG+  54 - HD3   PRO   68  19.63 +/- 5.47   4.589% *  0.1484% (0.14   1.0 10.00   0.02   0.02) =   0.014%
          HB    VAL  108 - HD3   PRO   93  11.11 +/- 2.80   3.888% *  0.0770% (0.72   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   PRO   93 - HD3   PRO   68  17.30 +/- 2.50   0.930% *  0.1711% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  14 - HD3   PRO   68  15.45 +/- 2.96   1.435% *  0.0642% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  22.50 +/- 2.16   0.307% *  0.2673% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HD3   PRO   93  29.18 +/- 3.87   0.220% *  0.3608% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD3   PRO   93  14.65 +/- 2.96   1.411% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HD3   PRO   68  22.20 +/- 4.05   0.905% *  0.0703% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  15.72 +/- 2.31   0.904% *  0.0476% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  35.49 +/- 5.20   0.102% *  0.3952% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  14.73 +/- 3.45   1.249% *  0.0297% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   68  14.19 +/- 4.65   2.681% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   93  22.28 +/- 2.03   0.316% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  26.60 +/- 2.23   0.214% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.86 +/- 2.32   0.923% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  20.14 +/- 5.37   0.915% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.77 +/- 2.34   0.968% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.54 +/- 2.41   0.338% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  22.06 +/- 3.95   0.540% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.887, support = 3.95, residual support = 130.3:
    * O T HG2   PRO   93 - HD3   PRO   93   2.69 +/- 0.29  55.874% * 92.5546% (0.90  10.0 10.00   4.00 132.33) =  98.480%  kept
        T HB3   PRO   52 - HD3   PRO   93   8.91 +/- 4.82   9.928% *  5.5317% (0.28   1.0 10.00   0.39   0.02) =   1.046%  kept
          QB    LYS+  66 - HD3   PRO   68   4.26 +/- 1.06  21.744% *  1.1313% (0.14   1.0  1.00   1.53   0.02) =   0.468%  kept
          QB    LYS+  65 - HD3   PRO   68   7.30 +/- 1.05   3.872% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   93  14.60 +/- 3.41   0.623% *  0.0773% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  19.10 +/- 2.65   0.201% *  0.1647% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  16.57 +/- 2.33   0.294% *  0.0830% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.99 +/- 3.79   0.254% *  0.0741% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  18.88 +/- 2.11   0.256% *  0.0672% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.26 +/- 1.17   1.245% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  17.87 +/- 1.57   0.240% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  20.89 +/- 1.36   0.137% *  0.0854% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.01 +/- 3.60   2.184% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.49 +/- 2.07   0.761% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  19.81 +/- 4.55   0.311% *  0.0286% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  21.66 +/- 3.62   0.149% *  0.0508% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  14.55 +/- 6.34   1.250% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  19.27 +/- 3.54   0.334% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  24.52 +/- 3.54   0.101% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.48 +/- 3.04   0.241% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 132.3:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.066% * 99.5607% (0.65  10.0 10.00   4.00 132.33) =  99.999%  kept
          HA    THR   77 - HD3   PRO   93  11.20 +/- 2.42   0.569% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  20.33 +/- 2.97   0.088% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  21.01 +/- 2.38   0.066% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  18.56 +/- 3.00   0.118% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  19.31 +/- 2.33   0.093% *  0.0177% (0.12   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 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 = 132.3:
    * O T HB2   PRO   93 - HA    PRO   93   2.60 +/- 0.20  88.828% * 99.2584% (1.00  10.0 10.00   5.98 132.33) =  99.993%  kept
          HG3   PRO   52 - HA    PRO   93   9.79 +/- 3.47   5.442% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HA    PRO   93  10.40 +/- 2.40   2.081% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HA    PRO   93  12.31 +/- 2.38   1.072% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.51 +/- 2.20   0.236% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  13.47 +/- 2.44   1.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  13.59 +/- 2.49   0.753% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  19.30 +/- 2.01   0.240% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.95 +/- 1.56   0.132% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.07 +/- 3.65   0.148% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  32.54 +/- 4.73   0.067% *  0.0408% (0.41   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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.94 +/- 0.04  70.286% * 99.4388% (1.00  10.0 10.00   5.31 132.33) =  99.973%  kept
          QB    LYS+  65 - HA    PRO   93  12.05 +/- 3.77  13.056% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.016%
          HB3   PRO   52 - HA    PRO   93  10.07 +/- 2.94   7.664% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    PRO   93  14.19 +/- 2.42   2.181% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HA    PRO   93  18.90 +/- 3.41   1.242% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    PRO   93  15.88 +/- 1.53   1.247% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    PRO   93  15.48 +/- 1.33   1.257% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.91 +/- 1.19   0.673% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  18.67 +/- 3.72   1.829% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    PRO   93  21.46 +/- 3.57   0.565% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 132.3:
    * O T HD2   PRO   93 - HA    PRO   93   3.91 +/- 0.09  88.349% * 99.7770% (0.73  10.0 10.00   5.31 132.33) =  99.984%  kept
          HA    THR   77 - HA    PRO   93   9.17 +/- 2.48  10.654% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.015%
          HB2   TRP   27 - HA    PRO   93  18.28 +/- 2.32   0.997% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.86 +/- 0.09  72.107% * 98.6805% (0.90  10.0 10.00   5.31 132.33) =  99.946%  kept
          HB3   CYS   53 - HA    PRO   93   8.21 +/- 2.54  14.582% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.022%
        T HD3   PRO   68 - HA    PRO   93  17.26 +/- 3.12   1.354% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.018%
          QB    PHE   55 - HA    PRO   93  10.30 +/- 2.60   5.815% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HA    PRO   93  10.70 +/- 2.16   4.328% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HA    PRO   93  13.83 +/- 2.15   1.814% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.90 A violated in 0 structures by 0.03 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 = 132.3:
    * O T HG2   PRO   93 - HB2   PRO   93   2.53 +/- 0.29  78.163% * 99.0260% (1.00  10.0 10.00   5.40 132.33) =  99.981%  kept
        T HB3   PRO   52 - HB2   PRO   93   9.47 +/- 2.89   3.254% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.013%
          QB    LYS+  65 - HB2   PRO   93  12.15 +/- 3.48   2.311% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB2   PRO   93  14.08 +/- 2.28   0.693% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PRO   93  17.52 +/- 3.86   1.906% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  11.05 +/- 2.47   1.579% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.03 +/- 3.19   4.965% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.61 +/- 1.48   0.329% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  19.35 +/- 3.47   0.284% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  15.97 +/- 1.59   0.358% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.18 +/- 1.28   0.198% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30   9.46 +/- 2.14   2.910% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.23 +/- 1.85   0.135% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  13.10 +/- 2.25   0.786% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.82 +/- 3.74   0.666% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  21.99 +/- 3.34   0.167% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  14.87 +/- 2.29   0.492% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.85 +/- 3.41   0.524% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  23.37 +/- 3.84   0.169% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.87 +/- 2.82   0.111% *  0.0024% (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 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HD2   PRO   93 - HB2   PRO   93   3.89 +/- 0.18  74.772% * 99.6822% (0.73  10.0 10.00   5.40 132.33) =  99.988%  kept
          HA    THR   77 - HB2   PRO   93  10.58 +/- 2.01   5.367% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          HB2   TRP   27 - HG3   GLN   30   6.58 +/- 0.61  17.550% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  19.38 +/- 2.09   0.703% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HG3   GLN   30  22.65 +/- 1.90   0.407% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  16.68 +/- 3.06   1.201% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.97 +/- 0.21  61.255% * 97.4649% (0.90  10.0 10.00   5.40 132.33) =  99.894%  kept
        T HD2   ARG+  54 - HB2   PRO   93  13.41 +/- 2.64   1.968% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.036%
          HB3   CYS   53 - HB2   PRO   93   7.96 +/- 2.81  17.412% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.031%
        T HD3   PRO   68 - HB2   PRO   93  17.30 +/- 2.50   1.159% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.018%
          QB    PHE   55 - HB2   PRO   93   9.37 +/- 2.99   8.123% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.012%
          HB2   PHE   59 - HB2   PRO   93   9.68 +/- 2.53   6.485% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T HD3   PRO   68 - HG3   GLN   30  15.72 +/- 2.31   1.237% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   PRO   93 - HG3   GLN   30  22.50 +/- 2.16   0.385% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  26.36 +/- 4.00   0.307% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.53 +/- 3.28   0.547% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.79 +/- 2.57   0.430% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.79 +/- 2.73   0.692% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 132.3:
    * O T HA    PRO   93 - HG2   PRO   93   3.94 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.33) = 100.000%  kept
    Distance limit 5.03 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 = 0.999, support = 5.39, residual support = 132.2:
    * O T HB2   PRO   93 - HG2   PRO   93   2.53 +/- 0.29  72.351% * 98.7141% (1.00  10.0 10.00   5.40 132.33) =  99.906%  kept
        T HG3   PRO   52 - HG2   PRO   93   8.85 +/- 4.13  18.748% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.080%
        T HG2   PRO   58 - HG2   PRO   93  13.43 +/- 3.62   1.206% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HG2   PRO   93  11.92 +/- 3.56   4.232% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL  108 - HG2   PRO   93  10.44 +/- 2.68   2.206% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG2   PRO   93  13.16 +/- 3.07   0.826% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   PRO   93  22.23 +/- 1.85   0.126% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.96 +/- 1.61   0.128% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  25.86 +/- 2.03   0.078% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  28.72 +/- 3.63   0.066% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  35.13 +/- 4.59   0.033% *  0.0406% (0.41   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 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 = 132.3:
    * O T HD2   PRO   93 - HG2   PRO   93   2.51 +/- 0.28  98.382% * 99.7770% (0.73  10.0 10.00   4.00 132.33) =  99.998%  kept
          HA    THR   77 - HG2   PRO   93  11.83 +/- 1.92   1.413% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HG2   PRO   93  21.05 +/- 2.08   0.205% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.69 +/- 0.29  71.923% * 98.6805% (0.90  10.0 10.00   4.00 132.33) =  99.957%  kept
          HB3   CYS   53 - HG2   PRO   93   8.47 +/- 3.24  16.574% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.025%
          QB    PHE   55 - HG2   PRO   93   9.13 +/- 4.02   8.243% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.010%
        T HD3   PRO   68 - HG2   PRO   93  19.10 +/- 2.65   0.315% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG2   PRO   93  10.82 +/- 3.20   2.147% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG2   PRO   93  13.41 +/- 3.35   0.797% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 24.4:
    * O T HB    THR   94 - HA    THR   94   3.01 +/- 0.11  87.215% * 99.2375% (0.84  10.0 10.00   2.43  24.41) =  99.989%  kept
          QB    SER   85 - HA    THR   94  12.44 +/- 1.86   1.750% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HA    THR   94  15.22 +/- 3.59   1.837% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  10.48 +/- 2.23   3.288% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HA    THR   94  12.69 +/- 1.45   1.375% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HA    THR   94  16.04 +/- 2.41   0.952% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  15.92 +/- 2.41   0.836% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  15.38 +/- 1.67   0.798% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  12.29 +/- 2.03   1.757% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  23.80 +/- 2.81   0.192% *  0.0992% (0.84   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 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 24.4:
    * O T QG2   THR   94 - HA    THR   94   2.42 +/- 0.30  94.654% * 99.7175% (1.00  10.0 10.00   2.86  24.41) =  99.996%  kept
          HD2   LYS+ 112 - HA    THR   94  11.28 +/- 2.86   2.121% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HA    THR   94  11.00 +/- 1.81   1.520% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    THR   94  18.26 +/- 3.14   0.656% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    THR   94  11.55 +/- 0.99   1.049% *  0.0308% (0.31   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 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.4:
    * O T HA    THR   94 - HB    THR   94   3.01 +/- 0.11  98.001% * 99.9751% (0.84  10.0 10.00   2.43  24.41) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.82 +/- 2.83   1.999% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 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 = 2.42, residual support = 24.4:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  97.537% * 99.7175% (0.84  10.0 10.00   2.42  24.41) =  99.998%  kept
          HD2   LYS+ 112 - HB    THR   94  13.30 +/- 3.12   0.887% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  13.11 +/- 1.95   0.543% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.26 +/- 1.21   0.770% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.76 +/- 2.86   0.263% *  0.0724% (0.61   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 24.4:
    * O T HA    THR   94 - QG2   THR   94   2.42 +/- 0.30  98.323% * 99.9751% (1.00  10.0 10.00   2.86  24.41) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.87 +/- 2.09   1.677% *  0.0249% (0.25   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 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.42, residual support = 24.4:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  92.794% * 99.2375% (0.84  10.0 10.00   2.42  24.41) =  99.994%  kept
          QB    SER   85 - QG2   THR   94   9.28 +/- 1.85   1.518% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QG2   THR   94  10.81 +/- 1.77   1.193% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  13.21 +/- 3.16   0.865% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.03 +/- 1.81   1.338% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QG2   THR   94  14.76 +/- 2.00   0.405% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QG2   THR   94  14.30 +/- 1.95   0.383% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  14.20 +/- 1.87   0.419% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.66 +/- 2.26   0.953% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  19.86 +/- 2.45   0.130% *  0.0992% (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 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 = 73.4:
    * O T HB2   PHE   95 - HA    PHE   95   2.99 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.42) = 100.000%  kept
    Distance limit 3.81 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 = 73.4:
    * O T HB3   PHE   95 - HA    PHE   95   2.55 +/- 0.19  97.720% * 99.8670% (1.00  10.0 10.00   4.00  73.42) =  99.998%  kept
          HG2   GLN  116 - HA    PHE   95  12.21 +/- 1.79   2.104% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HA    PHE   95  22.08 +/- 2.35   0.176% *  0.0341% (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 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.4:
    * O T HA    PHE   95 - HB2   PHE   95   2.99 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.42) = 100.000%  kept
    Distance limit 3.90 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 = 73.4:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  98.962% * 99.8670% (1.00  10.0 10.00   3.31  73.42) =  99.999%  kept
          HG2   GLN  116 - HB2   PHE   95  10.61 +/- 1.84   0.994% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HB2   PHE   95  24.07 +/- 2.66   0.044% *  0.0341% (0.34   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 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.4:
    * O T HA    PHE   95 - HB3   PHE   95   2.55 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.42) = 100.000%  kept
    Distance limit 3.55 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 = 73.4:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.42) = 100.000%  kept
    Distance limit 2.68 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 = 0.977, support = 4.98, residual support = 114.7:
    * O T HB2   MET   96 - HA    MET   96   2.99 +/- 0.14  83.956% * 95.8352% (0.98  10.0 10.00   5.00 115.41) =  99.420%  kept
          HB2   ASP- 105 - HA    MET   96   6.04 +/- 0.87  12.147% *  3.8398% (0.40   1.0  1.00   1.95   0.02) =   0.576%  kept
          HB    VAL   70 - HA    MET   96  12.79 +/- 2.24   1.420% *  0.0732% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.78 +/- 0.91   0.729% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  14.76 +/- 1.66   0.813% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  17.65 +/- 3.16   0.651% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    MET   96  21.58 +/- 3.59   0.284% *  0.0543% (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 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HA    MET   96   2.70 +/- 0.17  98.265% * 99.7402% (0.98  10.0 10.00   5.00 115.41) =  99.999%  kept
          HB2   LEU   40 - HA    MET   96  13.07 +/- 2.48   1.049% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  23.37 +/- 3.45   0.223% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.56 +/- 2.63   0.374% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.78 +/- 4.30   0.089% *  0.0685% (0.67   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 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   2.57 +/- 0.42  99.484% * 99.6261% (0.98  10.0 10.00   4.44 115.41) =  99.998%  kept
        T HB2   PRO   52 - HA    MET   96  17.24 +/- 3.11   0.516% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.95 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 = 0.594, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   3.11 +/- 0.52  86.377% * 99.7437% (0.59  10.0 10.00   4.44 115.41) =  99.994%  kept
          HB3   TRP   87 - HA    MET   96   9.10 +/- 2.94   9.993% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HA    MET   96  13.86 +/- 3.18   2.041% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - HA    MET   96  14.96 +/- 2.01   1.290% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    MET   96  22.62 +/- 2.40   0.298% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 115.4:
    * O T HA    MET   96 - HB2   MET   96   2.99 +/- 0.14  96.830% * 99.9773% (0.98  10.0 10.00   5.00 115.41) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  10.66 +/- 2.77   3.170% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 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 = 115.4:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.464% * 99.7402% (1.00  10.0 10.00   5.00 115.41) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  12.42 +/- 2.12   0.334% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.71 +/- 3.32   0.068% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.81 +/- 2.72   0.102% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  28.95 +/- 4.44   0.031% *  0.0685% (0.69   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 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB2   MET   96   2.86 +/- 0.16  99.493% * 99.6261% (1.00  10.0 10.00   4.44 115.41) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  17.88 +/- 2.86   0.507% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.06 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 = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.59 +/- 0.29  91.501% * 99.7437% (0.61  10.0 10.00   4.44 115.41) =  99.996%  kept
          HB3   TRP   87 - HB2   MET   96   8.08 +/- 2.85   6.384% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HB2   MET   96  14.16 +/- 2.78   1.115% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  16.59 +/- 2.05   0.801% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  21.23 +/- 2.46   0.199% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.70 +/- 0.17  96.234% * 99.9773% (0.98  10.0 10.00   5.00 115.41) =  99.999%  kept
          HA    PHE   72 - HB3   MET   96  11.53 +/- 2.70   3.766% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 115.4:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  97.977% * 99.6213% (1.00  10.0 10.00   5.00 115.41) =  99.999%  kept
          HB2   ASP- 105 - HB3   MET   96   8.39 +/- 0.96   1.035% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.75 +/- 1.65   0.295% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.34 +/- 2.18   0.284% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.07 +/- 1.34   0.168% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.14 +/- 3.31   0.153% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  20.21 +/- 3.86   0.087% *  0.0564% (0.57   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 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 = 115.4:
    * O T HG2   MET   96 - HB3   MET   96   2.76 +/- 0.26  99.487% * 99.6261% (1.00  10.0 10.00   4.44 115.41) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  17.36 +/- 3.09   0.513% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.90 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 = 0.606, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.76 +/- 0.28  85.420% * 99.7437% (0.61  10.0 10.00   4.44 115.41) =  99.993%  kept
          HB3   TRP   87 - HB3   MET   96   7.73 +/- 3.34  12.711% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  62 - HB3   MET   96  14.33 +/- 2.98   1.093% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  16.39 +/- 2.19   0.587% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  22.10 +/- 2.33   0.189% *  0.1374% (0.84   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 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   2.57 +/- 0.42  97.752% * 99.6779% (0.98  10.0 10.00   4.44 115.41) =  99.998%  kept
        T HA    MET   96 - HB2   PRO   52  17.24 +/- 3.11   0.507% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   72 - HG2   MET   96  12.50 +/- 2.70   1.354% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  21.03 +/- 3.78   0.387% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.999, support = 4.44, residual support = 115.2:
    * O T HB2   MET   96 - HG2   MET   96   2.86 +/- 0.16  87.714% * 96.9037% (1.00  10.0 10.00   4.44 115.41) =  99.832%  kept
          HB2   ASP- 105 - HG2   MET   96   7.42 +/- 0.82   5.849% *  2.3749% (0.41   1.0  1.00   1.19   0.02) =   0.163%  kept
        T HB2   MET   96 - HB2   PRO   52  17.88 +/- 2.86   0.447% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  13.62 +/- 1.94   0.993% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.71 +/- 1.07   0.836% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  15.13 +/- 2.42   0.826% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  17.94 +/- 3.33   0.605% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.94 +/- 4.19   1.199% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  20.81 +/- 4.32   0.331% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  20.12 +/- 3.07   0.312% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.90 +/- 3.66   0.420% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  22.43 +/- 3.35   0.236% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  28.94 +/- 4.03   0.142% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  29.91 +/- 3.33   0.091% *  0.0207% (0.21   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 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG2   MET   96   2.76 +/- 0.26  91.860% * 99.3732% (1.00  10.0 10.00   4.44 115.41) =  99.997%  kept
        T HB3   MET   96 - HB2   PRO   52  17.36 +/- 3.09   0.473% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HG2   MET   96  13.13 +/- 2.42   1.237% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.52 +/- 0.77   5.506% *  0.0073% (0.07   1.0  1.00   0.02   1.92) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.23 +/- 3.63   0.240% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  30.43 +/- 4.66   0.112% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.34 +/- 2.87   0.247% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.27 +/- 3.65   0.190% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  30.39 +/- 3.54   0.081% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  37.52 +/- 6.09   0.053% *  0.0201% (0.20   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 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 = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  95.735% * 99.2819% (0.61  10.0 10.00   4.00 115.41) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96   8.96 +/- 3.61   1.842% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  62 - HB2   PRO   52  14.13 +/- 3.34   0.407% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  19.34 +/- 3.12   0.089% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  12.68 +/- 4.37   1.186% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  15.69 +/- 3.05   0.219% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  21.85 +/- 2.51   0.055% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  17.15 +/- 1.97   0.145% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  17.19 +/- 4.10   0.305% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.82 +/- 4.27   0.017% *  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 = 115.4:
    * O T HA    MET   96 - HG3   MET   96   3.11 +/- 0.52  96.776% * 99.9773% (0.59  10.0 10.00   4.44 115.41) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  12.20 +/- 2.81   3.224% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 0.606, support = 4.44, residual support = 115.2:
    * O T HB2   MET   96 - HG3   MET   96   2.59 +/- 0.29  91.880% * 97.0700% (0.61  10.0 10.00   4.44 115.41) =  99.854%  kept
          HB2   ASP- 105 - HG3   MET   96   8.13 +/- 1.19   4.918% *  2.6009% (0.25   1.0  1.00   1.30   0.02) =   0.143%  kept
          HB    VAL   70 - HG3   MET   96  13.56 +/- 2.29   0.853% *  0.0742% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  14.48 +/- 2.45   0.861% *  0.0628% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.74 +/- 1.09   0.695% *  0.0705% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  17.67 +/- 3.33   0.480% *  0.0667% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  20.21 +/- 4.51   0.313% *  0.0550% (0.34   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 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG3   MET   96   2.76 +/- 0.28  98.120% * 99.7402% (0.61  10.0 10.00   4.44 115.41) =  99.999%  kept
          HB2   LEU   40 - HG3   MET   96  13.16 +/- 2.56   1.254% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  22.94 +/- 3.20   0.222% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.52 +/- 2.74   0.304% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.03 +/- 4.20   0.100% *  0.0685% (0.42   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 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00  99.907% * 99.6261% (0.61  10.0 10.00   4.00 115.41) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.34 +/- 3.12   0.093% *  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 = 62.3:
    * O T HB2   PHE   97 - HA    PHE   97   2.85 +/- 0.23  84.634% * 99.7149% (1.00  10.0 10.00   2.89  62.30) =  99.989%  kept
          QE    LYS+ 106 - HA    PHE   97   7.74 +/- 0.89   5.218% *  0.0724% (0.73   1.0  1.00   0.02  11.54) =   0.004%
          HB3   TRP   27 - HA    PHE   97  13.45 +/- 3.52   2.450% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  99 - HA    PHE   97   7.70 +/- 0.86   5.168% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - HA    PHE   97  12.97 +/- 2.50   1.477% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  14.03 +/- 2.58   1.052% *  0.0197% (0.20   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 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HB3   PHE   97 - HA    PHE   97   2.69 +/- 0.27  96.306% * 99.7224% (0.95  10.0 10.00   3.44  62.30) =  99.997%  kept
          HB2   GLU- 100 - HA    PHE   97  11.18 +/- 0.67   1.510% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PHE   97  16.55 +/- 3.37   0.654% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  15.59 +/- 1.85   0.702% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  15.73 +/- 2.48   0.828% *  0.0185% (0.18   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 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.3:
    * O T HA    PHE   97 - HB2   PHE   97   2.85 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.30) = 100.000%  kept
    Distance limit 3.81 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 = 62.3:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.007% * 99.7224% (0.95  10.0 10.00   3.31  62.30) =  99.999%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.49 +/- 1.12   0.393% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  16.91 +/- 4.31   0.265% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.94 +/- 2.30   0.202% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  17.45 +/- 2.64   0.134% *  0.0185% (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 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HA    PHE   97 - HB3   PHE   97   2.69 +/- 0.27 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.30) = 100.000%  kept
    Distance limit 3.58 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 = 62.2:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  93.699% * 95.6025% (0.95  10.0 10.00   3.31  62.30) =  99.847%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.98 +/- 1.30   3.242% *  4.1936% (0.69   1.0  1.00   1.21  11.54) =   0.152%  kept
          HB3   TRP   27 - HB3   PHE   97  15.45 +/- 3.71   0.859% *  0.0954% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB3   PHE   97   7.39 +/- 1.11   1.595% *  0.0393% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   PHE   97  13.75 +/- 3.00   0.382% *  0.0503% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.48 +/- 2.95   0.222% *  0.0189% (0.19   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 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 = 77.1:
    * O T QB    LEU   98 - HA    LEU   98   2.24 +/- 0.11  90.529% * 99.2568% (0.87  10.0 10.00   4.97  77.08) =  99.994%  kept
          HD3   LYS+ 121 - HA    LEU   98  13.35 +/- 6.68   2.203% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LEU   98   8.55 +/- 3.01   2.533% *  0.0226% (0.20   1.0  1.00   0.02   0.42) =   0.001%
          QB    ALA   61 - HA    LEU   98  14.13 +/- 3.18   1.208% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.20 +/- 4.12   0.528% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  18.88 +/- 4.36   0.302% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.65 +/- 1.96   0.260% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.67 +/- 1.83   0.246% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  19.77 +/- 4.95   0.238% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.06 +/- 3.18   0.745% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  15.61 +/- 3.59   0.407% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.46 +/- 3.75   0.151% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  15.33 +/- 3.64   0.437% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  18.37 +/- 2.67   0.213% *  0.0226% (0.20   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 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.959, support = 4.88, residual support = 73.1:
    *   T QD1   LEU   98 - HA    LEU   98   2.92 +/- 0.48  51.490% * 93.4697% (1.00 10.00   4.91  77.08) =  94.053%  kept
          QD2   LEU  104 - HA    LEU   98   3.25 +/- 1.12  46.977% *  6.4767% (0.31  1.00   4.49  10.64) =   5.946%  kept
          QG2   ILE   19 - HA    LEU   98  13.84 +/- 2.87   0.736% *  0.0351% (0.38  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU   98  13.95 +/- 3.23   0.797% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.999, support = 4.17, residual support = 76.0:
    *   T QD2   LEU   98 - HA    LEU   98   3.88 +/- 0.24  65.109% * 93.3533% (1.00 10.00   4.23  77.08) =  98.104%  kept
          QG2   VAL   41 - HA    LEU   98   6.80 +/- 2.53  20.362% *  5.6748% (0.95  1.00   1.29  22.02) =   1.865%  kept
        T QD1   LEU   80 - HA    LEU   98  17.18 +/- 4.34   1.487% *  0.9335% (1.00 10.00   0.02   0.02) =   0.022%
          QD2   LEU   63 - HA    LEU   98  11.86 +/- 4.00  13.042% *  0.0384% (0.41  1.00   0.02   0.02) =   0.008%
    Distance limit 4.58 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 = 77.1:
    * O T HA    LEU   98 - QB    LEU   98   2.24 +/- 0.11 100.000% *100.0000% (0.87  10.0 10.00   4.97  77.08) = 100.000%  kept
    Distance limit 3.24 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 = 0.863, support = 3.93, residual support = 76.5:
    * O T QD1   LEU   98 - QB    LEU   98   2.09 +/- 0.13  84.533% * 94.4906% (0.87  10.0 10.00   3.93  77.08) =  99.187%  kept
          QD2   LEU  104 - QB    LEU   98   4.47 +/- 0.95  13.046% *  4.9678% (0.27   1.0  1.00   3.41  10.64) =   0.805%  kept
        T QG2   ILE   19 - QB    LEU   98  11.28 +/- 2.81   1.110% *  0.3546% (0.33   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   ILE   19 - QB    LEU   98  11.51 +/- 3.01   1.312% *  0.1870% (0.17   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.14 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 = 0.857, support = 3.06, residual support = 64.3:
    * O T QD2   LEU   98 - QB    LEU   98   2.02 +/- 0.08  74.154% * 51.1151% (0.87  10.0 10.00   3.28  77.08) =  76.822%  kept
        T QG2   VAL   41 - QB    LEU   98   4.74 +/- 2.37  23.644% * 48.3528% (0.82   1.0 10.00   2.35  22.02) =  23.171%  kept
        T QD1   LEU   80 - QB    LEU   98  14.20 +/- 4.16   0.580% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - QB    LEU   98  10.56 +/- 3.15   1.622% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.15 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 = 4.91, residual support = 77.1:
    *   T HA    LEU   98 - QD1   LEU   98   2.92 +/- 0.48 100.000% *100.0000% (1.00 10.00   4.91  77.08) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 77.1:
    * O T QB    LEU   98 - QD1   LEU   98   2.09 +/- 0.13  89.346% * 98.1517% (0.87  10.0 10.00   3.93  77.08) =  99.987%  kept
        T HG12  ILE   19 - QD1   LEU   98  13.51 +/- 3.56   0.654% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   80 - QD1   LEU   98  14.66 +/- 4.60   0.522% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QD1   LEU   98  12.81 +/- 5.24   0.941% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   98   7.78 +/- 2.56   3.331% *  0.0224% (0.20   1.0  1.00   0.02   0.42) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  13.17 +/- 2.33   0.616% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  13.99 +/- 4.14   0.548% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   LEU   98  12.12 +/- 2.11   0.709% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.87 +/- 1.86   0.399% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  11.04 +/- 2.84   1.264% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  13.06 +/- 3.47   0.644% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  17.90 +/- 3.15   0.208% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.38 +/- 2.72   0.542% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  15.44 +/- 1.99   0.276% *  0.0224% (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 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 = 2.62, residual support = 76.7:
    * O T QD2   LEU   98 - QD1   LEU   98   2.01 +/- 0.07  85.169% * 94.4698% (1.00  10.0 10.00   2.63  77.08) =  99.313%  kept
          QG2   VAL   41 - QD1   LEU   98   5.48 +/- 2.34  12.052% *  4.5467% (0.95   1.0  1.00   1.02  22.02) =   0.676%  kept
        T QD1   LEU   80 - QD1   LEU   98  12.83 +/- 4.03   0.859% *  0.9447% (1.00   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - QD1   LEU   98  10.49 +/- 3.20   1.920% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.46 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 = 4.23, residual support = 77.1:
    *   T HA    LEU   98 - QD2   LEU   98   3.88 +/- 0.24  97.785% * 99.4301% (1.00 10.00   4.23  77.08) =  99.987%  kept
        T HA    LEU   98 - QD1   LEU   80  17.18 +/- 4.34   2.215% *  0.5699% (0.57 10.00   0.02   0.02) =   0.013%
    Distance limit 4.53 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 = 0.706, support = 3.82, residual support = 80.5:
    * O T QB    LEU   98 - QD2   LEU   98   2.02 +/- 0.08  39.214% * 50.3539% (0.87  10.0 10.00   3.28  77.08) =  64.216%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.12 +/- 0.01  34.038% * 16.1964% (0.28  10.0  1.00   4.58  86.69) =  17.929%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.87 +/- 0.42  17.084% * 32.1120% (0.55  10.0 10.00   4.99  86.69) =  17.842%  kept
        T HB2   LEU   80 - QD2   LEU   98  13.23 +/- 4.12   0.316% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LEU   98 - QD1   LEU   80  14.20 +/- 4.16   0.301% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QD2   LEU   98   6.90 +/- 2.84   2.167% *  0.0115% (0.20   1.0  1.00   0.02   0.42) =   0.001%
          HB3   LYS+  74 - QD1   LEU   80  11.27 +/- 3.66   0.711% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   98  13.23 +/- 4.95   0.400% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   98  12.22 +/- 3.58   0.496% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  11.94 +/- 2.38   0.254% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  11.56 +/- 2.22   0.469% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  13.86 +/- 4.64   0.272% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   9.74 +/- 2.86   0.797% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  11.49 +/- 4.89   1.170% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  12.03 +/- 3.32   0.337% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  16.08 +/- 5.13   0.213% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.46 +/- 1.80   0.124% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.80 +/- 2.67   0.090% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.39 +/- 2.98   0.269% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.84 +/- 3.26   0.301% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  14.41 +/- 2.59   0.160% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  21.14 +/- 4.14   0.055% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  16.36 +/- 2.55   0.104% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  19.86 +/- 4.64   0.071% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  14.96 +/- 4.27   0.184% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  19.12 +/- 6.95   0.140% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  15.62 +/- 3.98   0.168% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.09 +/- 3.39   0.093% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 2.62, residual support = 76.7:
    * O T QD1   LEU   98 - QD2   LEU   98   2.01 +/- 0.07  89.281% * 89.4176% (1.00  10.0 10.00   2.63  77.08) =  99.402%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.72 +/- 0.81   4.823% *  9.8310% (0.31   1.0 10.00   0.71  10.64) =   0.590%  kept
        T QD1   LEU   98 - QD1   LEU   80  12.83 +/- 4.03   0.928% *  0.5125% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QG2   ILE   19 - QD2   LEU   98  10.17 +/- 2.62   1.362% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QD1   LEU   80  16.54 +/- 3.59   0.264% *  0.1582% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD1   LEU   80  12.38 +/- 4.78   1.284% *  0.0192% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.56 +/- 2.68   1.286% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  13.76 +/- 4.34   0.772% *  0.0101% (0.11   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 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 = 0.999, support = 6.43, residual support = 174.3:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.17 +/- 0.51  66.170% * 98.3850% (1.00  10.0 10.00   6.44 174.58) =  99.813%  kept
          QG2   THR   39 - HA    LYS+  99   7.77 +/- 4.23  22.700% *  0.4334% (0.65   1.0  1.00   0.14   0.02) =   0.151%  kept
        T HG3   LYS+  38 - HA    LYS+  99  11.37 +/- 5.98   4.484% *  0.3692% (0.38   1.0 10.00   0.02   0.02) =   0.025%
          HG    LEU   71 - HA    LYS+  99  11.98 +/- 5.06   2.940% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HG12  ILE   89 - HA    LYS+  99  17.47 +/- 2.66   0.499% *  0.4045% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HA    LYS+  99  14.92 +/- 4.39   1.587% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    LYS+  99  17.61 +/- 1.53   0.480% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  19.13 +/- 1.83   0.390% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  18.98 +/- 2.98   0.544% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  24.54 +/- 2.99   0.207% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.698, support = 5.93, residual support = 174.5:
      O T HB3   LYS+  99 - HA    LYS+  99   2.77 +/- 0.31  67.165% * 28.6795% (0.41  10.0 10.00   6.04 174.58) =  51.279%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   4.03 +/- 0.38  26.218% * 69.7607% (1.00   1.0 10.00   5.82 174.58) =  48.689%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.25 +/- 1.15   1.202% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.022%
        T QG1   ILE   56 - HA    LYS+  99  18.59 +/- 2.93   0.376% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  123 - HA    LYS+  99  20.10 +/- 5.78   0.341% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HA    LYS+  99   8.18 +/- 1.14   3.446% *  0.0155% (0.22   1.0  1.00   0.02   1.51) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  14.52 +/- 3.24   0.756% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+  99  22.16 +/- 2.08   0.189% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.90 +/- 3.49   0.127% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.51 +/- 1.93   0.181% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 7.02, residual support = 172.9:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.82 +/- 0.36  66.370% * 94.9967% (1.00  10.0 10.00   7.06 174.58) =  98.907%  kept
          HG    LEU   98 - HA    LYS+  99   5.43 +/- 1.25  18.552% *  3.6006% (0.22   1.0  1.00   3.40  18.27) =   1.048%  kept
        T HG2   LYS+  38 - HA    LYS+  99  11.14 +/- 5.54   2.197% *  0.9312% (0.98   1.0 10.00   0.02   0.02) =   0.032%
          HB2   LEU   31 - HA    LYS+  99  11.88 +/- 4.09   8.303% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          QB    ALA   88 - HA    LYS+  99  16.26 +/- 3.20   0.577% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  99  16.34 +/- 3.68   0.708% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+  99  14.82 +/- 1.50   0.557% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  18.08 +/- 6.60   0.789% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  21.07 +/- 4.36   0.282% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.55 +/- 3.47   1.051% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.34 +/- 1.62   0.445% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  24.24 +/- 3.23   0.168% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 172.7:
    *   T QE    LYS+  99 - HA    LYS+  99   3.93 +/- 0.46  67.315% * 91.7362% (1.00 10.00   5.44 174.58) =  98.941%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.61 +/- 0.83   8.030% *  7.3622% (0.69 10.00   0.23   1.51) =   0.947%  kept
        T QE    LYS+  38 - HA    LYS+  99  10.28 +/- 4.26   7.694% *  0.8227% (0.90 10.00   0.02   0.02) =   0.101%  kept
          HB2   PHE   97 - HA    LYS+  99   7.58 +/- 0.68  10.941% *  0.0377% (0.41  1.00   0.02   0.02) =   0.007%
          HB3   TRP   27 - HA    LYS+  99  14.52 +/- 3.94   6.020% *  0.0411% (0.45  1.00   0.02   0.02) =   0.004%
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.98, residual support = 174.1:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.62 +/- 0.29  80.502% * 98.0431% (1.00  10.0 10.00   7.00 174.58) =  99.700%  kept
          HA    LEU   40 - HB2   LYS+  99   6.69 +/- 5.28  15.271% *  1.5365% (0.25   1.0  1.00   1.26   9.41) =   0.296%  kept
          HA    ASN   35 - HB2   LYS+  99  12.46 +/- 4.91   1.568% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LYS+  99  18.55 +/- 6.90   0.602% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LYS+  99  21.77 +/- 2.38   0.193% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.55 +/- 3.62   0.166% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.70 +/- 3.91   0.445% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.50 +/- 5.25   0.682% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  20.08 +/- 3.64   0.277% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.13 +/- 5.79   0.293% *  0.0133% (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 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 = 0.999, support = 6.42, residual support = 174.4:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.70 +/- 0.29  84.832% * 97.9520% (1.00  10.0 10.00   6.42 174.58) =  99.888%  kept
          QG2   THR   39 - HB2   LYS+  99   8.81 +/- 4.13   9.258% *  0.8717% (0.65   1.0  1.00   0.28   0.02) =   0.097%
        T HG3   LYS+  38 - HB2   LYS+  99  12.15 +/- 5.75   2.143% *  0.3676% (0.38   1.0 10.00   0.02   0.02) =   0.009%
        T HG12  ILE   89 - HB2   LYS+  99  17.72 +/- 2.79   0.450% *  0.4027% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB2   LYS+  99  12.83 +/- 4.99   1.415% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HB2   LYS+  99  16.14 +/- 4.58   0.759% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  18.40 +/- 1.72   0.297% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.03 +/- 1.80   0.282% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  18.45 +/- 3.23   0.388% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.50 +/- 3.41   0.176% *  0.0334% (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 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.696, support = 5.22, residual support = 174.6:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  70.796% * 29.0322% (0.41  10.0   4.78 174.58) =  51.603%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.55 +/- 0.40  27.296% * 70.6187% (1.00  10.0   5.69 174.58) =  48.396%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.59 +/- 1.10   0.367% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   8.07 +/- 1.36   1.004% *  0.0157% (0.22   1.0   0.02   1.51) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  15.71 +/- 3.06   0.154% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  18.03 +/- 3.22   0.114% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  18.64 +/- 6.13   0.124% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.83 +/- 3.95   0.058% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.10 +/- 1.99   0.041% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.25 +/- 2.00   0.045% *  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 = 0.997, support = 7.01, residual support = 173.9:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.85 +/- 0.22  78.510% * 96.1370% (1.00  10.0   7.03 174.58) =  99.582%  kept
          HG    LEU   98 - HB2   LYS+  99   6.35 +/- 0.90   9.409% *  3.2916% (0.22   1.0   3.08  18.27) =   0.409%  kept
          HB2   LEU   31 - HB2   LYS+  99  13.36 +/- 3.94   3.452% *  0.0803% (0.84   1.0   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HB2   LYS+  99  12.05 +/- 5.31   1.889% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB2   LYS+  99  16.15 +/- 3.96   1.808% *  0.0544% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+  99  16.33 +/- 3.35   0.817% *  0.0698% (0.73   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  99  16.91 +/- 6.85   0.983% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.12 +/- 1.67   0.618% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  23.17 +/- 3.70   0.257% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  17.97 +/- 3.54   1.443% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  22.01 +/- 4.17   0.287% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  16.67 +/- 1.85   0.527% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.999, support = 5.21, residual support = 174.3:
    *     QE    LYS+  99 - HB2   LYS+  99   3.06 +/- 0.60  76.146% * 97.9631% (1.00   5.21 174.58) =  99.849%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.61 +/- 1.09   5.711% *  1.3769% (0.69   0.11   1.51) =   0.105%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.48 +/- 0.99  13.195% *  0.1545% (0.41   0.02   0.02) =   0.027%
          QE    LYS+  38 - HB2   LYS+  99  10.88 +/- 4.12   3.170% *  0.3370% (0.90   0.02   0.02) =   0.014%
          HB3   TRP   27 - HB2   LYS+  99  15.79 +/- 4.09   1.778% *  0.1685% (0.45   0.02   0.02) =   0.004%
    Distance limit 4.40 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 = 0.999, support = 6.43, residual support = 174.3:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.17 +/- 0.51  43.133% * 97.6242% (1.00  10.0 10.00   6.44 174.58) =  99.836%  kept
          HA    LEU   40 - HG3   LYS+  99   6.93 +/- 5.56  17.947% *  0.3157% (0.25   1.0  1.00   0.26   9.41) =   0.134%  kept
          HA    ASN   35 - HG3   LYS+  99  11.66 +/- 5.37   3.483% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  99 - HG3   LYS+  38  11.37 +/- 5.98   2.800% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASN   35 - HG3   LYS+  38   5.25 +/- 1.36  19.776% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - HG12  ILE   89  17.47 +/- 2.66   0.337% *  0.3959% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ILE   56 - HG3   LYS+  99  24.18 +/- 3.56   0.138% *  0.9235% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   LYS+  99  19.45 +/- 7.23   0.542% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG12  ILE   89  17.30 +/- 3.83   0.538% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.42 +/- 3.17   0.459% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.08 +/- 5.56   1.253% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.60 +/- 2.18   0.149% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.87 +/- 4.33   0.124% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.22 +/- 3.67   0.399% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.22 +/- 0.80   2.975% *  0.0025% (0.03   1.0  1.00   0.02   0.76) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.39 +/- 6.18   0.537% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  23.31 +/- 2.54   0.154% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  23.32 +/- 2.76   0.134% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  16.30 +/- 2.43   0.437% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  21.39 +/- 3.57   0.279% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  17.90 +/- 3.21   0.534% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  18.13 +/- 1.84   0.289% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  22.40 +/- 5.02   0.231% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  14.13 +/- 3.83   1.333% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  17.06 +/- 5.23   1.231% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.07 +/- 3.11   0.077% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  24.23 +/- 2.64   0.116% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  22.86 +/- 2.88   0.218% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.58 +/- 3.95   0.313% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.02 +/- 2.44   0.065% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 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 = 0.932, support = 4.74, residual support = 177.8:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.72 +/- 0.51  46.808% * 89.0505% (1.00  10.0 10.00   4.77 174.58) =  92.459%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.89 +/- 0.49  40.344% *  8.3338% (0.09  10.0 10.00   4.41 219.92) =   7.458%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   9.12 +/- 1.43   2.638% *  0.6117% (0.69   1.0 10.00   0.02   1.51) =   0.036%
        T QE    LYS+  38 - HG3   LYS+  99  10.03 +/- 4.51   1.833% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.032%
        T QE    LYS+  99 - HG3   LYS+  38  10.05 +/- 5.37   2.617% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+ 102 - HG12  ILE   89  16.29 +/- 3.90   0.478% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG12  ILE   89  17.75 +/- 2.82   0.252% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   8.62 +/- 0.97   1.693% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  38  15.47 +/- 6.22   0.868% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  21.90 +/- 2.74   0.135% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG3   LYS+  99  16.49 +/- 3.84   0.725% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG12  ILE   89  12.91 +/- 2.75   0.679% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  15.35 +/- 3.42   0.420% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.84 +/- 2.06   0.255% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.59 +/- 3.67   0.256% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.997, support = 5.8, residual support = 174.1:
    *   T HA    LYS+  99 - QD    LYS+  99   4.03 +/- 0.38  47.745% * 95.3573% (1.00 10.00   5.82 174.58) =  99.714%  kept
          HA    LEU   40 - QD    LYS+  99   7.15 +/- 4.71  19.476% *  0.3084% (0.25  1.00   0.26   9.41) =   0.132%  kept
        T HA    LYS+  99 - QD    LYS+ 106  11.25 +/- 1.15   2.734% *  0.7678% (0.81 10.00   0.02   0.02) =   0.046%
        T HA    LEU  123 - QD    LYS+  99  16.81 +/- 7.21   2.426% *  0.8272% (0.87 10.00   0.02   0.02) =   0.044%
          HA    ASN   35 - QD    LYS+  99  11.29 +/- 4.84  10.704% *  0.0920% (0.97  1.00   0.02   0.02) =   0.022%
        T HA    ILE   56 - QD    LYS+ 106  16.96 +/- 3.13   0.863% *  0.7263% (0.76 10.00   0.02   0.02) =   0.014%
        T HA    LEU  123 - QD    LYS+ 106  17.76 +/- 3.70   0.766% *  0.6660% (0.70 10.00   0.02   0.02) =   0.011%
        T HA    ILE   56 - QD    LYS+  99  21.58 +/- 3.63   0.418% *  0.9020% (0.95 10.00   0.02   0.02) =   0.008%
          HA    ASP- 113 - QD    LYS+ 106  14.04 +/- 2.12   3.096% *  0.0641% (0.67  1.00   0.02   0.02) =   0.004%
          HA    ASN   35 - QD    LYS+ 106  18.66 +/- 3.24   0.595% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  20.69 +/- 2.23   0.486% *  0.0796% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.40 +/- 3.01   1.749% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD    LYS+  99  15.98 +/- 4.85   2.268% *  0.0129% (0.14  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  14.59 +/- 2.83   1.522% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QD    LYS+  99  19.73 +/- 5.68   2.113% *  0.0129% (0.14  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  17.11 +/- 3.83   0.934% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.14 +/- 3.72   0.727% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.26 +/- 2.75   0.808% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  22.04 +/- 3.02   0.360% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.47 +/- 3.27   0.211% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.84, residual support = 174.5:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.33 +/- 0.14  71.147% * 97.4178% (1.00  10.0  1.00   5.84 174.58) =  99.969%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  13.09 +/- 2.99   0.993% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.010%
          QB    ALA   88 - QD    LYS+ 106   8.50 +/- 3.70  10.707% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  38 - QD    LYS+  99  10.59 +/- 5.18   1.652% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  99  22.11 +/- 3.63   0.142% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    LYS+  99  13.20 +/- 3.33   1.093% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.01 +/- 2.05   3.707% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+  99   7.84 +/- 0.78   2.069% *  0.0217% (0.22   1.0  1.00   0.02  18.27) =   0.001%
          HB2   LEU   63 - QD    LYS+  99  15.84 +/- 3.95   0.745% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.61 +/- 1.05   0.506% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    LYS+  99  16.22 +/- 3.48   0.514% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  99  14.93 +/- 7.18   1.061% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.77 +/- 2.26   0.860% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  14.62 +/- 3.02   0.559% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.51 +/- 3.95   0.334% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.44 +/- 1.71   0.798% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.26 +/- 3.52   0.309% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.87 +/- 3.34   0.178% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.43 +/- 1.65   0.282% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  17.82 +/- 3.55   0.796% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.50 +/- 2.91   0.875% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.57 +/- 1.94   0.281% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  21.71 +/- 4.04   0.138% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  16.98 +/- 3.54   0.254% *  0.0242% (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 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.27, residual support = 174.5:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.36 +/- 0.15  81.838% * 94.6730% (1.00  10.0 10.00   5.27 174.58) =  99.946%  kept
        T HG3   LYS+  38 - QD    LYS+  99  10.52 +/- 5.61   3.239% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.015%
        T HG12  ILE   89 - QD    LYS+ 106   9.58 +/- 2.95   2.981% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  99 - QD    LYS+ 106  12.40 +/- 1.07   0.623% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 111 - QD    LYS+ 106  13.11 +/- 3.07   1.165% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - QD    LYS+  99   8.33 +/- 3.73   3.704% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+ 106  16.80 +/- 2.07   0.287% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  99  18.11 +/- 1.74   0.197% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QD    LYS+  99  17.94 +/- 2.92   0.397% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   ILE   56 - QD    LYS+ 106  13.20 +/- 2.68   0.643% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  99  12.11 +/- 4.51   1.069% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106  10.54 +/- 2.01   1.236% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  17.72 +/- 3.15   0.283% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.08 +/- 3.58   0.189% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  22.44 +/- 3.39   0.139% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  15.45 +/- 3.68   0.472% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+ 106  13.74 +/- 3.16   0.690% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  17.04 +/- 3.92   0.402% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.91 +/- 3.01   0.213% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.63 +/- 2.06   0.233% *  0.0612% (0.65   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 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.45, residual support = 174.2:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  85.082% * 93.7394% (1.00  10.0 10.00   4.45 174.58) =  99.783%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.29 +/- 1.10   4.754% *  2.7116% (0.33   1.0  1.00   1.75  11.54) =   0.161%  kept
        T QE    LYS+  38 - QD    LYS+  99   9.50 +/- 4.01   1.857% *  0.8407% (0.90   1.0 10.00   0.02   0.02) =   0.020%
        T QE    LYS+ 102 - QD    LYS+  99   8.44 +/- 1.58   2.064% *  0.6439% (0.69   1.0 10.00   0.02   1.51) =   0.017%
        T QE    LYS+ 102 - QD    LYS+ 106   9.19 +/- 2.07   1.492% *  0.5184% (0.55   1.0 10.00   0.02   0.02) =   0.010%
        T QE    LYS+  99 - QD    LYS+ 106  11.29 +/- 1.10   0.605% *  0.7547% (0.81   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  38 - QD    LYS+ 106  16.91 +/- 2.71   0.211% *  0.6769% (0.72   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.53 +/- 1.13   3.268% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    LYS+  99  15.79 +/- 3.20   0.424% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.39 +/- 3.08   0.245% *  0.0338% (0.36   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 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.982, support = 5.32, residual support = 169.8:
    *   T HA    LYS+  99 - QE    LYS+  99   3.93 +/- 0.46  25.324% * 89.6776% (1.00 10.00   5.44 174.58) =  97.162%  kept
          HA    LEU   40 - QE    LYS+  99   6.16 +/- 4.71  22.174% *  1.9032% (0.25  1.00   1.70   9.41) =   1.806%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.61 +/- 0.83   2.788% *  7.1453% (0.68 10.00   0.23   1.51) =   0.852%  kept
          HA    LEU   40 - QE    LYS+  38   7.47 +/- 1.86   9.711% *  0.2661% (0.07  1.00   0.88   0.76) =   0.111%  kept
        T HA    LYS+  99 - QE    LYS+  38  10.28 +/- 4.26   2.827% *  0.2419% (0.27 10.00   0.02   0.02) =   0.029%
          HA    ASN   35 - QE    LYS+  38   5.57 +/- 1.68  15.585% *  0.0233% (0.26  1.00   0.02   0.02) =   0.016%
          HA    ASN   35 - QE    LYS+  99  10.82 +/- 4.33   2.139% *  0.0865% (0.97  1.00   0.02   0.02) =   0.008%
          HA    ASN   35 - QE    LYS+ 102  15.02 +/- 5.80   1.782% *  0.0590% (0.66  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - QE    LYS+  99  16.10 +/- 7.00   1.100% *  0.0778% (0.87  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - QE    LYS+  99  20.99 +/- 3.47   0.285% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QE    LYS+  99  16.34 +/- 3.76   1.074% *  0.0224% (0.25  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  38  12.98 +/- 4.21   5.970% *  0.0033% (0.04  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QE    LYS+ 102  12.64 +/- 4.02   1.266% *  0.0152% (0.17  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  99  14.98 +/- 4.72   1.392% *  0.0121% (0.14  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  20.44 +/- 2.29   0.214% *  0.0749% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+ 102  21.98 +/- 5.06   0.256% *  0.0531% (0.59  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QE    LYS+  99  18.84 +/- 5.30   1.042% *  0.0121% (0.14  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QE    LYS+  99  18.30 +/- 3.68   0.815% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.38 +/- 2.52   0.174% *  0.0511% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  24.25 +/- 3.15   0.138% *  0.0579% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.89 +/- 4.78   0.320% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  19.96 +/- 4.30   0.251% *  0.0210% (0.23  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  15.69 +/- 4.94   1.483% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  20.72 +/- 2.83   0.251% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.32 +/- 3.87   0.430% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  25.84 +/- 3.58   0.112% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.51 +/- 4.36   0.246% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  21.91 +/- 4.64   0.536% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  22.82 +/- 3.31   0.179% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.35 +/- 4.69   0.137% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.539, support = 4.64, residual support = 174.5:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  63.908% * 59.3940% (0.41  10.0 10.00   4.45 174.58) =  78.151%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.14 +/- 0.71  27.668% * 38.2903% (1.00   1.0  1.00   5.30 174.58) =  21.812%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.44 +/- 1.58   1.510% *  0.4051% (0.28   1.0 10.00   0.02   1.51) =   0.013%
        T QD    LYS+ 106 - QE    LYS+ 102   9.19 +/- 2.07   1.088% *  0.3698% (0.26   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 106 - QE    LYS+  99  11.29 +/- 1.10   0.446% *  0.5422% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  99 - QE    LYS+  38   9.50 +/- 4.01   1.375% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LYS+  99 - QE    LYS+ 102   8.32 +/- 1.25   1.395% *  0.0985% (0.68   1.0  1.00   0.02   1.51) =   0.003%
          HB3   LYS+  99 - QE    LYS+  38  11.10 +/- 4.39   0.730% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  17.00 +/- 3.02   0.200% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QE    LYS+  99  18.46 +/- 2.95   0.244% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  38  16.91 +/- 2.71   0.159% *  0.1463% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.80 +/- 4.29   0.269% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  19.73 +/- 2.64   0.094% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.62 +/- 4.26   0.206% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.91 +/- 2.22   0.205% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.85 +/- 3.45   0.242% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  22.66 +/- 3.06   0.064% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.05 +/- 2.79   0.197% *  0.0087% (0.06   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.923, support = 4.72, residual support = 176.7:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.72 +/- 0.51  39.104% * 83.9088% (1.00  10.0 10.00   4.77 174.58) =  91.186%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.89 +/- 0.49  33.465% *  8.4960% (0.10  10.0 10.00   4.41 219.92) =   7.901%  kept
          QG2   THR   39 - QE    LYS+  38   6.20 +/- 1.37   7.491% *  2.5688% (0.17   1.0  1.00   3.51  23.80) =   0.535%  kept
          QG2   THR   39 - QE    LYS+  99   7.41 +/- 3.75   4.614% *  2.3089% (0.65   1.0  1.00   0.85   0.02) =   0.296%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   9.12 +/- 1.43   2.191% *  0.5722% (0.68   1.0 10.00   0.02   1.51) =   0.035%
        T HG3   LYS+  38 - QE    LYS+  99  10.05 +/- 5.37   2.190% *  0.3149% (0.38   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   LYS+  99 - QE    LYS+  38  10.03 +/- 4.51   1.515% *  0.2264% (0.27   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+  38 - QE    LYS+ 102  15.47 +/- 6.22   0.710% *  0.2148% (0.26   1.0 10.00   0.02   0.02) =   0.004%
        T HG12  ILE   89 - QE    LYS+ 102  16.29 +/- 3.90   0.399% *  0.2353% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QE    LYS+  99  11.05 +/- 4.54   1.011% *  0.0832% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  99  17.75 +/- 2.82   0.210% *  0.3450% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QE    LYS+ 102  12.82 +/- 3.88   1.845% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  38  10.72 +/- 3.13   1.549% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  99  14.47 +/- 3.61   0.379% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  17.38 +/- 1.78   0.165% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.39 +/- 2.76   0.235% *  0.0571% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  19.57 +/- 4.12   0.218% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  14.38 +/- 3.71   0.549% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  17.73 +/- 3.75   0.182% *  0.0567% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  21.90 +/- 2.74   0.109% *  0.0931% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.55 +/- 2.21   0.141% *  0.0543% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.50 +/- 2.65   0.192% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  17.30 +/- 2.99   0.222% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  22.47 +/- 3.21   0.140% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  19.42 +/- 2.74   0.159% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.22 +/- 3.89   0.182% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.52 +/- 4.06   0.541% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  19.77 +/- 2.44   0.140% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  22.10 +/- 2.85   0.098% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  28.42 +/- 3.75   0.053% *  0.0077% (0.09   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 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 = 75.5:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.76 +/- 0.24  75.547% * 99.1823% (1.00  10.0 10.00   4.26  75.52) =  99.985%  kept
        T HB2   GLU- 100 - HA    LYS+  38   9.95 +/- 7.19  11.830% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          QG    GLN   32 - HA    GLU- 100  12.80 +/- 5.02   7.107% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HA    GLU- 100  11.28 +/- 0.62   1.171% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  25.18 +/- 3.36   0.130% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  20.47 +/- 3.57   0.405% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.44 +/- 1.98   0.111% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  24.21 +/- 3.33   0.185% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.05 +/- 0.87   2.620% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  14.83 +/- 3.46   0.607% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.16 +/- 2.69   0.110% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.93 +/- 2.84   0.177% *  0.0034% (0.03   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.61 +/- 0.28  72.513% * 99.2716% (1.00  10.0 10.00   4.26  75.52) =  99.983%  kept
        T HB3   GLU- 100 - HA    LYS+  38   9.88 +/- 7.38  15.736% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.013%
          HB2   GLN   30 - HA    GLU- 100  13.99 +/- 4.13   0.828% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU- 100  15.04 +/- 3.67   0.579% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLU- 100  19.16 +/- 5.43   2.118% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU- 100  15.32 +/- 4.92   0.961% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  19.71 +/- 5.29   0.297% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  23.33 +/- 3.71   0.150% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.42 +/- 0.80   0.163% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.11 +/- 1.15   1.086% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  29.88 +/- 4.15   0.080% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.22 +/- 1.63   1.092% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.19 +/- 1.68   0.117% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  10.35 +/- 2.82   2.595% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  27.39 +/- 2.99   0.077% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.36 +/- 2.68   0.442% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  30.02 +/- 5.94   0.273% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.96 +/- 2.80   0.154% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  15.80 +/- 2.89   0.471% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  24.30 +/- 2.74   0.106% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.39 +/- 1.89   0.100% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  29.49 +/- 3.03   0.061% *  0.0017% (0.02   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 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.5:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.85 +/- 0.53  63.160% * 99.4988% (1.00  10.0 10.00   4.72  75.52) =  99.974%  kept
        T HG2   GLU- 100 - HA    LYS+  38   8.73 +/- 7.11  21.360% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.020%
          QG    GLN   17 - HA    GLU- 100  17.12 +/- 5.05   5.321% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLU- 100  13.27 +/- 0.69   0.806% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.61 +/- 0.87   0.585% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU- 100  17.14 +/- 4.39   0.723% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.11 +/- 4.48   0.829% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  22.08 +/- 2.46   0.191% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.63 +/- 3.46   0.349% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.54 +/- 5.29   0.744% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.45 +/- 1.98   2.152% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  13.76 +/- 2.44   1.777% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.83 +/- 3.04   0.373% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  16.57 +/- 2.33   0.429% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.27 +/- 0.78   0.632% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  22.93 +/- 1.53   0.174% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  28.12 +/- 3.38   0.129% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.41 +/- 0.93   0.268% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.76 +/- 0.24  86.118% * 98.6741% (1.00  10.0 10.00   4.26  75.52) =  99.964%  kept
        T HA    LYS+  38 - HB2   GLU- 100   9.95 +/- 7.19  13.431% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.035%
        T HD2   PRO   58 - HB2   GLU- 100  26.93 +/- 3.04   0.112% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB2   GLU- 100  23.20 +/- 4.96   0.234% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.36 +/- 2.62   0.106% *  0.0406% (0.41   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 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 = 75.5:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  98.331% * 99.3690% (1.00  10.0 10.00   2.00  75.52) =  99.999%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.67 +/- 3.69   0.229% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.69 +/- 3.21   0.154% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.24 +/- 5.38   0.561% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  20.31 +/- 5.55   0.393% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  20.31 +/- 5.59   0.113% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.67 +/- 1.15   0.062% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  23.41 +/- 3.92   0.052% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  30.38 +/- 4.45   0.031% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.92 +/- 1.83   0.042% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  27.46 +/- 3.22   0.030% *  0.0276% (0.28   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 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.00 +/- 0.04  92.842% * 99.5837% (1.00  10.0 10.00   3.24  75.52) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  14.48 +/- 1.28   0.895% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.19 +/- 0.97   0.916% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HB2   GLU- 100  18.11 +/- 5.11   2.557% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HB2   GLU- 100  15.81 +/- 4.69   1.061% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.86 +/- 3.91   0.619% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  23.41 +/- 2.58   0.229% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.28 +/- 4.88   0.649% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.42 +/- 3.39   0.233% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.61 +/- 0.28  81.905% * 99.5406% (1.00  10.0 10.00   4.26  75.52) =  99.951%  kept
        T HA    LYS+  38 - HB3   GLU- 100   9.88 +/- 7.38  17.753% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.048%
          HA    VAL   83 - HB3   GLU- 100  23.33 +/- 4.90   0.177% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  27.49 +/- 2.72   0.087% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  27.86 +/- 2.16   0.078% *  0.0409% (0.41   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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  88.017% * 99.6840% (1.00  10.0 10.00   2.00  75.52) =  99.996%  kept
          QG    GLN   32 - HB3   GLU- 100  13.64 +/- 5.31  11.548% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   97 - HB3   GLU- 100  11.94 +/- 0.93   0.300% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  21.92 +/- 3.70   0.072% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.11 +/- 2.12   0.028% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  26.06 +/- 3.43   0.034% *  0.0447% (0.45   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 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 = 75.5:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.67 +/- 0.15  92.329% * 99.0882% (1.00  10.0 10.00   3.24  75.52) =  99.985%  kept
        T QG    GLN   17 - HB3   GLU- 100  18.35 +/- 5.25   4.190% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.011%
        T HB    VAL   70 - HB3   GLU- 100  16.30 +/- 4.61   0.622% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HB3   GLU- 100  15.03 +/- 1.26   0.600% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.54 +/- 0.97   0.614% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  18.57 +/- 4.35   0.637% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  23.62 +/- 2.56   0.161% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.03 +/- 5.27   0.671% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  27.77 +/- 3.30   0.177% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.5:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.85 +/- 0.53  74.435% * 99.5406% (1.00  10.0 10.00   4.72  75.52) =  99.925%  kept
        T HA    LYS+  38 - HG2   GLU- 100   8.73 +/- 7.11  25.061% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.075%
          HA    VAL   83 - HG2   GLU- 100  23.34 +/- 4.35   0.192% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  26.75 +/- 3.32   0.177% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.39 +/- 2.50   0.135% *  0.0409% (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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.00 +/- 0.04  90.333% * 99.6840% (1.00  10.0 10.00   3.24  75.52) =  99.995%  kept
          QG    GLN   32 - HG2   GLU- 100  13.31 +/- 4.77   7.019% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG2   GLU- 100  11.43 +/- 1.50   1.902% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HG2   GLU- 100  21.77 +/- 3.33   0.361% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.54 +/- 2.33   0.161% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  25.26 +/- 3.90   0.224% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.67 +/- 0.15  93.017% * 98.4783% (1.00  10.0 10.00   3.24  75.52) =  99.985%  kept
        T QB    GLU-  15 - HG2   GLU- 100  15.34 +/- 5.23   1.739% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   68 - HG2   GLU- 100  19.74 +/- 5.78   0.656% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HG2   GLU- 100  19.60 +/- 5.50   1.348% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - HG2   GLU- 100  14.82 +/- 4.09   1.658% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HG2   GLU- 100  15.91 +/- 3.64   0.837% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   GLU- 100  23.30 +/- 3.94   0.181% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.14 +/- 1.40   0.204% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  30.43 +/- 4.48   0.111% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  23.99 +/- 1.89   0.144% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.72 +/- 3.28   0.104% *  0.0274% (0.28   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 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  99.897% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  21.06 +/- 3.73   0.103% *  0.0375% (0.38   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 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  98.633% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ALA   34 - HA2   GLY  101  13.20 +/- 5.25   0.685% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HA2   GLY  101  15.76 +/- 5.03   0.304% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.69 +/- 5.42   0.190% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.82 +/- 2.03   0.055% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  24.08 +/- 1.83   0.040% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  24.92 +/- 7.39   0.066% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.27 +/- 3.68   0.027% *  0.0277% (0.28   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 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 = 0.989, support = 6.31, residual support = 158.0:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.42 +/- 0.11  83.168% * 90.1260% (1.00  10.0 10.00   6.31 160.24) =  98.392%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.84 +/- 0.71  13.455% *  9.0432% (0.34   1.0  1.00   5.88  23.36) =   1.597%  kept
        T HB    VAL   41 - HA    LYS+ 102  10.63 +/- 3.18   1.590% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   71 - HA    LYS+ 102  16.31 +/- 4.01   0.386% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  22.05 +/- 4.51   0.542% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  20.19 +/- 3.48   0.353% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  19.65 +/- 2.47   0.191% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.90 +/- 1.68   0.120% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  23.32 +/- 4.62   0.132% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  27.31 +/- 3.12   0.065% *  0.0139% (0.15   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 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.2:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   2.86 +/- 0.52  89.493% * 99.3298% (1.00  10.0 10.00   5.75 160.24) =  99.992%  kept
          HG    LEU   73 - HA    LYS+ 102  16.31 +/- 4.04   2.713% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   40 - HA    LYS+ 102  12.64 +/- 3.95   1.671% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    LYS+ 102  20.68 +/- 3.05   1.128% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  19.23 +/- 3.85   0.751% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 102  17.46 +/- 3.26   0.726% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  19.31 +/- 3.14   0.543% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.96 +/- 1.73   0.345% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.24 +/- 4.25   0.848% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  21.71 +/- 6.07   0.482% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  18.21 +/- 3.73   0.538% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.02 +/- 1.72   0.380% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.02 +/- 1.74   0.382% *  0.0248% (0.25   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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.992, support = 5.01, residual support = 158.5:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.99 +/- 0.77  57.965% * 94.3762% (1.00  10.0 10.00   5.05 160.24) =  98.868%  kept
          QB    LEU   98 - HA    LYS+ 102   4.68 +/- 0.97  24.180% *  2.4420% (0.34   1.0  1.00   1.52   1.93) =   1.067%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.56 +/- 0.83   2.470% *  0.8928% (0.95   1.0 10.00   0.02   0.02) =   0.040%
        T HG3   LYS+  33 - HA    LYS+ 102  17.29 +/- 4.49   0.688% *  0.8928% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   98 - HA    LYS+ 102   6.33 +/- 1.07  10.375% *  0.0262% (0.28   1.0  1.00   0.02   1.93) =   0.005%
        T HG3   LYS+  65 - HA    LYS+ 102  22.30 +/- 2.29   0.272% *  0.9251% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL   42 - HA    LYS+ 102  12.93 +/- 2.41   1.124% *  0.0925% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+ 102  17.21 +/- 3.63   0.574% *  0.0942% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 102  17.00 +/- 4.07   1.083% *  0.0354% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+ 102  23.85 +/- 2.69   0.147% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  23.16 +/- 4.34   0.207% *  0.0572% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.94 +/- 1.44   0.252% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  20.66 +/- 5.77   0.375% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.97 +/- 2.92   0.288% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 160.2:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.37 +/- 0.77  75.275% * 98.2489% (1.00 10.00   5.05 160.24) =  99.980%  kept
        T HD2   LYS+ 111 - HA    LYS+ 102  24.49 +/- 3.78   0.477% *  0.6749% (0.69 10.00   0.02   0.02) =   0.004%
          QD    LYS+  38 - HA    LYS+ 102  13.47 +/- 5.20   3.645% *  0.0787% (0.80  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HA    LYS+ 102  21.32 +/- 2.26   0.444% *  0.5562% (0.57 10.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - HA    LYS+ 102   7.83 +/- 1.02   9.220% *  0.0219% (0.22  1.00   0.02   1.51) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 102   9.33 +/- 1.54   6.014% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 102  17.61 +/- 3.73   1.743% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 102  17.81 +/- 5.62   1.141% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 102  19.37 +/- 5.74   0.922% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  22.68 +/- 5.05   0.456% *  0.0907% (0.92  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 102  22.27 +/- 1.70   0.351% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  22.41 +/- 1.92   0.311% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 160.1:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.45 +/- 0.36  86.764% * 98.4155% (1.00 10.00   5.05 160.24) =  99.880%  kept
        T QE    LYS+  38 - HA    LYS+ 102  13.61 +/- 4.57   5.804% *  0.9085% (0.92 10.00   0.02   0.02) =   0.062%
        T QE    LYS+  99 - HA    LYS+ 102   8.69 +/- 0.96   7.431% *  0.6760% (0.69 10.00   0.02   1.51) =   0.059%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 160.2:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.42 +/- 0.11  93.389% * 99.1785% (1.00  10.0 10.00   6.31 160.24) =  99.989%  kept
        T HA    LYS+ 102 - HB    VAL   41  10.63 +/- 3.18   1.788% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.009%
          HA    CYS   21 - QB    LYS+ 102  19.34 +/- 4.23   1.047% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB    VAL   41  12.31 +/- 3.80   1.415% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB    VAL   41  12.26 +/- 2.67   1.105% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.46 +/- 4.27   0.151% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.08 +/- 0.94   0.196% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.48 +/- 2.95   0.344% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.17 +/- 3.38   0.151% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  21.18 +/- 2.46   0.162% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  24.10 +/- 2.10   0.110% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.53 +/- 1.65   0.141% *  0.0200% (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 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 = 0.995, support = 5.29, residual support = 159.2:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.14  63.300% * 89.6892% (1.00  10.0 10.00   5.31 160.24) =  99.290%  kept
          HG    LEU   40 - HB    VAL   41   6.30 +/- 0.82   4.246% *  6.1171% (0.36   1.0  1.00   3.79  20.66) =   0.454%  kept
          HG    LEU   73 - HB    VAL   41   7.88 +/- 3.57  10.767% *  0.9339% (0.44   1.0  1.00   0.47   0.02) =   0.176%  kept
          HG12  ILE   19 - HB    VAL   41  10.12 +/- 4.24  12.301% *  0.2431% (0.11   1.0  1.00   0.48   0.02) =   0.052%
        T HG    LEU   67 - HB    VAL   41  11.42 +/- 2.91   1.415% *  0.2768% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T QG    LYS+  66 - QB    LYS+ 102  19.10 +/- 3.07   0.462% *  0.7780% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+ 102 - HB    VAL   41  12.67 +/- 3.37   0.690% *  0.4030% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   67 - QB    LYS+ 102  17.96 +/- 3.51   0.272% *  0.6161% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - HB    VAL   41  14.48 +/- 2.01   0.371% *  0.3496% (0.39   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QB    LYS+ 102  12.02 +/- 3.85   0.793% *  0.0718% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+ 102  16.02 +/- 3.70   0.440% *  0.0879% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HB    VAL   41  11.43 +/- 2.38   0.939% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  16.21 +/- 3.15   0.366% *  0.0472% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  12.23 +/- 2.12   0.775% *  0.0212% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  18.11 +/- 2.95   0.216% *  0.0616% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.11 +/- 1.71   0.166% *  0.0718% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  16.07 +/- 3.89   0.398% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  17.70 +/- 6.61   0.600% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.46 +/- 1.81   0.189% *  0.0323% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.03 +/- 1.54   0.196% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.41 +/- 3.85   0.213% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.82 +/- 5.17   0.149% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.16 +/- 1.72   0.158% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.59 +/- 2.61   0.236% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  17.08 +/- 1.73   0.191% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  18.90 +/- 2.26   0.150% *  0.0124% (0.14   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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.934, support = 4.61, residual support = 147.7:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.17  48.107% * 59.0490% (1.00  10.0 10.00   4.75 160.24) =  90.893%  kept
        T QB    LEU   98 - HB    VAL   41   5.23 +/- 2.97  17.555% *  9.0504% (0.15   1.0 10.00   2.89  22.02) =   5.084%  kept
        T HB    VAL   42 - HB    VAL   41   5.49 +/- 0.38   4.059% * 26.0070% (0.44   1.0 10.00   4.14  28.31) =   3.378%  kept
          QB    LEU   98 - QB    LYS+ 102   5.41 +/- 1.13  12.281% *  1.4846% (0.34   1.0  1.00   1.47   1.93) =   0.583%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   8.88 +/- 0.94   1.177% *  0.5586% (0.95   1.0 10.00   0.02   0.02) =   0.021%
        T HG3   LYS+  33 - HB    VAL   41   9.92 +/- 2.52   1.107% *  0.2510% (0.43   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   42 - QB    LYS+ 102  12.53 +/- 2.38   0.347% *  0.5788% (0.98   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - QB    LYS+ 102  16.56 +/- 4.26   0.293% *  0.5586% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HB    VAL   41  11.68 +/- 3.13   0.558% *  0.2510% (0.43   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HB    VAL   41  13.12 +/- 3.45   0.382% *  0.2653% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HB    VAL   41   8.97 +/- 3.37   2.900% *  0.0265% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 112 - QB    LYS+ 102  21.53 +/- 2.52   0.109% *  0.5853% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HB    VAL   41  14.75 +/- 2.18   0.239% *  0.2601% (0.44   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB    VAL   41   6.41 +/- 3.59   6.102% *  0.0074% (0.12   1.0  1.00   0.02  22.02) =   0.001%
        T HG3   LYS+  65 - QB    LYS+ 102  20.95 +/- 2.18   0.076% *  0.5788% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QB    LYS+ 102   6.94 +/- 1.21   2.408% *  0.0164% (0.28   1.0  1.00   0.02   1.93) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  21.26 +/- 2.73   0.101% *  0.2630% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  16.83 +/- 3.26   0.178% *  0.0589% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  16.14 +/- 3.56   0.227% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.59 +/- 4.02   0.102% *  0.0358% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  16.56 +/- 3.04   0.181% *  0.0161% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  18.17 +/- 5.83   0.207% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  15.03 +/- 2.96   0.242% *  0.0100% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  11.98 +/- 2.74   0.525% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.53 +/- 1.17   0.084% *  0.0243% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.63 +/- 1.80   0.170% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  18.32 +/- 4.43   0.190% *  0.0053% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.20 +/- 2.35   0.093% *  0.0091% (0.15   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 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 160.2:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.28 +/- 0.29  77.115% * 94.6216% (1.00  10.0 10.00   4.75 160.24) =  99.962%  kept
        T QD    LYS+  38 - QB    LYS+ 102  12.24 +/- 5.04   1.170% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+ 102 - HB    VAL   41  12.04 +/- 3.12   1.222% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HB    VAL   41  10.64 +/- 1.24   1.208% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.006%
          QD    LYS+  99 - QB    LYS+ 102   6.63 +/- 1.55   6.210% *  0.0211% (0.22   1.0  1.00   0.02   1.51) =   0.002%
        T HG3   PRO   93 - QB    LYS+ 102  20.65 +/- 1.45   0.130% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - HB    VAL   41  18.43 +/- 2.05   0.277% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QB    LYS+ 102  19.93 +/- 2.15   0.200% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB    VAL   41  14.65 +/- 1.70   0.404% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.93 +/- 3.63   0.136% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  19.90 +/- 4.00   0.170% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41   9.37 +/- 3.45   3.277% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.63 +/- 1.31   2.166% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+ 102  15.81 +/- 5.55   0.473% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   9.42 +/- 2.82   2.467% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  24.04 +/- 2.56   0.078% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  20.05 +/- 5.21   0.201% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  16.43 +/- 5.18   0.611% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  18.67 +/- 4.93   0.260% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.65 +/- 3.21   1.150% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.20 +/- 3.30   0.303% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  15.66 +/- 4.23   0.366% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.93 +/- 1.58   0.131% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.77 +/- 2.41   0.275% *  0.0241% (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 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 4.72, residual support = 159.0:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.58 +/- 0.45  84.931% * 86.0352% (1.00 10.00   4.75 160.24) =  99.234%  kept
        T QE    LYS+  99 - HB    VAL   41   8.73 +/- 2.67   4.242% * 11.8362% (0.31 10.00   0.89   0.02) =   0.682%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.57 +/- 1.41   5.898% *  0.5910% (0.69 10.00   0.02   1.51) =   0.047%
        T QE    LYS+  38 - QB    LYS+ 102  12.41 +/- 4.33   2.049% *  0.7942% (0.92 10.00   0.02   0.02) =   0.022%
        T QE    LYS+ 102 - HB    VAL   41  12.06 +/- 3.18   1.422% *  0.3866% (0.45 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  38 - HB    VAL   41  10.70 +/- 1.68   1.459% *  0.3569% (0.41 10.00   0.02   0.02) =   0.007%
    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 = 160.2:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   2.86 +/- 0.52  96.836% * 99.7392% (1.00  10.0 10.00   5.75 160.24) =  99.998%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.84 +/- 4.39   1.632% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG2   LYS+ 102  30.69 +/- 4.52   0.306% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.28 +/- 3.76   0.325% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.75 +/- 1.50   0.280% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.19 +/- 3.16   0.621% *  0.0197% (0.20   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 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 159.8:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.40 +/- 0.14  92.565% * 91.6921% (1.00  10.0 10.00   5.31 160.24) =  99.647%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.19 +/- 0.88   4.186% *  6.8958% (0.34   1.0  1.00   4.41  23.36) =   0.339%  kept
        T QB    LYS+  66 - HG2   LYS+ 102  22.00 +/- 4.27   1.151% *  0.6298% (0.69   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   41 - HG2   LYS+ 102  12.67 +/- 3.37   0.983% *  0.4463% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - HG2   LYS+ 102  17.92 +/- 4.33   0.315% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.55 +/- 3.10   0.271% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  23.77 +/- 4.54   0.217% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.92 +/- 1.96   0.109% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  24.77 +/- 5.48   0.140% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.34 +/- 3.46   0.063% *  0.0141% (0.15   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 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 = 160.2:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  94.315% * 96.7067% (1.00  10.0 10.00   4.42 160.24) =  99.992%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.36 +/- 1.24   0.404% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - HG2   LYS+ 102  18.49 +/- 4.83   0.147% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.70 +/- 1.29   3.192% *  0.0330% (0.34   1.0  1.00   0.02   1.93) =   0.001%
        T HG3   LYS+  65 - HG2   LYS+ 102  24.46 +/- 3.02   0.054% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   8.45 +/- 1.20   1.166% *  0.0269% (0.28   1.0  1.00   0.02   1.93) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  15.07 +/- 2.69   0.177% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.23 +/- 3.23   0.112% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.50 +/- 4.38   0.145% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  25.72 +/- 2.76   0.038% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  24.19 +/- 4.55   0.052% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  21.58 +/- 6.57   0.091% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.11 +/- 1.67   0.044% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.08 +/- 2.69   0.062% *  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 = 160.2:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.27 +/- 0.15  93.939% * 98.2489% (1.00  10.0 10.00   4.42 160.24) =  99.996%  kept
          QD    LYS+  38 - HG2   LYS+ 102  13.72 +/- 5.99   1.169% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  23.22 +/- 2.93   0.136% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  26.08 +/- 3.88   0.092% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   8.24 +/- 1.30   2.476% *  0.0219% (0.22   1.0  1.00   0.02   1.51) =   0.001%
          QD    LYS+ 106 - HG2   LYS+ 102  10.82 +/- 1.79   1.201% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  19.37 +/- 6.24   0.286% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  21.11 +/- 5.86   0.196% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  24.09 +/- 5.86   0.123% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.59 +/- 3.37   0.216% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.33 +/- 2.01   0.083% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  24.53 +/- 2.16   0.084% *  0.0556% (0.57   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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 160.1:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.04 +/- 0.50  90.267% * 98.4155% (1.00  10.0 10.00   4.42 160.24) =  99.914%  kept
        T QE    LYS+  38 - HG2   LYS+ 102  13.88 +/- 5.32   4.668% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.048%
        T QE    LYS+  99 - HG2   LYS+ 102   9.36 +/- 1.18   5.065% *  0.6760% (0.69   1.0 10.00   0.02   1.51) =   0.039%
    Distance limit 4.80 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 = 160.2:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.99 +/- 0.77  67.116% * 97.9004% (1.00  10.0 10.00   5.05 160.24) =  99.969%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.56 +/- 0.83   3.164% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LYS+ 102 - HG3   LYS+  33  17.29 +/- 4.49   0.799% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+ 102 - HG3   LYS+  65  22.30 +/- 2.29   0.343% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.004%
          HA    CYS   50 - HG3   LYS+  65  14.54 +/- 4.26   5.136% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   49 - HG3   LYS+  65  17.08 +/- 5.28   2.607% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  65  13.38 +/- 2.05   1.542% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  11.64 +/- 1.73   2.431% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - HG3   LYS+  65  11.13 +/- 2.63   3.840% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+ 102  22.10 +/- 4.64   0.614% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HG3   LYS+ 106  19.28 +/- 3.37   4.265% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG3   LYS+ 102  30.57 +/- 4.62   0.321% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  22.34 +/- 3.61   1.732% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.30 +/- 1.52   1.830% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.28 +/- 3.47   0.368% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.16 +/- 3.80   0.319% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.03 +/- 0.55   1.574% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.43 +/- 1.45   0.261% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  19.67 +/- 3.95   0.722% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.39 +/- 3.66   0.271% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.18 +/- 2.78   0.117% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.08 +/- 2.66   0.155% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  29.35 +/- 3.15   0.091% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.38 +/- 2.38   0.382% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.909, support = 5.19, residual support = 157.0:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.33 +/- 0.17  38.460% * 49.7874% (1.00  10.0 10.00   4.75 160.24) =  56.704%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.39 +/- 0.16  35.709% * 39.7143% (0.80  10.0  1.00   5.84 156.54) =  41.997%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.76 +/- 1.16   7.030% *  5.3630% (0.56   1.0  1.00   3.85  30.36) =   1.117%  kept
          HG12  ILE  103 - HG3   LYS+ 102   7.16 +/- 0.93   1.692% *  3.2902% (0.34   1.0  1.00   3.87  23.36) =   0.165%  kept
        T HB    VAL   41 - HG3   LYS+  33   9.92 +/- 2.52   0.822% *  0.1204% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HG3   LYS+  65  10.94 +/- 4.45   4.362% *  0.0197% (0.40   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.88 +/- 0.94   0.871% *  0.0907% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   LYS+ 102  13.12 +/- 3.45   0.288% *  0.2423% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+  33  16.56 +/- 4.26   0.234% *  0.2473% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   LYS+  65  14.75 +/- 2.18   0.183% *  0.1972% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  33   9.09 +/- 2.99   1.347% *  0.0239% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  20.95 +/- 2.18   0.061% *  0.4052% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  11.68 +/- 3.13   0.515% *  0.0442% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG3   LYS+  65  15.92 +/- 4.20   0.530% *  0.0374% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG3   LYS+ 106   5.63 +/- 1.29   3.971% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.02 +/- 1.96   0.302% *  0.0391% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  15.79 +/- 2.93   0.465% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  22.19 +/- 4.26   0.274% *  0.0342% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  12.19 +/- 2.47   0.512% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  18.44 +/- 4.25   0.101% *  0.0480% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  24.14 +/- 4.88   0.169% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.67 +/- 3.14   0.082% *  0.0488% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.58 +/- 2.90   0.188% *  0.0170% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  16.85 +/- 4.17   0.228% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.78 +/- 3.72   0.289% *  0.0063% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.83 +/- 1.50   0.037% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.92 +/- 1.57   0.199% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  16.28 +/- 2.46   0.141% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  19.01 +/- 2.28   0.085% *  0.0138% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  17.08 +/- 3.54   0.128% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  17.26 +/- 2.99   0.145% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.90 +/- 3.48   0.137% *  0.0063% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.91 +/- 2.05   0.031% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.64 +/- 5.48   0.050% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.27 +/- 3.43   0.074% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.17 +/- 3.33   0.022% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.85 +/- 3.80   0.044% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.35 +/- 3.60   0.102% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.36 +/- 3.47   0.095% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.74 +/- 3.24   0.024% *  0.0038% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.993, support = 4.41, residual support = 157.2:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  70.216% * 85.0397% (1.00  10.0 10.00   4.42 160.24) =  97.680%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.52 +/- 1.79  11.454% * 12.3207% (0.71   1.0  1.00   4.10  30.36) =   2.309%  kept
          QB    ALA   61 - HG3   LYS+  65   5.63 +/- 2.33   8.136% *  0.0364% (0.43   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+ 102 - HG3   LYS+  33  18.49 +/- 4.83   0.110% *  0.4224% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.36 +/- 1.24   0.297% *  0.1549% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   8.03 +/- 1.09   0.877% *  0.0475% (0.56   1.0  1.00   0.02   0.33) =   0.001%
          HG    LEU   73 - HG3   LYS+  33  10.00 +/- 3.54   0.837% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   9.04 +/- 1.00   0.624% *  0.0475% (0.56   1.0  1.00   0.02   0.33) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  24.46 +/- 3.02   0.041% *  0.6920% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  12.01 +/- 1.88   0.284% *  0.0678% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  22.63 +/- 4.02   0.240% *  0.0738% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  11.40 +/- 2.10   0.469% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.46 +/- 2.21   1.160% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  14.85 +/- 4.23   0.157% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  18.58 +/- 3.98   0.120% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.12 +/- 1.49   0.156% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.93 +/- 2.07   0.155% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.91 +/- 3.07   0.203% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.01 +/- 2.06   0.302% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  15.41 +/- 2.44   0.230% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.22 +/- 3.12   0.133% *  0.0366% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.22 +/- 2.95   0.148% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  21.58 +/- 4.23   0.069% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.90 +/- 1.99   0.301% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  19.22 +/- 3.45   0.082% *  0.0447% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  21.65 +/- 3.66   0.058% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  12.67 +/- 3.41   0.264% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  17.56 +/- 4.78   0.128% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.97 +/- 2.16   0.164% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.14 +/- 1.48   0.157% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  15.55 +/- 3.34   0.178% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.74 +/- 1.80   0.039% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  13.84 +/- 2.62   0.228% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.27 +/- 4.35   0.087% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  18.25 +/- 2.44   0.078% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.44 +/- 1.77   0.345% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  22.03 +/- 7.92   0.098% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  23.58 +/- 6.16   0.046% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.13 +/- 1.82   0.050% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  17.74 +/- 2.51   0.097% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.37 +/- 4.30   0.060% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  13.30 +/- 3.20   0.317% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.48 +/- 3.05   0.035% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.08 +/- 3.45   0.110% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  17.10 +/- 3.28   0.105% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.20 +/- 1.72   0.252% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  21.81 +/- 2.02   0.041% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.32 +/- 2.59   0.044% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  19.33 +/- 4.26   0.082% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  23.99 +/- 2.81   0.035% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  25.36 +/- 2.99   0.027% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.55 +/- 3.53   0.071% *  0.0039% (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 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 = 4.13, residual support = 158.2:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.42 +/- 0.14  27.928% * 63.6907% (1.00  10.0 10.00   4.00 160.24) =  64.828%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.37 +/- 0.15  29.647% * 29.3443% (0.46  10.0 10.00   4.34 156.54) =  31.707%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.29 +/- 0.12  32.644% *  2.8935% (0.05  10.0  1.00   4.62 134.86) =   3.443%  kept
        T HB2   LEU   73 - HG3   LYS+  65  11.16 +/- 1.58   0.378% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - HG3   LYS+  33  10.78 +/- 3.69   0.561% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.96 +/- 1.62   0.575% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG3   LYS+  33  16.47 +/- 3.30   0.298% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  17.46 +/- 4.38   0.136% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG3   LYS+ 106  15.73 +/- 3.51   0.532% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  65  22.11 +/- 3.15   0.062% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  19.87 +/- 3.68   0.108% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+  65  15.63 +/- 4.09   0.516% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.84 +/- 4.10   0.042% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 102  14.45 +/- 5.95   0.351% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.38 +/- 2.99   0.045% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 102  23.35 +/- 2.94   0.044% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG3   LYS+  65  16.93 +/- 4.73   0.455% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.76 +/- 1.39   0.782% *  0.0142% (0.22   1.0  1.00   0.02   1.51) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.37 +/- 1.01   0.388% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.67 +/- 3.93   1.308% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  16.70 +/- 3.06   0.143% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.63 +/- 1.74   0.404% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  17.35 +/- 3.43   0.120% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  18.07 +/- 2.53   0.084% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  17.87 +/- 3.94   0.119% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.70 +/- 3.55   0.016% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  19.30 +/- 6.17   0.099% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  21.11 +/- 5.96   0.079% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  19.68 +/- 2.90   0.070% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.08 +/- 1.55   0.102% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  12.48 +/- 4.90   0.435% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  23.98 +/- 5.84   0.044% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.25 +/- 1.56   0.029% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.38 +/- 1.62   0.150% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  21.42 +/- 6.40   0.076% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.21 +/- 3.41   0.115% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.62 +/- 4.12   0.040% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  17.74 +/- 2.51   0.090% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  17.85 +/- 4.02   0.098% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.37 +/- 1.80   0.029% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.95 +/- 1.04   0.356% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  16.84 +/- 3.78   0.119% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.97 +/- 1.88   0.130% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  21.84 +/- 3.55   0.050% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.47 +/- 3.03   0.083% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.83 +/- 2.33   0.026% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.53 +/- 3.03   0.064% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.21 +/- 2.59   0.025% *  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 = 0.999, support = 4.0, residual support = 160.1:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.41 +/- 0.37  83.456% * 94.7812% (1.00  10.0 10.00   4.00 160.24) =  99.913%  kept
        T QE    LYS+  99 - HG3   LYS+  33  12.76 +/- 3.89   7.557% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.031%
        T QE    LYS+  38 - HG3   LYS+ 102  14.57 +/- 5.34   1.656% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.018%
        T QE    LYS+  99 - HG3   LYS+ 102   9.84 +/- 1.30   1.862% *  0.6511% (0.69   1.0 10.00   0.02   1.51) =   0.015%
        T QE    LYS+  38 - HG3   LYS+  33  10.21 +/- 1.54   1.315% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.82 +/- 1.82   1.576% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+ 102 - HG3   LYS+  33  17.48 +/- 4.44   0.514% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  65  17.29 +/- 3.12   0.402% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  38 - HG3   LYS+  65  19.60 +/- 2.99   0.254% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  22.01 +/- 2.82   0.166% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+ 106  11.26 +/- 1.05   0.964% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  17.73 +/- 2.75   0.278% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 160.2:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.37 +/- 0.77  69.815% * 99.0980% (1.00 10.00   5.05 160.24) =  99.989%  kept
          HA    CYS   21 - QD    LYS+ 102  20.11 +/- 4.20   1.694% *  0.0828% (0.84  1.00   0.02   0.02) =   0.002%
          HA1   GLY  109 - HD2   LYS+ 111   8.09 +/- 1.66  10.262% *  0.0126% (0.13  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.49 +/- 3.78   0.450% *  0.2591% (0.26 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 102 - QD    LYS+  65  21.32 +/- 2.26   0.414% *  0.2505% (0.25 10.00   0.02   0.02) =   0.002%
          HA    CYS   50 - QD    LYS+  65  13.25 +/- 4.03   4.323% *  0.0112% (0.11  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+  65  15.30 +/- 5.07   2.954% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  12.81 +/- 1.76   1.600% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  27.27 +/- 4.71   0.484% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.09 +/- 4.04   0.552% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.89 +/- 1.63   0.460% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  10.77 +/- 2.53   3.859% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  20.39 +/- 3.32   0.751% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.79 +/- 3.08   0.940% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.24 +/- 3.13   0.476% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.80 +/- 3.27   0.576% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.90 +/- 4.79   0.187% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  26.80 +/- 3.46   0.203% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.825, support = 4.88, residual support = 158.5:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.28 +/- 0.29  38.512% * 71.6045% (1.00  10.0 10.00   4.75 160.24) =  76.713%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.13  45.890% * 17.7400% (0.25  10.0 10.00   5.36 156.54) =  22.646%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.66 +/- 1.25   2.511% *  4.7675% (0.34   1.0  1.00   3.90  23.36) =   0.333%  kept
          QB    LYS+  66 - QD    LYS+  65   5.24 +/- 0.81   3.767% *  2.6898% (0.17   1.0  1.00   4.33  30.36) =   0.282%  kept
        T QB    LYS+  65 - QD    LYS+ 102  19.44 +/- 3.10   0.266% *  0.7019% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   PRO   93 - QD    LYS+  65  14.88 +/- 4.03   1.113% *  0.1671% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   41 - QD    LYS+ 102  12.04 +/- 3.12   0.508% *  0.3485% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   PRO   93 - HD2   LYS+ 111  11.18 +/- 3.49   0.754% *  0.1728% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - QD    LYS+ 102  19.83 +/- 4.06   1.757% *  0.0492% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   93 - QD    LYS+ 102  21.18 +/- 2.12   0.057% *  0.6610% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - QD    LYS+  65  15.34 +/- 4.18   0.774% *  0.0279% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  10.27 +/- 4.18   1.937% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  19.93 +/- 2.15   0.089% *  0.1810% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  14.65 +/- 1.70   0.170% *  0.0881% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.31 +/- 2.66   0.077% *  0.1835% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.93 +/- 3.63   0.070% *  0.1872% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  22.03 +/- 4.72   0.089% *  0.1105% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  16.59 +/- 3.93   0.135% *  0.0691% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.83 +/- 1.72   0.280% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.85 +/- 4.41   0.106% *  0.0349% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  24.04 +/- 2.56   0.037% *  0.0911% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  19.08 +/- 1.54   0.068% *  0.0289% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  13.06 +/- 5.07   0.481% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  20.18 +/- 2.83   0.071% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.40 +/- 2.26   0.102% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.40 +/- 3.09   0.204% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.51 +/- 3.38   0.088% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  27.05 +/- 4.09   0.031% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.90 +/- 3.66   0.037% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.96 +/- 3.65   0.020% *  0.0091% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.986, support = 4.42, residual support = 157.9:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.27 +/- 0.15  49.284% * 92.7915% (1.00  10.0 10.00   4.42 160.24) =  98.249%  kept
          QG    LYS+  66 - QD    LYS+  65   4.75 +/- 1.44  13.764% *  4.6701% (0.22   1.0  1.00   4.59  30.36) =   1.381%  kept
          QB    ALA  110 - HD2   LYS+ 111   4.66 +/- 1.42  14.730% *  1.1412% (0.08   1.0  1.00   3.05   9.12) =   0.361%  kept
          QB    ALA   61 - QD    LYS+  65   5.33 +/- 2.31  11.823% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - QD    LYS+ 102  20.21 +/- 3.81   0.611% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+ 102  13.39 +/- 3.62   0.354% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    LYS+  65   8.12 +/- 0.79   1.227% *  0.0161% (0.17   1.0  1.00   0.02   0.33) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  16.84 +/- 3.56   0.208% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.99 +/- 1.23   1.084% *  0.0161% (0.17   1.0  1.00   0.02   0.33) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   9.73 +/- 1.52   0.863% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.22 +/- 2.93   0.058% *  0.2345% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  26.08 +/- 3.88   0.050% *  0.2426% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  19.26 +/- 4.01   0.171% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  17.26 +/- 3.38   0.178% *  0.0488% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.00 +/- 1.39   0.376% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  19.38 +/- 3.38   0.133% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.29 +/- 1.87   0.088% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111  10.42 +/- 1.75   0.991% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.00 +/- 2.16   0.306% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.00 +/- 1.39   0.234% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.18 +/- 3.74   0.171% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  21.10 +/- 5.79   0.109% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.67 +/- 1.98   0.543% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.78 +/- 2.02   0.110% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.82 +/- 2.49   0.521% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.44 +/- 4.05   0.120% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  20.34 +/- 2.81   0.121% *  0.0210% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  16.28 +/- 4.40   0.280% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  16.56 +/- 1.70   0.157% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.29 +/- 1.76   0.327% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  19.38 +/- 1.89   0.083% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  23.27 +/- 3.91   0.107% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  13.45 +/- 1.19   0.259% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  23.59 +/- 3.32   0.072% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  23.34 +/- 3.52   0.084% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  24.77 +/- 3.98   0.057% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  16.81 +/- 2.47   0.165% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.50 +/- 4.30   0.144% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  28.52 +/- 4.23   0.037% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.843, support = 4.07, residual support = 159.0:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.42 +/- 0.14  36.275% * 72.1728% (1.00  10.0 10.00   4.00 160.24) =  79.168%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.37 +/- 0.15  37.843% * 17.8808% (0.25  10.0 10.00   4.34 156.54) =  20.461%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.51 +/- 1.25   1.609% *  4.4400% (0.26   1.0  1.00   4.75  28.73) =   0.216%  kept
          QB    LEU   98 - QD    LYS+ 102   6.45 +/- 1.40   5.198% *  0.7485% (0.34   1.0  1.00   0.61   1.93) =   0.118%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.96 +/- 1.62   0.744% *  0.6827% (0.95   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+  33 - QD    LYS+ 102  17.46 +/- 4.38   0.185% *  0.6827% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU   73 - QD    LYS+ 102  17.65 +/- 3.22   0.161% *  0.7201% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HD2   LYS+ 111  15.73 +/- 3.51   0.446% *  0.1785% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - QD    LYS+  65  16.47 +/- 3.30   0.406% *  0.1726% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD    LYS+  65  13.06 +/- 4.07   8.923% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QD    LYS+ 102  22.11 +/- 3.15   0.079% *  0.7074% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   93 - HD2   LYS+ 111  12.30 +/- 3.25   0.573% *  0.0776% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.08 +/- 1.61   2.142% *  0.0201% (0.28   1.0  1.00   0.02   1.93) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  18.07 +/- 2.53   0.103% *  0.1726% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  13.87 +/- 2.43   0.230% *  0.0707% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.38 +/- 2.99   0.058% *  0.1849% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  24.41 +/- 4.02   0.054% *  0.1883% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.35 +/- 2.94   0.055% *  0.1824% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  10.69 +/- 1.36   0.504% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.84 +/- 4.10   0.043% *  0.1887% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.70 +/- 1.36   0.388% *  0.0179% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.45 +/- 4.15   0.219% *  0.0271% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  15.57 +/- 2.84   0.219% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.70 +/- 3.55   0.022% *  0.1785% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65   8.70 +/- 2.23   1.343% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  22.63 +/- 2.56   0.051% *  0.0715% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  22.36 +/- 4.33   0.066% *  0.0438% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  15.41 +/- 3.36   0.236% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.01 +/- 3.63   0.378% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.11 +/- 3.61   0.315% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.55 +/- 1.85   0.065% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.31 +/- 5.74   0.129% *  0.0143% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.52 +/- 2.64   0.082% *  0.0185% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  15.49 +/- 2.00   0.160% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.14 +/- 2.75   0.087% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.29 +/- 3.63   0.213% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.04 +/- 2.69   0.129% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.97 +/- 2.76   0.081% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.67 +/- 3.13   0.064% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.35 +/- 4.22   0.021% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.84 +/- 1.32   0.059% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  24.45 +/- 3.04   0.042% *  0.0029% (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 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 = 160.2:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.02  93.693% * 97.1326% (1.00  10.0 10.00   4.00 160.24) =  99.956%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.85 +/- 1.72   4.353% *  0.6672% (0.69   1.0 10.00   0.02   1.51) =   0.032%
        T QE    LYS+  38 - QD    LYS+ 102  13.11 +/- 4.67   1.016% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.63 +/- 4.16   0.179% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  16.62 +/- 2.84   0.254% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  18.59 +/- 2.65   0.177% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  20.88 +/- 2.78   0.136% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  22.68 +/- 3.59   0.140% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  28.60 +/- 4.05   0.052% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.999, support = 5.05, residual support = 160.1:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.45 +/- 0.36  78.365% * 98.6090% (1.00 10.00   5.05 160.24) =  99.921%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.69 +/- 0.96   6.711% *  0.6725% (0.68 10.00   0.02   1.51) =   0.058%
        T HA    LYS+ 102 - QE    LYS+  38  13.61 +/- 4.57   5.245% *  0.2257% (0.23 10.00   0.02   0.02) =   0.015%
          HA    CYS   21 - QE    LYS+ 102  19.88 +/- 4.45   1.680% *  0.0824% (0.84  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - QE    LYS+  99  17.20 +/- 2.92   0.960% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QE    LYS+ 102  26.86 +/- 5.03   0.749% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QE    LYS+ 102  24.76 +/- 4.29   0.749% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.62 +/- 1.87   0.513% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.18 +/- 2.88   0.796% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.17 +/- 3.76   0.702% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.77 +/- 1.09   0.384% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  26.16 +/- 3.11   0.265% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.87 +/- 2.09   0.850% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.40 +/- 2.08   0.324% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  27.39 +/- 4.35   0.421% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  18.08 +/- 2.79   0.885% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  29.91 +/- 4.63   0.221% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.79 +/- 2.32   0.182% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.989, support = 4.71, residual support = 157.9:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.58 +/- 0.45  65.845% * 80.0996% (1.00 10.00   4.75 160.24) =  98.414%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.46 +/- 1.28   7.575% *  5.4212% (0.34  1.00   3.97  23.36) =   0.766%  kept
        T HB    VAL   41 - QE    LYS+  99   8.73 +/- 2.67   3.283% * 11.8518% (0.33 10.00   0.89   0.02) =   0.726%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.57 +/- 1.41   4.570% *  0.5463% (0.68 10.00   0.02   1.51) =   0.047%
          HG12  ILE  103 - QE    LYS+  99   9.27 +/- 0.80   1.735% *  0.7464% (0.23  1.00   0.80   0.41) =   0.024%
        T HB    VAL   41 - QE    LYS+ 102  12.06 +/- 3.18   1.102% *  0.3899% (0.49 10.00   0.02   0.02) =   0.008%
        T QB    LYS+ 102 - QE    LYS+  38  12.41 +/- 4.33   1.591% *  0.1834% (0.23 10.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  99  10.26 +/- 4.81   3.265% *  0.0527% (0.66  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QE    LYS+  38  10.70 +/- 1.68   1.129% *  0.0892% (0.11 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QE    LYS+  99  14.58 +/- 4.64   1.244% *  0.0375% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  38  10.49 +/- 2.43   2.057% *  0.0177% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+ 102  16.84 +/- 3.71   0.374% *  0.0773% (0.97  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  15.00 +/- 2.92   0.522% *  0.0535% (0.67  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+ 102  19.94 +/- 3.66   0.440% *  0.0550% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  15.75 +/- 4.33   0.892% *  0.0266% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  19.39 +/- 2.90   0.206% *  0.0785% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  21.94 +/- 4.60   0.301% *  0.0390% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.02 +/- 2.09   0.134% *  0.0739% (0.92  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.20 +/- 2.12   0.160% *  0.0504% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  16.97 +/- 5.89   0.735% *  0.0084% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  17.33 +/- 2.68   0.310% *  0.0180% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  15.79 +/- 3.65   0.545% *  0.0089% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.58 +/- 2.83   0.379% *  0.0126% (0.16  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.88 +/- 3.12   0.576% *  0.0063% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  22.16 +/- 4.21   0.167% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  24.78 +/- 3.44   0.087% *  0.0169% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.32 +/- 4.03   0.514% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.66 +/- 3.68   0.083% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.50 +/- 3.09   0.099% *  0.0084% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  28.54 +/- 4.98   0.083% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 4.39, residual support = 159.1:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.04 +/- 0.50  47.077% * 95.3923% (1.00  10.0 10.00   4.42 160.24) =  99.265%  kept
          HG    LEU   40 - QE    LYS+  99   6.94 +/- 4.65  11.934% *  2.4051% (0.55   1.0  1.00   0.92   9.41) =   0.634%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.36 +/- 1.18   2.415% *  0.6506% (0.68   1.0 10.00   0.02   1.51) =   0.035%
          HG    LEU   40 - QE    LYS+  38   9.33 +/- 2.53   8.366% *  0.1733% (0.18   1.0  1.00   0.20   0.76) =   0.032%
        T HG2   LYS+ 102 - QE    LYS+  38  13.88 +/- 5.32   2.245% *  0.2184% (0.23   1.0 10.00   0.02   0.02) =   0.011%
          QB    ALA   61 - QE    LYS+  99  13.41 +/- 3.50   5.302% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   67 - QE    LYS+  99  13.25 +/- 5.19   2.805% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - QE    LYS+ 102  20.33 +/- 3.43   0.978% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QE    LYS+ 102  16.71 +/- 3.67   0.853% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QE    LYS+  99  15.17 +/- 4.29   1.311% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QE    LYS+  99  13.50 +/- 4.79   1.467% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+ 102  13.65 +/- 3.59   0.755% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  99  13.81 +/- 2.67   0.889% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+ 102  19.40 +/- 3.71   0.412% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+ 102  17.19 +/- 3.27   0.463% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+  38  16.30 +/- 3.99   1.820% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  19.49 +/- 3.12   0.315% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.20 +/- 1.90   0.246% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  14.03 +/- 4.09   1.090% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.93 +/- 3.13   0.812% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  17.28 +/- 1.98   0.327% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  14.88 +/- 3.06   0.972% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  17.28 +/- 3.48   0.600% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.36 +/- 3.71   0.787% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.73 +/- 6.05   0.360% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.22 +/- 2.86   0.781% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.58 +/- 2.42   0.357% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.44 +/- 4.11   0.358% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  17.23 +/- 3.08   0.381% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  14.11 +/- 3.68   1.233% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.94 +/- 1.80   0.305% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  19.32 +/- 2.13   0.253% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.08 +/- 1.58   0.340% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.97 +/- 4.41   0.217% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  22.47 +/- 3.66   0.232% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.08 +/- 2.74   0.351% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  22.08 +/- 3.40   0.274% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  24.38 +/- 5.52   0.172% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.90 +/- 2.38   0.146% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.996, support = 3.99, residual support = 159.5:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.41 +/- 0.37  59.100% * 88.2378% (1.00  10.0 10.00   4.00 160.24) =  99.503%  kept
          QB    LEU   98 - QE    LYS+  99   6.70 +/- 0.51   3.469% *  4.3519% (0.23   1.0  1.00   4.24  18.27) =   0.288%  kept
          QB    LEU   98 - QE    LYS+ 102   6.56 +/- 1.15   4.595% *  0.9151% (0.34   1.0  1.00   0.61   1.93) =   0.080%
        T HG3   LYS+  33 - QE    LYS+  99  12.76 +/- 3.89   5.378% *  0.5692% (0.65   1.0 10.00   0.02   0.02) =   0.058%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.82 +/- 1.82   1.116% *  0.8347% (0.95   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+ 102 - QE    LYS+  99   9.84 +/- 1.30   1.317% *  0.6018% (0.68   1.0 10.00   0.02   1.51) =   0.015%
        T HG3   LYS+ 106 - QE    LYS+  99  11.26 +/- 1.05   0.681% *  0.5692% (0.65   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QE    LYS+ 102  17.48 +/- 4.44   0.362% *  0.8347% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - QE    LYS+  38  14.57 +/- 5.34   1.171% *  0.2020% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QE    LYS+  38  10.21 +/- 1.54   0.931% *  0.1911% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  99  17.29 +/- 3.12   0.284% *  0.5898% (0.67   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QE    LYS+  99   9.15 +/- 2.93   2.425% *  0.0590% (0.67   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+ 102  22.01 +/- 2.82   0.118% *  0.8649% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   8.08 +/- 1.54   2.871% *  0.0245% (0.28   1.0  1.00   0.02   1.93) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  17.73 +/- 2.75   0.196% *  0.1911% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  13.97 +/- 2.29   0.429% *  0.0865% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QE    LYS+  38  19.60 +/- 2.99   0.180% *  0.1980% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QE    LYS+  99   8.01 +/- 0.89   2.045% *  0.0167% (0.19   1.0  1.00   0.02  18.27) =   0.001%
          HB3   LEU   73 - QE    LYS+ 102  17.48 +/- 3.44   0.307% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+  38  14.77 +/- 5.02   2.159% *  0.0123% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+  99  17.44 +/- 4.47   0.705% *  0.0365% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  14.61 +/- 2.18   0.400% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  17.63 +/- 3.38   0.955% *  0.0226% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  12.46 +/- 2.38   0.859% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  14.37 +/- 7.02   1.334% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  16.12 +/- 4.22   0.340% *  0.0331% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  16.91 +/- 4.78   2.361% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  22.53 +/- 2.95   0.101% *  0.0875% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  20.62 +/- 3.02   0.147% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  11.43 +/- 3.07   1.224% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  22.52 +/- 4.50   0.148% *  0.0535% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.02 +/- 2.81   0.318% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.40 +/- 1.84   0.108% *  0.0363% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.08 +/- 1.55   0.152% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  19.48 +/- 5.24   0.213% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.57 +/- 3.59   0.562% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  19.95 +/- 2.99   0.174% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.89 +/- 1.83   0.255% *  0.0093% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  25.88 +/- 4.49   0.077% *  0.0200% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.75 +/- 2.97   0.141% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  23.25 +/- 3.47   0.104% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  18.63 +/- 2.84   0.191% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.789, support = 4.01, residual support = 170.1:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.02  30.498% * 72.2175% (1.00  10.0 10.00   4.00 160.24) =  74.653%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  30.849% * 13.2369% (0.18  10.0  1.00   3.74 219.92) =  13.841%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  30.849% * 10.9650% (0.15  10.0 10.00   4.45 174.58) =  11.465%  kept
        T QD    LYS+ 102 - QE    LYS+  99   8.85 +/- 1.72   1.386% *  0.4925% (0.68   1.0 10.00   0.02   1.51) =   0.023%
        T QD    LYS+  99 - QE    LYS+ 102   8.44 +/- 1.58   0.739% *  0.1608% (0.22   1.0 10.00   0.02   1.51) =   0.004%
        T QD    LYS+ 106 - QE    LYS+ 102   9.19 +/- 2.07   0.543% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+  38 - QE    LYS+  99   8.60 +/- 4.48   1.768% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  38  13.11 +/- 4.67   0.329% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.63 +/- 4.16   0.058% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  99  11.29 +/- 1.10   0.219% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - QE    LYS+  38   9.50 +/- 4.01   0.672% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  16.62 +/- 2.84   0.082% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QE    LYS+ 102  13.44 +/- 5.28   0.338% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  20.88 +/- 2.78   0.044% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+  99  22.68 +/- 3.59   0.046% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  99  13.42 +/- 5.45   0.295% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  16.47 +/- 6.14   0.161% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  18.52 +/- 6.02   0.122% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  18.59 +/- 2.65   0.057% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.85 +/- 3.45   0.116% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  17.45 +/- 4.82   0.085% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.91 +/- 2.71   0.077% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  21.60 +/- 4.55   0.043% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.43 +/- 2.15   0.032% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.91 +/- 2.22   0.105% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.47 +/- 2.16   0.043% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  28.60 +/- 4.05   0.017% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  20.39 +/- 3.80   0.056% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.44 +/- 2.31   0.033% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  20.78 +/- 3.95   0.061% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.45 +/- 2.00   0.033% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.05 +/- 2.79   0.095% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  18.20 +/- 2.93   0.060% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  24.81 +/- 3.78   0.028% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  23.12 +/- 4.62   0.033% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  25.40 +/- 4.03   0.029% *  0.0094% (0.13   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 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 = 0.768, support = 5.73, residual support = 138.1:
    * O T HB    ILE  103 - HA    ILE  103   2.97 +/- 0.05  27.227% * 78.9614% (1.00  10.0 10.00   5.66 138.84) =  70.915%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.31 +/- 0.29  55.305% * 15.6264% (0.20  10.0 10.00   5.98 138.84) =  28.507%  kept
          HB3   LYS+  38 - HA    THR   39   4.92 +/- 0.37   6.599% *  1.2802% (0.08   1.0  1.00   3.94  23.80) =   0.279%  kept
          HB3   ASP- 105 - HA    ILE  103   6.88 +/- 0.74   2.791% *  2.8913% (0.99   1.0  1.00   0.74   3.53) =   0.266%  kept
          QB    LYS+ 106 - HA    ILE  103   6.73 +/- 0.65   2.485% *  0.2916% (0.80   1.0  1.00   0.09   0.02) =   0.024%
        T HB    ILE  103 - HA    THR   39  15.69 +/- 3.65   0.240% *  0.2609% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HA    ILE  103  19.86 +/- 4.36   0.890% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    THR   39   9.09 +/- 1.21   1.287% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  15.57 +/- 3.31   0.264% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ILE  103  18.35 +/- 2.94   0.185% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  15.05 +/- 3.84   0.473% *  0.0259% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  18.74 +/- 3.71   0.150% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  13.31 +/- 2.38   0.415% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.88 +/- 3.38   0.079% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  15.03 +/- 4.42   0.284% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.31 +/- 2.41   0.197% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  19.99 +/- 4.31   0.114% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  20.00 +/- 3.12   0.121% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  27.28 +/- 5.46   0.112% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.65 +/- 2.93   0.075% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  14.16 +/- 3.61   0.339% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  20.82 +/- 5.00   0.148% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  25.04 +/- 2.82   0.053% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  26.15 +/- 1.97   0.042% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.61 +/- 3.16   0.082% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.02 +/- 3.10   0.044% *  0.0107% (0.14   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.878, support = 5.4, residual support = 138.1:
    * O T QG2   ILE  103 - HA    ILE  103   2.63 +/- 0.20  44.202% * 65.6970% (1.00  10.0 10.00   5.56 138.84) =  78.022%  kept
        T QD1   ILE  103 - HA    ILE  103   3.25 +/- 0.53  26.953% * 29.4540% (0.45   1.0 10.00   4.88 138.84) =  21.330%  kept
          QD2   LEU   40 - HA    THR   39   5.74 +/- 0.43   4.872% *  3.8793% (0.32   1.0  1.00   3.70  24.46) =   0.508%  kept
          QD2   LEU   71 - HA    THR   39   6.45 +/- 1.89  14.372% *  0.3231% (0.19   1.0  1.00   0.53   0.17) =   0.125%  kept
          QD2   LEU   40 - HA    ILE  103   7.39 +/- 3.31   4.396% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   ILE  103 - HA    THR   39  12.97 +/- 2.74   0.515% *  0.2170% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  103 - HA    THR   39  12.94 +/- 2.64   0.691% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    ILE  103  12.81 +/- 3.17   0.677% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39  10.13 +/- 2.22   1.191% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  13.10 +/- 2.94   0.661% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  18.64 +/- 2.38   0.149% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.10 +/- 1.78   0.315% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.32 +/- 2.82   0.301% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.86 +/- 2.08   0.164% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.60 +/- 3.26   0.339% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  16.08 +/- 0.97   0.201% *  0.0089% (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 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.714, support = 5.08, residual support = 138.3:
    *   T QD1   ILE  103 - HA    ILE  103   3.25 +/- 0.53  27.093% * 77.1809% (0.92   1.0 10.00   4.88 138.84) =  69.003%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.63 +/- 0.20  44.431% * 20.8481% (0.25  10.0 10.00   5.56 138.84) =  30.567%  kept
          QD2   LEU   71 - HA    THR   39   6.45 +/- 1.89  14.446% *  0.6067% (0.28   1.0  1.00   0.53   0.17) =   0.289%  kept
          QD2   LEU   40 - HA    THR   39   5.74 +/- 0.43   4.897% *  0.7893% (0.05   1.0  1.00   3.70  24.46) =   0.128%  kept
        T QD1   ILE  103 - HA    THR   39  12.94 +/- 2.64   0.695% *  0.2550% (0.30   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   40 - HA    ILE  103   7.39 +/- 3.31   4.419% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  13.10 +/- 2.94   0.665% *  0.0698% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE  103 - HA    THR   39  12.97 +/- 2.74   0.518% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  15.32 +/- 2.82   0.302% *  0.0834% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  12.81 +/- 3.17   0.680% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.60 +/- 3.26   0.340% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39  10.13 +/- 2.22   1.198% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.64 +/- 2.38   0.150% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.86 +/- 2.08   0.165% *  0.0094% (0.11   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 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.8:
    * O T HA    ILE  103 - HB    ILE  103   2.97 +/- 0.05  92.650% * 98.6567% (1.00  10.0 10.00   5.66 138.84) =  99.988%  kept
        T HA    THR   39 - HB    ILE  103  15.69 +/- 3.65   0.920% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HB    THR   77 - HB    ILE  103  18.69 +/- 4.02   1.734% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB    ILE  103  13.37 +/- 1.49   1.209% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  17.22 +/- 4.48   0.731% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB    ILE  103  21.50 +/- 4.16   0.542% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  16.31 +/- 5.29   1.131% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.29 +/- 3.56   0.266% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.46 +/- 3.45   0.364% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.08 +/- 4.48   0.099% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.98 +/- 4.47   0.232% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  29.62 +/- 4.52   0.122% *  0.0305% (0.31   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 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 = 0.849, support = 5.04, residual support = 138.8:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  53.402% * 68.8462% (1.00  10.0 10.00   5.16 138.84) =  72.635%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.30 +/- 0.35  44.872% * 30.8659% (0.45  10.0 10.00   4.71 138.84) =  27.363%  kept
          QD2   LEU   40 - HB    ILE  103   9.57 +/- 2.91   0.830% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB    ILE  103  14.60 +/- 2.90   0.245% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.12 +/- 2.80   0.221% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.44 +/- 2.00   0.198% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.30 +/- 2.35   0.081% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.30 +/- 2.76   0.151% *  0.0191% (0.28   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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.759, support = 4.82, residual support = 138.8:
    * O T QD1   ILE  103 - HB    ILE  103   2.30 +/- 0.35  44.961% * 78.5650% (0.92  10.0 10.00   4.71 138.84) =  75.672%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  53.508% * 21.2220% (0.25  10.0 10.00   5.16 138.84) =  24.327%  kept
          QD2   LEU   71 - HB    ILE  103  15.12 +/- 2.80   0.221% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.30 +/- 2.76   0.151% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103   9.57 +/- 2.91   0.831% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.60 +/- 2.90   0.246% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.30 +/- 2.35   0.082% *  0.0290% (0.34   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 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 138.8:
    * O T HA    ILE  103 - QG2   ILE  103   2.63 +/- 0.20  91.528% * 98.6567% (1.00  10.0 10.00   5.56 138.84) =  99.986%  kept
        T HA    THR   39 - QG2   ILE  103  12.97 +/- 2.74   1.036% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.008%
          HA    ASP-  44 - QG2   ILE  103   9.88 +/- 1.31   2.006% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QG2   ILE  103  14.70 +/- 3.12   1.438% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   ILE  103  13.92 +/- 3.28   0.930% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  17.43 +/- 3.02   0.488% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  13.58 +/- 3.62   1.147% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.52 +/- 2.82   0.302% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.30 +/- 2.71   0.521% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  25.90 +/- 3.56   0.126% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.34 +/- 3.67   0.321% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  24.57 +/- 3.60   0.157% *  0.0305% (0.31   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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.936, support = 5.15, residual support = 137.8:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.02  53.537% * 78.9995% (1.00  10.0 10.00   5.16 138.84) =  91.295%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.86 +/- 0.28  23.528% * 15.6339% (0.20  10.0 10.00   5.45 138.84) =   7.940%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.74 +/- 0.59   5.530% *  4.0580% (0.99   1.0  1.00   1.04   3.53) =   0.484%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.54 +/- 0.69  15.618% *  0.8251% (0.80   1.0  1.00   0.26   0.02) =   0.278%  kept
          QB    LYS+  81 - QG2   ILE  103  16.05 +/- 3.31   0.390% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG2   ILE  103  13.80 +/- 2.55   0.294% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.71 +/- 2.53   0.217% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.48 +/- 2.55   0.138% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.93 +/- 2.80   0.087% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  16.04 +/- 3.33   0.166% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.68 +/- 2.60   0.167% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  14.52 +/- 3.01   0.213% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  18.37 +/- 2.76   0.113% *  0.0325% (0.41   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 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 = 0.922, support = 4.88, residual support = 138.7:
    *   T HA    ILE  103 - QD1   ILE  103   3.25 +/- 0.53  79.368% * 97.5411% (0.92 10.00   4.88 138.84) =  99.889%  kept
          HA    ASP-  86 - QD1   ILE  103  12.11 +/- 4.71   5.092% *  1.1579% (0.26  1.00   0.85   0.02) =   0.076%
        T HA    THR   39 - QD1   ILE  103  12.94 +/- 2.64   2.250% *  0.7083% (0.67 10.00   0.02   0.02) =   0.021%
          HA    ASP-  44 - QD1   ILE  103  10.07 +/- 1.74   4.309% *  0.0923% (0.87  1.00   0.02   0.02) =   0.005%
          HA    SER   85 - QD1   ILE  103  12.88 +/- 4.25   3.062% *  0.0956% (0.90  1.00   0.02   0.02) =   0.004%
          HB    THR   77 - QD1   ILE  103  14.26 +/- 3.63   2.796% *  0.0956% (0.90  1.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QD1   ILE  103  16.45 +/- 4.02   1.137% *  0.0781% (0.74  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   ILE  103  25.15 +/- 3.55   0.247% *  0.0900% (0.85  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.06 +/- 2.74   0.354% *  0.0592% (0.56  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.48 +/- 3.08   0.587% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.11 +/- 3.37   0.512% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  24.02 +/- 3.52   0.285% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.787, support = 4.69, residual support = 138.8:
    * O T HB    ILE  103 - QD1   ILE  103   2.30 +/- 0.35  40.634% * 82.9317% (0.92  10.0 10.00   4.71 138.84) =  81.569%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  46.340% * 16.4121% (0.18  10.0 10.00   4.62 138.84) =  18.409%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.06 +/- 1.17   8.683% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.014%
          HB3   ASP- 105 - QD1   ILE  103   7.54 +/- 1.03   1.607% *  0.0822% (0.91   1.0  1.00   0.02   3.53) =   0.003%
          QB    LYS+  81 - QD1   ILE  103  15.09 +/- 4.08   1.501% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - QD1   ILE  103  13.43 +/- 3.17   0.317% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   ILE  103  13.93 +/- 2.55   0.212% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.27 +/- 2.66   0.121% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.84 +/- 3.09   0.082% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  14.40 +/- 2.96   0.194% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  17.17 +/- 2.66   0.124% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.14 +/- 2.94   0.093% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  19.25 +/- 2.63   0.092% *  0.0341% (0.38   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 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 = 0.865, support = 5.98, residual support = 215.1:
    * O T HB2   LEU  104 - HA    LEU  104   2.94 +/- 0.12  94.007% * 99.7433% (0.87  10.0 10.00   5.98 215.12) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.60 +/- 0.84   2.100% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  14.39 +/- 2.93   1.200% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HA    LEU  104  16.64 +/- 3.96   2.161% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  19.50 +/- 2.81   0.531% *  0.0605% (0.52   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 215.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.38 +/- 0.17  93.488% * 99.4463% (0.76  10.0 10.00   5.31 215.12) =  99.993%  kept
          QD1   LEU   71 - HA    LEU  104  14.21 +/- 4.04   1.223% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU  104  16.77 +/- 4.55   2.901% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HA    LEU  104  12.30 +/- 3.35   1.154% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU  104  14.79 +/- 4.91   0.841% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.00 +/- 2.25   0.391% *  0.1167% (0.89   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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 215.1:
    * O T HG    LEU  104 - HA    LEU  104   3.08 +/- 0.40  83.214% * 99.5259% (1.00  10.0 10.00   5.72 215.12) =  99.988%  kept
          HB3   LYS+ 121 - HA    LEU  104  12.65 +/- 6.69   4.954% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HA    LEU  104  12.32 +/- 7.10   5.235% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  66 - HA    LEU  104  19.28 +/- 4.36   1.492% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  19.09 +/- 3.67   0.808% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LEU  104  18.14 +/- 3.87   2.721% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HA    LEU  104  18.84 +/- 4.14   0.919% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  21.34 +/- 1.94   0.305% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.95 +/- 2.99   0.351% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 5.3, residual support = 215.0:
    *   T QD1   LEU  104 - HA    LEU  104   3.88 +/- 0.17  85.264% * 98.8828% (0.96 10.00   5.31 215.12) =  99.954%  kept
        T QD1   LEU   63 - HA    LEU  104  13.83 +/- 3.56   4.192% *  0.4212% (0.41 10.00   0.02   0.02) =   0.021%
        T QD1   LEU   73 - HA    LEU  104  14.62 +/- 3.31   4.140% *  0.4212% (0.41 10.00   0.02   0.02) =   0.021%
          QD2   LEU  115 - HA    LEU  104  13.75 +/- 1.56   2.182% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU  104  17.19 +/- 3.20   1.303% *  0.0889% (0.87  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  104  19.96 +/- 3.53   0.829% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  14.66 +/- 2.09   2.091% *  0.0255% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.36 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 5.62, residual support = 209.2:
    *   T QD2   LEU  104 - HA    LEU  104   2.75 +/- 0.53  84.018% * 76.8525% (1.00 10.00   5.73 215.12) =  97.088%  kept
        T QD1   LEU   98 - HA    LEU  104   6.22 +/- 0.70   8.603% * 22.4071% (0.31 10.00   1.89  10.64) =   2.899%  kept
        T QG1   VAL   41 - HA    LEU  104   9.91 +/- 3.27   3.113% *  0.1521% (0.20 10.00   0.02   0.02) =   0.007%
        T QG2   VAL   18 - HA    LEU  104  16.38 +/- 2.71   0.683% *  0.4351% (0.56 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    LEU  104  10.08 +/- 1.54   2.428% *  0.0262% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU  104  16.77 +/- 3.71   0.654% *  0.0742% (0.96  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  17.21 +/- 1.81   0.500% *  0.0528% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 215.1:
    * O T HA    LEU  104 - HB2   LEU  104   2.94 +/- 0.12  98.021% * 99.7454% (0.87  10.0 10.00   5.98 215.12) =  99.999%  kept
          HA    GLU-  14 - HB2   LEU  104  23.32 +/- 5.68   0.611% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  16.20 +/- 3.15   0.785% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  19.88 +/- 3.17   0.375% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.37 +/- 5.12   0.209% *  0.0647% (0.56   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 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 = 5.39, residual support = 215.1:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  84.067% * 99.4463% (0.66  10.0 10.00   5.39 215.12) =  99.987%  kept
          HB3   LEU   63 - HB2   LEU  104  14.43 +/- 4.99  13.215% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU   71 - HB2   LEU  104  12.69 +/- 4.44   1.342% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HB2   LEU  104  10.39 +/- 3.85   0.764% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  13.44 +/- 4.94   0.421% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  104  14.26 +/- 2.72   0.191% *  0.1167% (0.78   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 215.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.76 +/- 0.23  73.724% * 99.5259% (0.87  10.0 10.00   5.93 215.12) =  99.977%  kept
          HB3   LYS+ 121 - HB2   LEU  104  11.32 +/- 6.80  11.878% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.016%
          HD2   LYS+ 121 - HB2   LEU  104  10.84 +/- 7.14   9.086% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.004%
          QD    LYS+  66 - HB2   LEU  104  17.38 +/- 4.39   1.486% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HB2   LEU  104  16.82 +/- 4.01   2.219% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB2   LEU  104  18.26 +/- 3.46   0.434% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   LEU  104  19.51 +/- 2.26   0.242% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.49 +/- 4.13   0.444% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.79 +/- 3.24   0.486% *  0.0248% (0.22   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.39, residual support = 215.1:
    * O T QD1   LEU  104 - HB2   LEU  104   2.25 +/- 0.23  92.301% * 98.8828% (0.84  10.0 10.00   5.39 215.12) =  99.971%  kept
        T QD1   LEU   63 - HB2   LEU  104  11.92 +/- 3.89   3.796% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.018%
        T QD1   LEU   73 - HB2   LEU  104  13.28 +/- 3.72   2.262% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU  115 - HB2   LEU  104  12.46 +/- 1.55   0.658% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  16.65 +/- 2.53   0.296% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  19.18 +/- 3.12   0.213% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.03 +/- 1.74   0.475% *  0.0255% (0.22   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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 6.02, residual support = 213.6:
    * O T QD2   LEU  104 - HB2   LEU  104   2.84 +/- 0.40  74.638% * 93.7793% (0.87  10.0 10.00   6.04 215.12) =  99.243%  kept
          QD1   LEU   98 - HB2   LEU  104   6.32 +/- 0.77   9.599% *  5.3173% (0.27   1.0  1.00   3.67  10.64) =   0.724%  kept
        T QG1   VAL   41 - HB2   LEU  104   8.86 +/- 3.60   8.545% *  0.1856% (0.17   1.0 10.00   0.02   0.02) =   0.022%
        T QG2   VAL   18 - HB2   LEU  104  14.59 +/- 3.13   0.863% *  0.5309% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   19 - HB2   LEU  104  15.20 +/- 4.14   1.630% *  0.0905% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB2   LEU  104   9.12 +/- 1.76   4.134% *  0.0320% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB2   LEU  104  15.85 +/- 1.95   0.592% *  0.0644% (0.60   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 215.1:
    * O T HA    LEU  104 - HB3   LEU  104   2.38 +/- 0.17  98.955% * 99.7454% (0.76  10.0 10.00   5.31 215.12) =  99.999%  kept
          HA    GLU-  14 - HB3   LEU  104  23.79 +/- 5.80   0.325% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  17.13 +/- 3.41   0.407% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.76 +/- 3.48   0.195% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.81 +/- 5.25   0.117% *  0.0647% (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 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.39, residual support = 215.1:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  97.773% * 99.7433% (0.66  10.0 10.00   5.39 215.12) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.37 +/- 0.62   0.371% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.34 +/- 4.50   1.389% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  13.55 +/- 3.43   0.345% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.20 +/- 3.02   0.123% *  0.0605% (0.40   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 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 = 5.23, residual support = 215.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.77 +/- 0.27  71.574% * 99.5259% (0.76  10.0 10.00   5.23 215.12) =  99.975%  kept
          HB3   LYS+ 121 - HB3   LEU  104  11.80 +/- 7.14  12.571% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.018%
          HD2   LYS+ 121 - HB3   LEU  104  11.32 +/- 7.51   9.058% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.004%
          QD    LYS+  66 - HB3   LEU  104  18.04 +/- 4.71   1.683% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HB3   LEU  104  17.47 +/- 4.09   3.437% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB3   LEU  104  19.21 +/- 3.46   0.338% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  17.91 +/- 4.29   0.706% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.57 +/- 2.23   0.226% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.79 +/- 3.47   0.407% *  0.0248% (0.19   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 215.1:
    * O T QD1   LEU  104 - HB3   LEU  104   2.51 +/- 0.29  93.630% * 98.8828% (0.74  10.0 10.00   5.00 215.12) =  99.979%  kept
        T QD1   LEU   63 - HB3   LEU  104  12.82 +/- 3.85   2.348% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   73 - HB3   LEU  104  14.09 +/- 3.55   2.018% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU  115 - HB3   LEU  104  13.29 +/- 1.77   0.834% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU  104  17.48 +/- 2.77   0.349% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  20.04 +/- 3.50   0.276% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.99 +/- 1.73   0.545% *  0.0255% (0.19   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.32, residual support = 214.7:
    * O T QD2   LEU  104 - HB3   LEU  104   2.59 +/- 0.50  84.152% * 96.8412% (0.76  10.0 10.00   5.33 215.12) =  99.799%  kept
          QD1   LEU   98 - HB3   LEU  104   6.89 +/- 0.73   6.635% *  2.2259% (0.24   1.0  1.00   1.49  10.64) =   0.181%  kept
        T QG1   VAL   41 - HB3   LEU  104   9.36 +/- 3.59   4.821% *  0.1916% (0.15   1.0 10.00   0.02   0.02) =   0.011%
        T QG2   VAL   18 - HB3   LEU  104  15.37 +/- 3.13   0.958% *  0.5483% (0.43   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HB3   LEU  104  10.11 +/- 1.77   2.327% *  0.0330% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB3   LEU  104  15.81 +/- 4.05   0.697% *  0.0935% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  16.90 +/- 1.98   0.410% *  0.0665% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 215.1:
    * O T HA    LEU  104 - HG    LEU  104   3.08 +/- 0.40  97.029% * 99.7454% (1.00  10.0 10.00   5.72 215.12) =  99.998%  kept
          HA    GLU-  14 - HG    LEU  104  22.69 +/- 5.61   0.990% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - HG    LEU  104  16.29 +/- 3.79   1.134% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HG    LEU  104  19.73 +/- 3.94   0.583% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.54 +/- 4.98   0.264% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 215.1:
    * O T HB2   LEU  104 - HG    LEU  104   2.76 +/- 0.23  93.089% * 99.7433% (0.87  10.0 10.00   5.93 215.12) =  99.997%  kept
          QG2   VAL  108 - HG    LEU  104  11.66 +/- 0.64   1.351% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   63 - HG    LEU  104  15.43 +/- 4.24   4.144% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HG    LEU  104  14.38 +/- 2.76   0.931% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HG    LEU  104  20.22 +/- 2.99   0.484% *  0.0605% (0.53   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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 215.1:
    * O T HB3   LEU  104 - HG    LEU  104   2.77 +/- 0.27  85.266% * 99.4463% (0.76  10.0 10.00   5.23 215.12) =  99.981%  kept
          QD1   LEU   71 - HG    LEU  104  12.28 +/- 4.07   5.663% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - HG    LEU  104  10.76 +/- 3.73   3.103% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   63 - HG    LEU  104  15.65 +/- 4.62   3.963% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HG    LEU  104  14.82 +/- 4.74   1.162% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  14.35 +/- 2.59   0.842% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 5.23, residual support = 215.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.10 +/- 0.02  96.360% * 98.8828% (0.97  10.0 10.00   5.23 215.12) =  99.988%  kept
        T QD1   LEU   73 - HG    LEU  104  13.03 +/- 3.52   1.256% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   63 - HG    LEU  104  12.95 +/- 3.60   1.218% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HG    LEU  104  14.06 +/- 1.41   0.354% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  16.47 +/- 3.16   0.268% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  19.08 +/- 3.47   0.177% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.61 +/- 2.17   0.366% *  0.0255% (0.25   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 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.72, residual support = 214.2:
    * O T QD2   LEU  104 - HG    LEU  104   2.10 +/- 0.01  85.686% * 94.6755% (1.00  10.0 10.00   5.73 215.12) =  99.564%  kept
          QD1   LEU   98 - HG    LEU  104   5.25 +/- 0.94   7.825% *  4.4124% (0.31   1.0  1.00   3.02  10.64) =   0.424%  kept
        T QG1   VAL   41 - HG    LEU  104   7.96 +/- 3.36   3.855% *  0.1874% (0.20   1.0 10.00   0.02   0.02) =   0.009%
        T QG2   VAL   18 - HG    LEU  104  14.75 +/- 2.98   0.346% *  0.5360% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HG    LEU  104  14.80 +/- 3.76   0.591% *  0.0914% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU  104   9.09 +/- 1.72   1.496% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU  104  16.51 +/- 1.81   0.201% *  0.0650% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 215.1:
    *   T HA    LEU  104 - QD1   LEU  104   3.88 +/- 0.17  70.609% * 99.2875% (0.96 10.00   5.31 215.12) =  99.972%  kept
        T HA    LEU  104 - QD1   LEU   63  13.83 +/- 3.56   3.479% *  0.1829% (0.18 10.00   0.02   0.02) =   0.009%
        T HA    LEU  104 - QD1   LEU   73  14.62 +/- 3.31   3.438% *  0.1829% (0.18 10.00   0.02   0.02) =   0.009%
          HA    GLU-  14 - QD1   LEU  104  17.95 +/- 5.19   4.106% *  0.0760% (0.74  1.00   0.02   0.02) =   0.004%
          HA    TRP   87 - QD1   LEU  104  14.26 +/- 2.60   1.898% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  17.17 +/- 2.76   1.075% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU  104  21.23 +/- 4.55   0.861% *  0.0644% (0.62  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   73  13.13 +/- 2.88   2.685% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU   73  12.58 +/- 2.50   3.440% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  14.09 +/- 2.93   2.113% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  15.70 +/- 3.44   1.741% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.92 +/- 2.03   1.316% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  15.36 +/- 2.70   1.612% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  18.14 +/- 2.80   0.913% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.86 +/- 2.87   0.717% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.786, support = 5.29, residual support = 210.8:
    * O T HB2   LEU  104 - QD1   LEU  104   2.25 +/- 0.23  33.446% * 89.8300% (0.84  10.0 10.00   5.39 215.12) =  93.426%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  38.848% *  3.3403% (0.03  10.0 10.00   5.54 242.05) =   4.035%  kept
        T QD1   ILE  119 - QD1   LEU   63   5.53 +/- 2.54  14.806% *  5.3784% (0.10   1.0 10.00   1.00   0.37) =   2.476%  kept
        T HG    LEU   63 - QD1   LEU  104  11.91 +/- 4.04   7.792% *  0.1814% (0.17   1.0 10.00   0.02   0.02) =   0.044%
        T QD1   ILE  119 - QD1   LEU  104  11.45 +/- 2.67   0.338% *  0.5863% (0.55   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU  104 - QD1   LEU   63  11.92 +/- 3.89   0.923% *  0.1654% (0.15   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU  104 - QD1   LEU   73  13.28 +/- 3.72   0.695% *  0.1654% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   ILE  119 - QD1   LEU   73  12.88 +/- 2.14   0.476% *  0.1080% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104  10.32 +/- 0.71   0.340% *  0.0999% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QD1   LEU   63  11.35 +/- 3.07   0.496% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.85 +/- 1.70   0.270% *  0.0334% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.07 +/- 4.23   0.767% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.63 +/- 2.67   0.137% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  13.12 +/- 2.62   0.244% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  11.80 +/- 3.03   0.423% *  0.0100% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.672, support = 5.06, residual support = 217.0:
    * O T HB3   LEU  104 - QD1   LEU  104   2.51 +/- 0.29  29.078% * 88.2518% (0.74  10.0 10.00   5.00 215.12) =  90.080%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.44 +/- 0.31  31.270% *  8.7438% (0.07  10.0 10.00   5.78 242.05) =   9.598%  kept
          QG1   VAL   18 - QD1   LEU   73   6.38 +/- 2.63   2.929% *  1.5287% (0.16   1.0  1.00   1.60   0.94) =   0.157%  kept
        T HB3   LEU   63 - QD1   LEU  104  12.16 +/- 4.08   5.923% *  0.4747% (0.40   1.0 10.00   0.02   0.02) =   0.099%
          QD1   LEU   71 - QD1   LEU  104   9.49 +/- 3.76   7.643% *  0.1145% (0.96   1.0  1.00   0.02   0.02) =   0.031%
          QG1   VAL   70 - QD1   LEU  104   8.03 +/- 3.55   2.496% *  0.1114% (0.93   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   70 - QD1   LEU   63   4.81 +/- 1.37  10.391% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   LEU  104 - QD1   LEU   63  12.82 +/- 3.85   0.760% *  0.1625% (0.14   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU  104 - QD1   LEU   73  14.09 +/- 3.55   0.560% *  0.1625% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD1   LEU  104  11.70 +/- 4.31   0.750% *  0.1145% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - QD1   LEU   63   7.24 +/- 1.85   3.004% *  0.0191% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU  104  11.29 +/- 2.60   0.451% *  0.1036% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   63 - QD1   LEU   73  12.10 +/- 1.63   0.426% *  0.0874% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   8.34 +/- 2.15   1.619% *  0.0211% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   8.17 +/- 1.05   1.042% *  0.0211% (0.18   1.0  1.00   0.02   1.01) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.52 +/- 1.78   0.831% *  0.0211% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   9.29 +/- 0.85   0.671% *  0.0205% (0.17   1.0  1.00   0.02   0.67) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  15.21 +/- 1.96   0.156% *  0.0211% (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 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 215.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.10 +/- 0.02  58.199% * 98.9901% (0.97  10.0 10.00   5.23 215.12) =  99.981%  kept
          HB3   LYS+ 121 - QD1   LEU  104  10.60 +/- 5.63   2.930% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  66 - QD1   LEU  104  14.18 +/- 4.07   2.289% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU  104 - QD1   LEU   73  13.03 +/- 3.52   0.752% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  12.95 +/- 3.60   0.741% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD1   LEU  104   9.97 +/- 5.94   2.928% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QD1   LEU   73   4.56 +/- 2.52  15.991% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   7.24 +/- 1.05   2.402% *  0.0125% (0.12   1.0  1.00   0.02   6.31) =   0.001%
          QG2   THR   26 - QD1   LEU  104  13.28 +/- 3.31   1.222% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.07 +/- 0.94   1.224% *  0.0176% (0.17   1.0  1.00   0.02  41.48) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63  10.24 +/- 3.18   1.177% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.26 +/- 3.54   0.429% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.04 +/- 2.06   0.159% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.94 +/- 2.87   0.155% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   9.91 +/- 2.02   0.804% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   9.04 +/- 2.91   2.320% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.26 +/- 3.10   1.824% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.44 +/- 3.14   0.335% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  13.70 +/- 3.33   0.352% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.03 +/- 0.95   1.191% *  0.0045% (0.04   1.0  1.00   0.02   3.15) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.87 +/- 3.79   0.238% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  19.47 +/- 3.34   0.191% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  13.24 +/- 1.25   0.255% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.78 +/- 3.51   0.387% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.79 +/- 2.38   0.711% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  10.68 +/- 1.35   0.534% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.70 +/- 3.77   0.262% *  0.0056% (0.05   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 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 = 0.961, support = 5.45, residual support = 214.0:
    * O T QD2   LEU  104 - QD1   LEU  104   2.03 +/- 0.06  43.607% * 92.6769% (0.97  10.0 10.00   5.46 215.12) =  99.457%  kept
          QD1   LEU   98 - QD1   LEU  104   5.33 +/- 0.90   3.284% *  5.7495% (0.30   1.0  1.00   4.02  10.64) =   0.465%  kept
        T QG1   VAL   41 - QD1   LEU  104   6.37 +/- 3.13   8.908% *  0.1834% (0.19   1.0 10.00   0.02   0.02) =   0.040%
        T QG2   VAL   18 - QD1   LEU   73   6.77 +/- 2.36   2.814% *  0.0966% (0.10   1.0 10.00   0.02   0.94) =   0.007%
        T QG2   VAL   18 - QD1   LEU  104  11.59 +/- 2.92   0.437% *  0.5247% (0.55   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU  104 - QD1   LEU   63  10.90 +/- 2.75   1.070% *  0.1707% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   41 - QD1   LEU   73   6.60 +/- 2.54   5.223% *  0.0338% (0.04   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   VAL   18 - QD1   LEU   63   7.16 +/- 1.51   1.556% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - QD1   LEU   73   5.59 +/- 2.30   6.131% *  0.0165% (0.17   1.0  1.00   0.02   5.40) =   0.002%
        T QD2   LEU  104 - QD1   LEU   73  11.24 +/- 2.62   0.581% *  0.1707% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU  104  11.69 +/- 3.67   0.888% *  0.0894% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QD1   LEU   73   9.05 +/- 2.62   6.198% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU   73   5.99 +/- 2.97  12.146% *  0.0058% (0.06   1.0  1.00   0.02   4.69) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   7.77 +/- 1.60   1.053% *  0.0316% (0.33   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   9.53 +/- 2.41   0.863% *  0.0338% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   63   8.09 +/- 1.92   1.128% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  13.61 +/- 1.82   0.176% *  0.0637% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.25 +/- 2.74   1.532% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.65 +/- 1.76   0.493% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   8.86 +/- 2.67   1.147% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  11.02 +/- 3.25   0.765% *  0.0053% (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 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.73, residual support = 215.1:
    *   T HA    LEU  104 - QD2   LEU  104   2.75 +/- 0.53  82.873% * 99.4871% (1.00 10.00   5.73 215.12) =  99.994%  kept
        T HA    LEU  104 - QG1   VAL   41   9.91 +/- 3.27   3.079% *  0.0534% (0.05 10.00   0.02   0.02) =   0.002%
        T HA    LEU  104 - QG2   VAL   18  16.38 +/- 2.71   0.675% *  0.1529% (0.15 10.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD2   LEU  104  14.00 +/- 3.47   1.553% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  16.90 +/- 3.73   0.801% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  18.78 +/- 4.73   0.553% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18  10.09 +/- 0.99   2.535% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.07 +/- 2.32   2.294% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  21.93 +/- 4.41   0.268% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  13.02 +/- 3.03   1.436% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.58 +/- 2.51   0.345% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  16.63 +/- 2.34   0.505% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.04 +/- 3.64   0.960% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  15.88 +/- 3.71   0.865% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.62 +/- 3.13   1.258% *  0.0024% (0.02  1.00   0.02   0.35) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 215.1:
    * O T HB2   LEU  104 - QD2   LEU  104   2.84 +/- 0.40  67.615% * 99.4846% (0.87  10.0 10.00   6.04 215.12) =  99.985%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.86 +/- 3.60   7.915% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL  108 - QD2   LEU  104  10.15 +/- 0.93   1.594% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QG2   VAL   18  14.59 +/- 3.13   0.782% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QD2   LEU  104  12.12 +/- 2.59   1.212% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - QD2   LEU  104  13.00 +/- 3.40   3.006% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU  104  17.09 +/- 2.74   0.609% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - QG2   VAL   18   7.86 +/- 2.03   9.262% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18  10.53 +/- 2.52   2.373% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  14.70 +/- 1.72   0.681% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.40 +/- 1.93   1.171% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  17.19 +/- 3.36   0.722% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.81 +/- 1.99   0.920% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.27 +/- 2.54   1.831% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  18.89 +/- 2.55   0.304% *  0.0032% (0.03   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 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.624, support = 5.03, residual support = 184.1:
    * O T HB3   LEU  104 - QD2   LEU  104   2.59 +/- 0.50  29.307% * 83.2929% (0.76  10.0 10.00   5.33 215.12) =  77.701%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.04  46.559% * 15.0197% (0.14  10.0 10.00   4.00  76.22) =  22.259%  kept
          QD1   LEU   71 - QG1   VAL   41   6.02 +/- 2.06   5.434% *  0.0486% (0.05   1.0  1.00   0.17   2.81) =   0.008%
        T QG1   VAL   18 - QD2   LEU  104  12.22 +/- 1.88   0.269% *  0.9775% (0.90   1.0 10.00   0.02   0.02) =   0.008%
          HB3   LEU   63 - QD2   LEU  104  13.20 +/- 3.70   3.440% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD2   LEU  104  10.12 +/- 3.28   1.199% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QD2   LEU  104   8.85 +/- 2.86   1.170% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T QG1   VAL   18 - QG1   VAL   41   8.27 +/- 2.16   1.645% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QG1   VAL   41   9.36 +/- 3.59   1.764% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD2   LEU  104  12.39 +/- 4.11   0.432% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG2   VAL   18   6.60 +/- 1.32   2.046% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  15.37 +/- 3.13   0.192% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   7.32 +/- 1.29   1.340% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.82 +/- 1.53   2.548% *  0.0056% (0.05   1.0  1.00   0.02   2.61) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  12.36 +/- 3.41   0.675% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   8.24 +/- 2.41   1.247% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.42 +/- 2.80   0.526% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.87 +/- 2.59   0.207% *  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 = 5.73, residual support = 215.0:
    * O T HG    LEU  104 - QD2   LEU  104   2.10 +/- 0.01  56.774% * 98.9364% (1.00  10.0 10.00   5.73 215.12) =  99.962%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.82 +/- 3.49  13.085% *  0.0584% (0.04   1.0  1.00   0.31   0.02) =   0.014%
          QD    LYS+  66 - QG2   VAL   18   7.94 +/- 2.86   2.840% *  0.2312% (0.11   1.0  1.00   0.44   0.02) =   0.012%
          HB3   LYS+ 121 - QD2   LEU  104  11.16 +/- 5.35   1.879% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU  104 - QG1   VAL   41   7.96 +/- 3.36   2.592% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QG2   VAL   18   6.29 +/- 3.34   7.704% *  0.0147% (0.15   1.0  1.00   0.02   1.39) =   0.002%
          HD2   LYS+ 121 - QD2   LEU  104  10.62 +/- 5.60   1.729% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD2   LEU  104  15.20 +/- 3.51   0.662% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  14.75 +/- 2.98   0.232% *  0.1520% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - QD2   LEU  104  13.86 +/- 3.29   0.528% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.00 +/- 2.38   1.288% *  0.0151% (0.01   1.0  1.00   0.29   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  17.21 +/- 3.00   0.183% *  0.0970% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.02 +/- 2.98   0.700% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.94 +/- 1.62   0.121% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.89 +/- 1.66   3.839% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.62 +/- 2.34   2.485% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.63 +/- 4.03   0.300% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.58 +/- 2.57   0.175% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  10.68 +/- 2.12   0.578% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.44 +/- 4.14   0.483% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  14.29 +/- 3.97   0.314% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.95 +/- 2.01   0.305% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  19.33 +/- 2.42   0.091% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.05 +/- 1.71   0.302% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.09 +/- 4.13   0.454% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.85 +/- 2.24   0.080% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.22 +/- 1.65   0.276% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 215.0:
    * O T QD1   LEU  104 - QD2   LEU  104   2.03 +/- 0.06  64.187% * 98.4528% (0.97  10.0 10.00   5.46 215.12) =  99.961%  kept
        T QD1   LEU  104 - QG1   VAL   41   6.37 +/- 3.13  12.709% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   63 - QD2   LEU  104  10.90 +/- 2.75   1.494% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU   73 - QD2   LEU  104  11.24 +/- 2.62   0.854% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   73 - QG2   VAL   18   6.77 +/- 2.36   4.115% *  0.0644% (0.06   1.0 10.00   0.02   0.94) =   0.004%
        T QD1   LEU   73 - QG1   VAL   41   6.60 +/- 2.54   7.445% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - QG2   VAL   18   7.16 +/- 1.51   2.258% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - QG2   VAL   18  11.59 +/- 2.92   0.630% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - QD2   LEU  104  11.92 +/- 1.40   0.381% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.53 +/- 2.41   1.229% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.18 +/- 2.94   0.255% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  16.37 +/- 3.32   0.178% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  12.54 +/- 2.11   0.426% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  11.72 +/- 1.95   0.540% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  12.17 +/- 3.62   0.471% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.35 +/- 2.84   0.362% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  11.80 +/- 3.82   0.780% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  13.43 +/- 4.61   0.680% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  12.38 +/- 2.59   0.353% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.18 +/- 1.31   0.264% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  12.12 +/- 1.87   0.389% *  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 = 3.16, residual support = 41.7:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.81 +/- 0.18  91.809% * 99.5527% (0.95  10.0 10.00   3.16  41.70) =  99.995%  kept
          HB2   MET   96 - HA    ASP- 105   8.93 +/- 0.66   3.112% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    ASP- 105  13.88 +/- 1.49   0.922% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP- 105  12.83 +/- 3.78   1.936% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  20.33 +/- 2.18   0.298% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.80 +/- 1.85   0.358% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.20 +/- 3.96   0.398% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  15.19 +/- 2.92   0.760% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.28 +/- 3.19   0.406% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 3.16, residual support = 41.7:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.81 +/- 0.18  98.142% * 99.7814% (0.95  10.0 10.00   3.16  41.70) =  99.999%  kept
          HB    THR   23 - HB2   ASP- 105  23.65 +/- 4.54   0.553% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB2   ASP- 105  21.67 +/- 3.41   0.315% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  22.63 +/- 4.61   0.608% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  21.14 +/- 3.40   0.381% *  0.0154% (0.15   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 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 = 0.997, support = 6.28, residual support = 132.4:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.30 +/- 0.16  85.130% * 81.8428% (1.00  10.0 10.00   6.31 134.86) =  97.816%  kept
          HB3   ASP- 105 - HA    LYS+ 106   5.05 +/- 0.37   8.847% * 17.5402% (0.87   1.0  1.00   4.94  23.52) =   2.179%  kept
          HB    ILE  103 - HA    LYS+ 106   7.44 +/- 0.63   2.767% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HA    LYS+ 106  13.86 +/- 2.77   0.671% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LYS+ 106  14.42 +/- 3.18   0.550% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  17.59 +/- 3.04   0.301% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.44 +/- 2.97   0.233% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.97 +/- 2.57   0.175% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.74 +/- 2.88   0.182% *  0.0684% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  14.04 +/- 1.24   0.436% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.55 +/- 2.77   0.160% *  0.0496% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.62 +/- 2.73   0.233% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.89 +/- 3.04   0.313% *  0.0126% (0.15   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 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 134.8:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.46 +/- 0.51  93.115% * 98.2431% (1.00  10.0 10.00   5.09 134.86) =  99.984%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.40 +/- 2.38   0.934% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  33 - HA    LYS+ 106  20.18 +/- 2.80   0.667% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HA    LYS+ 106  12.57 +/- 3.09   4.393% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  17.50 +/- 2.00   0.892% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 134.8:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.77 +/- 0.37  72.925% * 98.5750% (1.00 10.00   4.80 134.86) =  99.941%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.53 +/- 0.87   2.929% *  0.9836% (1.00 10.00   0.02   0.02) =   0.040%
          HD2   LYS+ 111 - HA    LYS+ 106  14.12 +/- 2.99   5.014% *  0.0716% (0.73  1.00   0.02   0.02) =   0.005%
          HB2   LEU   73 - HA    LYS+ 106  15.98 +/- 3.35   3.229% *  0.0932% (0.95  1.00   0.02   0.02) =   0.004%
          QG1   ILE   56 - HA    LYS+ 106  11.93 +/- 2.60   4.159% *  0.0480% (0.49  1.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HA    LYS+ 106  13.31 +/- 1.29   1.955% *  0.0823% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.12 +/- 0.41   3.114% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+ 106  12.43 +/- 1.33   2.455% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+ 106  11.64 +/- 1.22   2.890% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  16.15 +/- 3.38   1.330% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.1, residual support = 119.2:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.64 +/- 0.46  48.664% * 86.4662% (1.00 10.00   5.22 134.86) =  87.291%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.76 +/- 0.91  45.756% * 13.3809% (0.73  1.00   4.26  11.54) =  12.701%  kept
          HB3   PHE   60 - HA    LYS+ 106  13.42 +/- 2.65   2.811% *  0.0818% (0.95  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+ 106  16.92 +/- 3.28   2.176% *  0.0594% (0.69  1.00   0.02   0.02) =   0.003%
          HB2   ASN   35 - HA    LYS+ 106  21.39 +/- 3.22   0.591% *  0.0117% (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 = 134.9:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.30 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   6.31 134.86) = 100.000%  kept
    Distance limit 3.45 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 = 5.39, residual support = 134.8:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.13  96.662% * 98.2431% (1.00  10.0 10.00   5.39 134.86) =  99.994%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.53 +/- 2.35   0.414% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QB    LYS+ 106  19.07 +/- 2.73   0.207% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  11.57 +/- 2.91   2.427% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  16.81 +/- 1.83   0.289% *  0.0172% (0.18   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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 134.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.27 +/- 0.16  91.964% * 97.1433% (1.00  10.0 10.00   5.08 134.86) =  99.969%  kept
        T HD2   LYS+ 111 - QB    LYS+ 106  12.66 +/- 2.76   1.523% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  99 - QB    LYS+ 106  11.03 +/- 1.00   0.911% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QG1   ILE   56 - QB    LYS+ 106  11.90 +/- 2.27   0.989% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU  123 - QB    LYS+ 106  15.91 +/- 2.85   0.356% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QB    LYS+ 106  12.17 +/- 1.37   0.718% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  15.41 +/- 3.05   0.453% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.69 +/- 0.72   0.950% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.92 +/- 1.21   1.347% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.70 +/- 1.15   0.789% *  0.0399% (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 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.943, support = 4.83, residual support = 109.1:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.93 +/- 0.68  71.526% * 57.8731% (1.00 10.00   5.51 134.86) =  79.129%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.51 +/- 1.29  25.978% * 42.0245% (0.73 10.00   2.28  11.54) =  20.869%  kept
          HB3   PHE   60 - QB    LYS+ 106  13.65 +/- 2.46   1.179% *  0.0547% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QB    LYS+ 106  15.89 +/- 3.29   0.900% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  19.91 +/- 3.39   0.417% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 5.09, residual support = 134.8:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.46 +/- 0.51  98.309% * 99.1803% (1.00  10.0 10.00   5.09 134.86) =  99.993%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.18 +/- 2.80   0.704% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 106 - QG    LYS+  81  17.40 +/- 2.38   0.986% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.32 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 = 0.747, support = 5.37, residual support = 136.0:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.13  26.702% * 48.8860% (1.00  10.0 10.00   5.39 134.86) =  52.544%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.09  28.182% * 28.0460% (0.57  10.0 10.00   5.63 154.54) =  31.815%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  34.632% * 10.7324% (0.22  10.0 10.00   4.81 105.78) =  14.961%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.30 +/- 0.89   1.649% * 10.0492% (0.87   1.0  1.00   4.74  23.52) =   0.667%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.57 +/- 1.14   2.793% *  0.0391% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  81 - HG2   LYS+ 106  18.13 +/- 3.75   0.095% *  0.4878% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  33   5.55 +/- 0.66   2.204% *  0.0122% (0.25   1.0  1.00   0.02   0.28) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  19.32 +/- 2.80   0.053% *  0.4624% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.07 +/- 2.73   0.055% *  0.2965% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - QG    LYS+  81  15.53 +/- 2.35   0.107% *  0.1076% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.32 +/- 4.89   0.036% *  0.2958% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.36 +/- 2.88   0.996% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.35 +/- 3.36   0.170% *  0.0479% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.52 +/- 4.13   0.046% *  0.1018% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.37 +/- 1.20   0.247% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.26 +/- 3.34   0.087% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.95 +/- 3.71   0.136% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.27 +/- 3.38   0.042% *  0.0408% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.67 +/- 3.32   0.046% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.88 +/- 3.85   0.068% *  0.0237% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.32 +/- 3.21   0.063% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.33 +/- 3.54   0.522% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.20 +/- 3.13   0.074% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.88 +/- 3.23   0.047% *  0.0297% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.70 +/- 1.80   0.095% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.58 +/- 3.27   0.077% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.54 +/- 3.31   0.085% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.82 +/- 3.80   0.079% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.52 +/- 3.48   0.028% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.49 +/- 3.01   0.019% *  0.0291% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.62 +/- 3.01   0.062% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.47 +/- 4.07   0.019% *  0.0248% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.63 +/- 3.35   0.059% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  20.71 +/- 4.28   0.233% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.02 +/- 4.87   0.083% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.17 +/- 3.57   0.033% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.17 +/- 3.57   0.042% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.51 +/- 2.53   0.019% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.49 +/- 3.04   0.017% *  0.0065% (0.13   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 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 = 4.16, residual support = 134.8:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.41 +/- 0.13  78.954% * 96.6493% (1.00  10.0 10.00   4.17 134.86) =  99.956%  kept
        T QD    LYS+  99 - HG2   LYS+  33  13.86 +/- 3.90   2.701% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.021%
        T QD    LYS+  99 - HG2   LYS+ 106  11.43 +/- 1.35   0.909% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.011%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.61 +/- 3.82   2.960% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QG    LYS+  81  22.08 +/- 3.89   0.588% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG2   LYS+  33  10.28 +/- 3.80   2.232% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG2   LYS+  33  19.34 +/- 3.14   0.192% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QG    LYS+  81  16.05 +/- 2.87   0.347% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 106   9.96 +/- 1.86   1.969% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+ 106  17.37 +/- 2.91   0.369% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  10.95 +/- 1.01   0.906% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  15.14 +/- 1.75   0.382% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.60 +/- 3.27   1.362% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  14.46 +/- 2.87   0.506% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  15.07 +/- 4.05   0.822% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.62 +/- 1.54   0.406% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  19.96 +/- 4.92   0.881% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  18.39 +/- 3.85   0.242% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.81 +/- 2.24   0.339% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.48 +/- 4.27   0.423% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.80 +/- 2.37   0.652% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  15.92 +/- 2.67   0.407% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  24.35 +/- 4.56   0.150% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.40 +/- 2.80   0.136% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.79 +/- 2.54   0.076% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  22.94 +/- 3.95   0.433% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.27 +/- 3.85   0.054% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.42 +/- 2.38   0.082% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  25.19 +/- 4.74   0.206% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.74 +/- 4.67   0.313% *  0.0053% (0.05   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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.995, support = 4.53, residual support = 132.8:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.42 +/- 0.42  75.343% * 91.9877% (1.00  10.0 10.00   4.57 134.86) =  98.332%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.82 +/- 1.22  16.981% *  6.8997% (0.73   1.0  1.00   2.07  11.54) =   1.662%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  19.71 +/- 3.18   0.187% *  0.5579% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 106 - QG    LYS+  81  16.59 +/- 3.15   0.395% *  0.2024% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  33   9.85 +/- 0.82   1.592% *  0.0383% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  16.11 +/- 3.22   0.466% *  0.0870% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+ 106  17.55 +/- 3.39   0.321% *  0.0632% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.35 +/- 0.71   2.374% *  0.0076% (0.08   1.0  1.00   0.02   5.76) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  20.02 +/- 3.93   0.259% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.41 +/- 2.90   0.298% *  0.0405% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  15.73 +/- 5.59   0.764% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.97 +/- 3.23   0.395% *  0.0191% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.21 +/- 3.14   0.388% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.32 +/- 3.88   0.161% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  26.70 +/- 4.59   0.076% *  0.0027% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 134.8:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.77 +/- 0.37  96.108% * 99.1942% (0.99 10.00   4.80 134.86) =  99.967%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.53 +/- 0.87   3.892% *  0.8058% (0.81 10.00   0.02   0.02) =   0.033%
    Distance limit 5.01 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 = 0.989, support = 5.07, residual support = 133.7:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.27 +/- 0.16  64.622% * 82.8007% (0.99  10.0 10.00   5.08 134.86) =  98.994%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.48 +/- 0.86   3.628% * 14.3049% (0.86   1.0  1.00   3.98  23.52) =   0.960%  kept
          HB    ILE  103 - QD    LYS+ 106   5.60 +/- 1.59  11.975% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.015%
        T QB    LYS+ 106 - QD    LYS+  99  11.03 +/- 1.00   0.638% *  0.6726% (0.81   1.0 10.00   0.02   0.02) =   0.008%
          QB    LYS+  33 - QD    LYS+  99  12.72 +/- 3.89   3.976% *  0.0636% (0.76   1.0  1.00   0.02   0.02) =   0.005%
        T HB    ILE   56 - QD    LYS+ 106  15.46 +/- 3.04   0.297% *  0.6328% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - QD    LYS+  99  14.96 +/- 6.16   2.946% *  0.0514% (0.62   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QD    LYS+  99   8.62 +/- 1.48   2.368% *  0.0583% (0.70   1.0  1.00   0.02   0.43) =   0.003%
          HB3   LYS+  38 - QD    LYS+  99   9.78 +/- 5.60   2.923% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    ILE   56 - QD    LYS+  99  20.33 +/- 3.63   0.142% *  0.5140% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.14 +/- 0.99   1.169% *  0.0539% (0.64   1.0  1.00   0.02   0.41) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  12.34 +/- 3.47   0.769% *  0.0812% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+  99  22.20 +/- 4.33   0.654% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  99  14.14 +/- 3.29   1.581% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  16.05 +/- 3.25   0.276% *  0.0826% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  21.86 +/- 3.31   0.233% *  0.0659% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.71 +/- 3.15   0.185% *  0.0692% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.99 +/- 2.88   0.160% *  0.0783% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  13.60 +/- 2.10   0.423% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.84 +/- 2.90   0.146% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.43 +/- 3.20   0.149% *  0.0502% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.01 +/- 3.01   0.199% *  0.0340% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.94 +/- 3.80   0.084% *  0.0562% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.88 +/- 3.02   0.196% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  19.92 +/- 4.02   0.179% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.40 +/- 2.19   0.085% *  0.0187% (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 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.16, residual support = 134.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.41 +/- 0.13  91.667% * 96.1045% (0.99  10.0 10.00   4.17 134.86) =  99.957%  kept
        T HG2   LYS+  33 - QD    LYS+  99  13.86 +/- 3.90   3.136% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.021%
        T HG2   LYS+ 106 - QD    LYS+  99  11.43 +/- 1.35   1.056% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.009%
        T QG    LYS+  81 - QD    LYS+  99  22.08 +/- 3.89   0.683% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T QG    LYS+  81 - QD    LYS+ 106  16.05 +/- 2.87   0.403% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QD    LYS+ 106  19.34 +/- 3.14   0.223% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QD    LYS+ 106  12.59 +/- 3.08   2.073% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  17.76 +/- 2.65   0.368% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  19.22 +/- 1.62   0.200% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  21.29 +/- 3.43   0.190% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 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 = 0.99, support = 3.37, residual support = 134.4:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  86.447% * 92.9907% (0.99  10.0 10.00   3.38 134.86) =  99.633%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.29 +/- 1.10   4.850% *  5.9011% (0.72   1.0  1.00   1.75  11.54) =   0.355%  kept
        T QE    LYS+ 106 - QD    LYS+  99  10.99 +/- 1.59   0.863% *  0.7554% (0.81   1.0 10.00   0.02   0.02) =   0.008%
          HB2   PHE   97 - QD    LYS+  99   7.53 +/- 1.13   3.394% *  0.0549% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - QD    LYS+ 106  14.75 +/- 3.01   0.398% *  0.0880% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.83 +/- 4.75   2.862% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.31 +/- 3.19   0.352% *  0.0715% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  15.79 +/- 3.20   0.447% *  0.0519% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.39 +/- 3.08   0.252% *  0.0639% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  19.79 +/- 3.75   0.134% *  0.0126% (0.13   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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.22, residual support = 134.9:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.64 +/- 0.46 100.000% *100.0000% (1.00 10.00   5.22 134.86) = 100.000%  kept
    Distance limit 5.50 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 = 0.98, support = 5.23, residual support = 118.3:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.93 +/- 0.68  59.759% * 53.2677% (1.00 10.00   5.51 134.86) =  85.144%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.66 +/- 1.05  11.934% * 46.2059% (0.87 10.00   3.70  23.52) =  14.749%  kept
          HB    ILE  103 - QE    LYS+ 106   5.13 +/- 1.43  22.487% *  0.1676% (0.80  1.00   0.08   0.02) =   0.101%  kept
          HB3   GLN   90 - QE    LYS+ 106  12.86 +/- 3.61   1.495% *  0.0522% (0.98  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - QE    LYS+ 106  16.57 +/- 3.62   0.684% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  16.54 +/- 3.12   0.519% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  18.25 +/- 2.90   0.407% *  0.0504% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QE    LYS+ 106  18.55 +/- 3.33   0.409% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.86 +/- 3.20   0.289% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.43 +/- 3.25   0.561% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  14.49 +/- 2.09   0.731% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  19.74 +/- 2.78   0.249% *  0.0407% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.87 +/- 3.15   0.476% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 134.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.42 +/- 0.42  96.431% * 98.2431% (1.00  10.0 10.00   4.57 134.86) =  99.992%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.59 +/- 3.15   0.523% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - QE    LYS+ 106  19.71 +/- 3.18   0.257% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QE    LYS+ 106  13.49 +/- 3.23   2.473% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  18.60 +/- 2.70   0.317% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 134.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  92.655% * 98.5861% (0.99  10.0 10.00   3.38 134.86) =  99.987%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.99 +/- 1.59   0.928% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.010%
          HD2   LYS+ 111 - QE    LYS+ 106  14.31 +/- 3.28   1.028% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QE    LYS+ 106   8.81 +/- 2.14   2.851% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    LYS+ 106  10.68 +/- 1.34   0.863% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  14.09 +/- 2.00   0.378% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  13.97 +/- 2.62   0.421% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  16.81 +/- 3.06   0.258% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.80 +/- 1.66   0.385% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  17.43 +/- 3.74   0.233% *  0.0373% (0.38   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 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 = 60.2:
    * O T HB    VAL  107 - HA    VAL  107   2.91 +/- 0.12  89.189% * 99.6302% (0.73  10.0 10.00   3.31  60.19) =  99.996%  kept
          QE    LYS+ 112 - HA    VAL  107  10.11 +/- 1.52   3.427% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - HA    VAL  107  10.11 +/- 1.67   4.925% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    VAL  107  11.77 +/- 0.96   1.436% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    VAL  107  18.20 +/- 2.42   0.513% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    VAL  107  23.35 +/- 2.55   0.199% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.42 +/- 1.00   0.312% *  0.0272% (0.20   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 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HA    VAL  107 - HB    VAL  107   2.91 +/- 0.12  91.038% * 99.7511% (0.73  10.0 10.00   3.31  60.19) =  99.996%  kept
          HA    ALA   91 - HB    VAL  107  12.67 +/- 1.49   1.273% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB    VAL  107   9.49 +/- 1.24   3.687% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - HB    VAL  107  13.00 +/- 2.85   2.669% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  19.18 +/- 2.32   0.412% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  15.05 +/- 2.81   0.921% *  0.0197% (0.14   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 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 = 3.58, residual support = 65.1:
    * O T HB    VAL  108 - HA    VAL  108   2.67 +/- 0.33  85.726% * 99.4465% (1.00  10.0 10.00   3.58  65.07) =  99.986%  kept
          HB2   PRO   93 - HA    VAL  108   8.00 +/- 2.84  11.712% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.011%
          HB2   ARG+  54 - HA    VAL  108  17.03 +/- 3.02   0.932% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    VAL  108  13.27 +/- 1.86   0.865% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  21.73 +/- 3.07   0.204% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.25 +/- 0.90   0.167% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.24 +/- 2.88   0.188% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.76 +/- 2.58   0.166% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.55 +/- 4.60   0.041% *  0.0135% (0.14   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 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.62 +/- 0.09  97.691% * 99.8607% (1.00  10.0 10.00   3.97  65.07) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  15.53 +/- 3.25   0.694% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  14.97 +/- 2.02   0.611% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.39 +/- 2.68   0.533% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  16.94 +/- 2.88   0.471% *  0.0198% (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 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.62 +/- 0.51  95.356% * 99.7938% (1.00  10.0 10.00   3.30  65.07) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  11.27 +/- 1.26   1.671% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  10.80 +/- 1.41   2.148% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL  108  13.84 +/- 0.68   0.825% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.58, residual support = 64.8:
    * O T HA    VAL  108 - HB    VAL  108   2.67 +/- 0.33  85.387% * 96.1482% (1.00  10.0 10.00   3.58  65.07) =  99.567%  kept
          HA1   GLY  109 - HB    VAL  108   5.80 +/- 0.26   9.592% *  3.7057% (0.31   1.0  1.00   2.50   7.30) =   0.431%  kept
          HA    CYS   50 - HB    VAL  108  16.93 +/- 3.62   3.675% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   47 - HB    VAL  108  15.31 +/- 2.46   0.659% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB    VAL  108  19.97 +/- 3.76   0.687% *  0.0190% (0.20   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 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 = 3.75, residual support = 65.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.919% * 99.8607% (1.00  10.0 10.00   3.75  65.07) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  16.89 +/- 3.47   0.287% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  15.15 +/- 2.22   0.323% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.13 +/- 2.91   0.254% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  17.68 +/- 2.76   0.217% *  0.0198% (0.20   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 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.13 +/- 0.00  98.478% * 99.1471% (1.00  10.0 10.00   3.30  65.07) =  99.995%  kept
        T QD1   ILE  119 - HB    VAL  108  12.66 +/- 1.42   0.529% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HB    VAL  108  12.98 +/- 0.77   0.455% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.72 +/- 1.35   0.538% *  0.0372% (0.38   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 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.985, support = 3.95, residual support = 63.8:
    * O T HA    VAL  108 - QG1   VAL  108   2.62 +/- 0.09  64.975% * 95.2114% (1.00  10.0 10.00   3.97  65.07) =  97.845%  kept
          HA1   GLY  109 - QG1   VAL  108   3.48 +/- 0.29  29.296% *  4.6440% (0.31   1.0  1.00   3.16   7.30) =   2.152%  kept
          HA    CYS   50 - QG1   VAL  108  14.13 +/- 3.34   4.096% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   47 - QG1   VAL  108  12.80 +/- 2.31   0.848% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG1   VAL  108  16.50 +/- 3.43   0.785% *  0.0188% (0.20   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 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 65.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  95.625% * 99.4465% (1.00  10.0 10.00   3.75  65.07) =  99.996%  kept
          HB2   PRO   93 - QG1   VAL  108   8.73 +/- 2.54   2.814% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG1   VAL  108  16.06 +/- 2.98   0.555% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG1   VAL  108  13.30 +/- 1.58   0.448% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.59 +/- 2.95   0.147% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.31 +/- 0.91   0.133% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  20.08 +/- 2.77   0.137% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  21.22 +/- 2.06   0.107% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.22 +/- 4.02   0.035% *  0.0135% (0.14   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 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 = 65.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.02  98.151% * 99.7938% (1.00  10.0 10.00   3.44  65.07) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108  11.42 +/- 1.04   0.644% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.70 +/- 0.66   0.451% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.89 +/- 0.95   0.754% *  0.0375% (0.38   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.6:
    * O T HA    VAL  108 - QG2   VAL  108   2.62 +/- 0.51  71.270% * 96.3202% (1.00  10.0 10.00   3.30  65.07) =  99.241%  kept
          HA1   GLY  109 - QG2   VAL  108   5.10 +/- 0.37  14.722% *  3.5334% (0.31   1.0  1.00   2.38   7.30) =   0.752%  kept
          HA    CYS   50 - QG2   VAL  108  14.06 +/- 3.50  12.420% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   47 - QG2   VAL  108  12.66 +/- 2.44   0.855% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG2   VAL  108  16.58 +/- 3.50   0.734% *  0.0191% (0.20   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 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.13 +/- 0.00  95.012% * 98.6316% (1.00  10.0 10.00   3.30  65.07) =  99.991%  kept
        T HB    ILE  119 - QG2   VAL  108  12.41 +/- 1.78   0.582% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QG2   VAL  108   8.53 +/- 2.03   3.152% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - QG2   VAL  108  16.06 +/- 2.65   0.513% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG2   VAL  108  17.82 +/- 2.78   0.200% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.22 +/- 0.92   0.187% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.36 +/- 2.52   0.178% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.67 +/- 2.10   0.137% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.49 +/- 3.72   0.040% *  0.0133% (0.14   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 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.02  98.229% * 99.8607% (1.00  10.0 10.00   3.44  65.07) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  14.01 +/- 2.63   0.443% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  12.40 +/- 1.82   0.563% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  14.54 +/- 2.16   0.370% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.23 +/- 2.21   0.396% *  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 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 = 9.4:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.043% * 98.9563% (1.00  10.0 10.00   2.00   9.40) =  99.998%  kept
        T HB2   TRP   49 - HA1   GLY  109  18.09 +/- 4.37   0.215% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR  118 - HA1   GLY  109  13.16 +/- 2.33   0.343% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  15.35 +/- 3.19   0.233% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.47 +/- 1.84   0.166% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.4:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.440% * 94.0051% (1.00  10.0 10.00   2.00   9.40) =  99.731%  kept
          HA    VAL  108 - HA2   GLY  109   4.42 +/- 0.06   5.839% *  3.9868% (0.31   1.0  1.00   2.75   7.30) =   0.264%  kept
        T HA    CYS   50 - HA2   GLY  109  16.07 +/- 4.03   0.292% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HA    TRP   49 - HA2   GLY  109  19.31 +/- 3.94   0.116% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   47 - HA2   GLY  109  15.63 +/- 2.95   0.207% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  25.19 +/- 4.16   0.049% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.79 +/- 0.95   0.057% *  0.0458% (0.49   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 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 = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.02  98.292% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.996%  kept
        T QB    ALA   61 - HA    ALA  110  15.85 +/- 2.23   0.312% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HA    ALA  110  17.39 +/- 2.61   0.358% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  22.90 +/- 3.39   0.113% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  21.75 +/- 3.53   0.158% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  20.06 +/- 2.79   0.159% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  22.68 +/- 3.41   0.108% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  27.30 +/- 4.00   0.057% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  23.01 +/- 3.59   0.106% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  23.25 +/- 4.19   0.114% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  18.55 +/- 1.23   0.157% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  24.57 +/- 1.39   0.066% *  0.0304% (0.31   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 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.57:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  85.154% * 94.9688% (1.00  10.0 10.00   1.31   9.58) =  99.881%  kept
          HA    PHE   55 - QB    ALA  110  12.80 +/- 4.34   2.265% *  3.9758% (0.87   1.0  1.00   0.97   0.22) =   0.111%  kept
        T HA    ALA  110 - QB    ALA   61  15.85 +/- 2.23   0.270% *  0.7028% (0.74   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL  107 - QB    ALA  110   6.93 +/- 1.91   5.830% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    ALA  110  12.40 +/- 2.07   0.593% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QB    ALA   61  10.59 +/- 1.24   0.839% *  0.0610% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    ALA   61  10.21 +/- 2.29   2.211% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  15.38 +/- 2.59   0.506% *  0.0689% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110  10.79 +/- 2.68   1.092% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  12.99 +/- 2.22   0.558% *  0.0217% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  15.65 +/- 2.28   0.251% *  0.0264% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.40 +/- 2.15   0.432% *  0.0139% (0.15   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 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 = 0.999, support = 7.96, residual support = 314.5:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.67 +/- 0.30  80.775% * 97.7717% (1.00  10.0 10.00   7.98 315.33) =  99.730%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.74 +/- 0.68  17.349% *  1.2276% (0.57   1.0  1.00   0.44   1.64) =   0.269%  kept
        T HG3   GLN   30 - HA    LYS+ 111  26.73 +/- 2.68   0.095% *  0.4759% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  12.62 +/- 1.35   0.956% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.54 +/- 3.28   0.140% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  27.62 +/- 3.37   0.093% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  28.16 +/- 2.45   0.079% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.52 +/- 3.43   0.164% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  30.87 +/- 3.77   0.063% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  25.85 +/- 2.99   0.107% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.78 +/- 1.90   0.082% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.38 +/- 2.51   0.098% *  0.0218% (0.22   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 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.3:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.14 +/- 0.58  73.649% * 99.2615% (1.00  10.0 10.00   7.31 315.33) =  99.987%  kept
          HB3   PRO   93 - HA    LYS+ 111   9.81 +/- 3.95  17.371% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          QB    ALA   84 - HA    LYS+ 111  14.61 +/- 3.53   2.650% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 111  15.21 +/- 2.76   0.944% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+ 111  16.56 +/- 2.42   0.768% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+ 111  13.76 +/- 2.58   1.377% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  21.22 +/- 4.16   0.589% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+ 111  13.36 +/- 2.17   1.481% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.85 +/- 1.02   0.368% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.94 +/- 2.15   0.186% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.13 +/- 2.20   0.367% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.53 +/- 2.45   0.134% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.25 +/- 3.06   0.117% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.99, support = 7.29, residual support = 310.8:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.94 +/- 0.79  82.994% * 89.6157% (1.00  10.0 10.00   7.31 315.33) =  98.421%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.50 +/- 1.33  12.085% *  9.8338% (0.38   1.0  1.00   5.85  28.73) =   1.573%  kept
          HG12  ILE   89 - HA    LYS+ 111  14.64 +/- 3.50   3.321% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - HA    LYS+ 111  20.97 +/- 3.10   0.564% *  0.3363% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   71 - HA    LYS+ 111  25.25 +/- 3.42   0.263% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.37 +/- 3.99   0.252% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.41 +/- 2.11   0.225% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  26.57 +/- 3.66   0.295% *  0.0177% (0.20   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 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 315.1:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.52 +/- 0.75  55.630% * 98.3525% (1.00 10.00   6.21 315.33) =  99.924%  kept
          HG3   PRO   93 - HA    LYS+ 111   9.07 +/- 4.60  23.367% *  0.0853% (0.87  1.00   0.02   0.02) =   0.036%
          HB3   MET   92 - HA    LYS+ 111  10.57 +/- 4.83  14.842% *  0.0964% (0.98  1.00   0.02   0.02) =   0.026%
        T QD    LYS+ 102 - HA    LYS+ 111  21.86 +/- 2.21   0.371% *  0.6756% (0.69 10.00   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HA    LYS+ 111  12.54 +/- 1.76   2.957% *  0.0714% (0.73  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HA    LYS+ 111  18.55 +/- 3.12   0.560% *  0.1518% (0.15 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 111  23.13 +/- 4.17   0.635% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 111  26.89 +/- 2.78   0.182% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  18.15 +/- 0.92   0.476% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  21.48 +/- 2.28   0.450% *  0.0676% (0.69  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  21.05 +/- 4.15   0.529% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.3:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.07 +/- 0.76  86.996% * 98.5544% (1.00 10.00   6.21 315.33) =  99.983%  kept
        T QD    LYS+  65 - HA    LYS+ 111  18.55 +/- 3.12   1.952% *  0.2457% (0.25 10.00   0.02   0.02) =   0.006%
          QB    ALA   57 - HA    LYS+ 111  13.21 +/- 2.39   3.924% *  0.0983% (1.00  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  33 - HA    LYS+ 111  27.54 +/- 2.43   0.349% *  0.8839% (0.90 10.00   0.02   0.02) =   0.004%
          HD2   LYS+  74 - HA    LYS+ 111  21.10 +/- 3.77   1.360% *  0.0823% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+ 111  19.34 +/- 0.98   0.989% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.34 +/- 1.26   1.932% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  21.05 +/- 4.15   2.498% *  0.0195% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.3:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.37 +/- 0.57  97.022% * 99.8490% (1.00 10.00   5.62 315.33) =  99.997%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.15 +/- 2.03   2.382% *  0.0945% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HA    LYS+ 111  24.95 +/- 4.53   0.596% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.3:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.67 +/- 0.30  98.243% * 99.7221% (1.00  10.0 10.00   7.98 315.33) =  99.999%  kept
          HA    PRO   52 - HB2   LYS+ 111  13.55 +/- 4.35   1.503% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG3   GLN   30  26.73 +/- 2.68   0.116% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.85 +/- 3.20   0.139% *  0.0130% (0.13   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 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 = 0.997, support = 7.31, residual support = 314.4:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.85 +/- 0.20  75.777% * 94.4155% (1.00  10.0 10.00   7.31 315.33) =  99.661%  kept
          HB2   LEU   31 - HG3   GLN   30   7.55 +/- 0.66   5.212% *  4.5699% (0.20   1.0  1.00   4.86  51.52) =   0.332%  kept
          HB3   PRO   93 - HB2   LYS+ 111  11.05 +/- 3.26   4.272% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HB2   LYS+ 111  14.55 +/- 2.99   1.865% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB2   LYS+ 111  15.48 +/- 3.72   1.805% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB2   LYS+ 111  22.13 +/- 4.31   0.441% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  16.10 +/- 2.67   0.557% *  0.0686% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  17.10 +/- 2.69   0.435% *  0.0789% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.43 +/- 3.24   1.177% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.99 +/- 3.18   0.099% *  0.1898% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  17.54 +/- 6.48   0.905% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  19.46 +/- 1.43   0.254% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.86 +/- 1.80   0.892% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.54 +/- 3.52   0.774% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  25.13 +/- 3.28   0.141% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.81 +/- 2.39   0.822% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.36 +/- 1.92   0.771% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  20.60 +/- 2.74   0.254% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.73 +/- 3.24   1.117% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  28.07 +/- 2.56   0.091% *  0.0936% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.51 +/- 3.57   0.072% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  20.73 +/- 3.94   0.371% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  16.49 +/- 3.40   0.557% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.27 +/- 2.39   0.365% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.34 +/- 2.39   0.737% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.33 +/- 2.21   0.236% *  0.0059% (0.06   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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.995, support = 7.28, residual support = 313.1:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.79 +/- 0.24  59.861% * 88.4023% (1.00  10.0 10.00   7.29 315.33) =  99.225%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.57 +/- 0.82   3.974% * 10.2766% (0.38   1.0  1.00   6.19  28.73) =   0.766%  kept
        T HG2   LYS+  74 - HG3   GLN   30  10.93 +/- 2.29   1.653% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HG3   GLN   30   6.06 +/- 2.25  20.500% *  0.0035% (0.04   1.0  1.00   0.02  14.05) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  15.76 +/- 3.41   0.759% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   GLN   30   9.91 +/- 3.02   7.194% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HB2   LYS+ 111  21.84 +/- 2.84   0.149% *  0.3318% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  25.83 +/- 4.28   0.117% *  0.3634% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   8.76 +/- 2.50   4.038% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HB2   LYS+ 111  27.16 +/- 3.87   0.100% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  28.18 +/- 2.84   0.067% *  0.1777% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  15.42 +/- 3.16   0.974% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  18.48 +/- 2.64   0.252% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  25.73 +/- 3.78   0.112% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  24.57 +/- 3.23   0.116% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  25.17 +/- 4.46   0.136% *  0.0067% (0.08   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 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.2:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.56 +/- 0.50  62.270% * 97.6852% (1.00  10.0 10.00   6.62 315.33) =  99.971%  kept
          HG3   PRO   93 - HB2   LYS+ 111  10.44 +/- 3.79   6.083% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU   73 - HG3   GLN   30   5.86 +/- 3.76  19.808% *  0.0176% (0.18   1.0  1.00   0.02   5.87) =   0.006%
          HB3   MET   92 - HB2   LYS+ 111  11.88 +/- 4.14   3.026% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HB2   LYS+ 111  12.86 +/- 2.75   2.356% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HB2   LYS+ 111  22.09 +/- 3.25   0.215% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   GLN   30  17.74 +/- 3.69   0.378% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  19.19 +/- 3.01   0.303% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.80 +/- 1.87   0.626% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+ 111  27.09 +/- 3.07   0.093% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  17.67 +/- 1.63   0.291% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  13.55 +/- 2.59   0.783% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.15 +/- 2.12   0.125% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  14.73 +/- 3.05   1.416% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  23.95 +/- 4.08   0.176% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  21.59 +/- 3.32   0.216% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.56 +/- 3.14   0.065% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  23.32 +/- 4.31   0.361% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.89 +/- 4.52   0.311% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.74 +/- 3.00   0.297% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.30 +/- 2.45   0.139% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.12 +/- 6.00   0.662% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.983, support = 6.5, residual support = 309.0:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.13 +/- 0.38  67.558% * 92.1301% (1.00  10.0 10.00   6.62 315.33) =  97.980%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.32 +/- 0.96  20.512% *  6.2279% (0.18   1.0 10.00   0.75   0.28) =   2.011%  kept
        T QD    LYS+  65 - HB2   LYS+ 111  19.19 +/- 3.01   0.531% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HB2   LYS+ 111  27.98 +/- 2.72   0.114% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LYS+ 111  13.93 +/- 2.03   0.923% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  13.55 +/- 2.59   1.444% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   GLN   30  10.98 +/- 2.40   3.850% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   LYS+ 111  22.00 +/- 3.56   0.385% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  18.82 +/- 1.64   0.336% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.17 +/- 3.24   0.113% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.27 +/- 2.30   0.721% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.89 +/- 4.52   0.852% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.74 +/- 3.73   0.794% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  24.13 +/- 4.32   0.463% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.12 +/- 6.00   1.068% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  20.48 +/- 3.57   0.335% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.3:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.42 +/- 0.74  69.867% * 99.6189% (1.00 10.00   6.05 315.33) =  99.992%  kept
          HB2   CYS   21 - HG3   GLN   30   5.91 +/- 1.73  27.372% *  0.0113% (0.11  1.00   0.02   0.02) =   0.004%
          HB2   PHE   45 - HB2   LYS+ 111  14.30 +/- 1.78   1.497% *  0.0942% (0.95  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG3   GLN   30  25.88 +/- 2.65   0.221% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HG3   GLN   30  17.02 +/- 2.60   0.796% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  25.74 +/- 4.47   0.246% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 315.3:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.14 +/- 0.58  96.637% * 99.9354% (1.00  10.0 10.00   7.31 315.33) =  99.998%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.59 +/- 5.25   3.363% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.28, residual support = 313.6:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.85 +/- 0.20  78.373% * 96.9494% (1.00  10.0 10.00   7.31 315.33) =  99.463%  kept
          QB    GLU- 114 - HG2   LYS+ 111   5.60 +/- 1.54  19.881% *  2.0583% (0.57   1.0  1.00   0.75   1.64) =   0.536%  kept
        T HG3   GLN   30 - HG2   LYS+ 111  27.99 +/- 3.18   0.104% *  0.4719% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   LYS+ 111  13.76 +/- 1.52   0.796% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.09 +/- 3.34   0.120% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  29.03 +/- 3.93   0.099% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.91 +/- 4.25   0.094% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  29.34 +/- 3.14   0.084% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  27.19 +/- 3.50   0.119% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.09 +/- 3.55   0.134% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  28.52 +/- 3.52   0.094% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  27.63 +/- 2.92   0.103% *  0.0216% (0.22   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 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 = 0.999, support = 6.98, residual support = 314.9:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  98.002% * 89.3001% (1.00  10.0 10.00   6.98 315.33) =  99.841%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.11 +/- 1.48   1.501% *  9.0806% (0.38   1.0  1.00   5.42  28.73) =   0.156%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  16.01 +/- 3.37   0.277% *  0.8851% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - HG2   LYS+ 111  22.46 +/- 3.30   0.060% *  0.3352% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  25.16 +/- 3.57   0.048% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  26.78 +/- 4.05   0.040% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  26.68 +/- 3.62   0.036% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  27.88 +/- 4.16   0.035% *  0.0177% (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 = 6.2, residual support = 315.2:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.84 +/- 0.15  76.982% * 97.1375% (1.00  10.0 10.00   6.21 315.33) =  99.951%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  13.09 +/- 2.99   2.059% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.019%
          HB3   MET   92 - HG2   LYS+ 111  12.11 +/- 4.69   9.733% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.012%
          HG3   PRO   93 - HG2   LYS+ 111  10.81 +/- 4.49   9.403% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.011%
        T QD    LYS+  99 - HG2   LYS+ 111  22.11 +/- 3.63   0.291% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG2   LYS+ 111  22.24 +/- 3.65   0.249% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  20.07 +/- 2.99   0.320% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  27.84 +/- 3.26   0.101% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.98 +/- 1.46   0.282% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  24.52 +/- 4.37   0.225% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.12 +/- 4.53   0.354% *  0.0192% (0.20   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 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.3:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.47 +/- 0.24  97.764% * 97.8296% (1.00  10.0 10.00   6.21 315.33) =  99.996%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  22.57 +/- 4.02   0.201% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  20.07 +/- 2.99   0.282% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 111  14.31 +/- 2.40   0.683% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+ 111  28.66 +/- 2.78   0.075% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  20.13 +/- 1.41   0.206% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  16.47 +/- 2.09   0.486% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.12 +/- 4.53   0.304% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.3:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.84 +/- 0.53  98.514% * 99.8490% (1.00  10.0 10.00   5.62 315.33) =  99.999%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.83 +/- 2.32   1.164% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  26.31 +/- 4.74   0.322% *  0.0565% (0.57   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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.3:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.94 +/- 0.79  95.374% * 99.8218% (1.00  10.0 10.00   7.31 315.33) =  99.997%  kept
          HA    PRO   52 - HG3   LYS+ 111  13.58 +/- 5.05   3.064% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - HG2   LYS+  74  20.97 +/- 3.10   0.652% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HG2   LYS+  74  17.81 +/- 2.38   0.910% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 315.3:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.79 +/- 0.24  68.997% * 98.2440% (1.00  10.0 10.00   7.29 315.33) =  99.981%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.82 +/- 1.30  14.893% *  0.0556% (0.57   1.0  1.00   0.02   1.64) =   0.012%
        T HB    ILE   19 - HG2   LYS+  74   8.99 +/- 1.98   2.976% *  0.0511% (0.05   1.0 10.00   0.02   8.40) =   0.002%
        T HG3   GLN   30 - HG2   LYS+  74  10.93 +/- 2.29   1.873% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  27.38 +/- 3.22   0.090% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  28.18 +/- 2.84   0.078% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   LYS+  74  13.95 +/- 3.59   2.864% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  21.84 +/- 2.84   0.175% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  11.32 +/- 2.82   1.493% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  14.08 +/- 1.51   0.649% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.46 +/- 3.37   0.102% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  29.29 +/- 3.68   0.082% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.34 +/- 3.57   1.776% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  29.63 +/- 2.94   0.069% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.31 +/- 1.90   0.628% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.89 +/- 3.91   0.058% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  25.43 +/- 3.59   0.121% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.61 +/- 1.51   0.486% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.68 +/- 1.99   1.394% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  18.25 +/- 3.06   0.423% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.81 +/- 3.32   0.077% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  27.80 +/- 2.67   0.079% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.01 +/- 3.42   0.455% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.76 +/- 1.63   0.158% *  0.0029% (0.03   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 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.3:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  90.003% * 98.9181% (1.00  10.0 10.00   6.98 315.33) =  99.998%  kept
          HB3   PRO   93 - HG3   LYS+ 111  11.61 +/- 4.04   2.060% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 111  15.35 +/- 3.57   0.522% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+  74   8.12 +/- 3.46   2.183% *  0.0077% (0.08   1.0  1.00   0.02   4.30) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  22.15 +/- 4.45   0.182% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  14.44 +/- 2.70   0.307% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  17.03 +/- 2.76   0.129% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.02 +/- 2.64   0.910% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  18.38 +/- 2.63   0.095% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.77 +/- 1.71   0.067% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  22.46 +/- 3.30   0.055% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.94 +/- 1.78   0.058% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  12.55 +/- 2.59   0.368% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  26.03 +/- 3.41   0.036% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.43 +/- 2.16   0.209% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.76 +/- 1.33   0.057% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  21.27 +/- 2.80   0.063% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.72 +/- 1.36   1.485% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  28.79 +/- 2.87   0.023% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.59 +/- 1.71   0.145% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.67 +/- 3.65   0.018% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.96 +/- 1.39   0.318% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.60 +/- 2.13   0.207% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  13.68 +/- 2.73   0.260% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.49 +/- 2.18   0.157% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  19.78 +/- 3.56   0.083% *  0.0060% (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 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 = 0.998, support = 5.39, residual support = 314.6:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.79 +/- 0.22  58.282% * 94.6582% (1.00  10.0 10.00   5.40 315.33) =  99.757%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.81 +/- 0.84   4.461% *  2.1622% (0.10   1.0  1.00   4.77  41.48) =   0.174%  kept
          HB3   MET   92 - HG3   LYS+ 111  11.90 +/- 4.92  12.604% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.021%
        T QD    LYS+ 106 - HG3   LYS+ 111  13.11 +/- 3.07   1.651% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.021%
          HG3   PRO   93 - HG3   LYS+ 111  10.75 +/- 4.66  11.630% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.017%
        T QD    LYS+  99 - HG3   LYS+ 111  22.44 +/- 3.39   0.190% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  74   7.63 +/- 2.47   7.259% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.41 +/- 3.64   0.174% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG3   LYS+ 111  20.25 +/- 3.03   0.222% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  16.80 +/- 2.07   0.301% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.15 +/- 3.16   0.068% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.11 +/- 1.74   0.239% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  19.34 +/- 1.18   0.188% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.60 +/- 2.53   0.200% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  24.69 +/- 3.95   0.161% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  23.17 +/- 2.82   0.129% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  19.51 +/- 2.27   0.227% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.95 +/- 4.51   0.275% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  15.78 +/- 3.00   0.418% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  15.52 +/- 2.52   0.423% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.68 +/- 3.88   0.233% *  0.0091% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.44 +/- 2.00   0.665% *  0.0020% (0.02   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.926, support = 5.41, residual support = 304.8:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.76 +/- 0.28  44.419% * 89.7666% (1.00  10.0 10.00   5.40 315.33) =  91.846%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.77 +/- 0.18  44.115% *  8.0133% (0.09  10.0 10.00   5.54 186.70) =   8.143%  kept
        T QD    LYS+  65 - HG2   LYS+  74   7.63 +/- 2.47   7.241% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HG3   LYS+ 111  22.64 +/- 3.85   0.123% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG3   LYS+ 111  20.25 +/- 3.03   0.185% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  14.03 +/- 2.18   0.444% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 111  28.87 +/- 2.65   0.046% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+ 111  14.48 +/- 2.47   0.416% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  11.52 +/- 4.09   1.348% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.49 +/- 1.23   0.112% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  23.77 +/- 3.06   0.084% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.75 +/- 1.91   0.254% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.95 +/- 4.51   0.250% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.38 +/- 4.24   0.128% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.44 +/- 2.00   0.493% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.18 +/- 3.53   0.341% *  0.0027% (0.03   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 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.3:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.48 +/- 0.47  92.031% * 99.7265% (1.00  10.0 10.00   5.44 315.33) =  99.998%  kept
          HB2   PHE   45 - HG3   LYS+ 111  14.76 +/- 2.16   0.589% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+  74   8.22 +/- 2.22   4.946% *  0.0060% (0.06   1.0  1.00   0.02   9.98) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  20.91 +/- 2.91   0.248% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74  10.73 +/- 2.92   2.072% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  26.40 +/- 4.48   0.115% *  0.0565% (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 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.3:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.52 +/- 0.75  90.318% * 99.4172% (1.00 10.00   6.21 315.33) =  99.992%  kept
          HA    PRO   52 - HD2   LYS+ 111  14.27 +/- 4.91   4.077% *  0.0643% (0.65  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 111 - QD    LYS+  65  18.55 +/- 3.12   1.411% *  0.1523% (0.15 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  21.86 +/- 2.21   0.585% *  0.2599% (0.26 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+  38  26.89 +/- 2.78   0.302% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  15.84 +/- 2.84   2.184% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.59 +/- 3.55   0.286% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  28.38 +/- 5.38   0.835% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 6.61, residual support = 315.3:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.56 +/- 0.50  47.481% * 97.9440% (1.00  10.0 10.00   6.62 315.33) =  99.978%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.93 +/- 1.57   8.674% *  0.0555% (0.57   1.0  1.00   0.02   1.64) =   0.010%
          HB2   GLN   17 - QD    LYS+  65   9.98 +/- 4.33   5.487% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD    LYS+  38  10.92 +/- 3.44  10.469% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  13.55 +/- 2.59   0.604% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  22.09 +/- 3.25   0.157% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+ 102   7.64 +/- 1.86   4.632% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  19.19 +/- 3.01   0.220% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+ 102  17.74 +/- 3.69   0.225% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  28.56 +/- 3.14   0.046% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.73 +/- 1.25   1.525% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38   9.44 +/- 7.02   8.617% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.80 +/- 1.87   0.465% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  13.43 +/- 2.74   0.615% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  14.23 +/- 1.31   0.381% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.03 +/- 1.34   1.326% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.43 +/- 1.83   0.824% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.10 +/- 3.84   0.210% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.52 +/- 3.44   0.062% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.09 +/- 3.07   0.068% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.31 +/- 2.65   1.496% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  21.65 +/- 4.11   0.217% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.12 +/- 4.45   0.416% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.11 +/- 4.54   0.165% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  29.65 +/- 3.63   0.041% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  29.90 +/- 2.97   0.041% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.00 +/- 5.00   0.169% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  17.17 +/- 1.88   0.260% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  18.65 +/- 2.69   0.274% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.39 +/- 4.56   0.037% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.70 +/- 3.01   0.472% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.47 +/- 3.66   0.073% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  16.22 +/- 3.33   0.392% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.21 +/- 2.12   0.298% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  27.83 +/- 3.46   0.052% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.91 +/- 3.29   0.196% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.65 +/- 2.97   0.644% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.78 +/- 3.75   0.317% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.13 +/- 2.40   0.511% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  14.49 +/- 2.51   0.453% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  29.17 +/- 3.69   0.057% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  28.16 +/- 3.11   0.052% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.59 +/- 3.39   0.173% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  12.81 +/- 1.57   0.573% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.60 +/- 2.11   0.120% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.43 +/- 2.27   0.123% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.01 +/- 2.24   0.110% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  21.15 +/- 2.75   0.176% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.918, support = 6.16, residual support = 306.9:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.84 +/- 0.15  24.901% * 90.8110% (1.00  10.0 10.00   6.21 315.33) =  91.311%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.43 +/- 0.12  39.123% *  5.4729% (0.06  10.0 10.00   5.75 219.92) =   8.646%  kept
        T HG2   LYS+  99 - QD    LYS+ 102   8.33 +/- 1.47   1.464% *  0.2129% (0.23   1.0 10.00   0.02   1.51) =   0.013%
        T HB3   PRO   93 - HD2   LYS+ 111  12.30 +/- 3.25   0.679% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  99 - QD    LYS+  38   9.38 +/- 5.59   2.435% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  38 - QD    LYS+ 102  14.95 +/- 5.87   0.433% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD    LYS+  65  13.06 +/- 4.07   8.802% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.34 +/- 3.86   0.040% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.08 +/- 1.61   2.591% *  0.0106% (0.12   1.0  1.00   0.02   1.93) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65   9.42 +/- 3.32   1.818% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65   9.59 +/- 4.18   7.928% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  22.24 +/- 3.65   0.067% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.88 +/- 3.97   0.022% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  20.07 +/- 2.99   0.109% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+ 102  15.01 +/- 5.12   0.611% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HD2   LYS+ 111  14.97 +/- 3.15   0.348% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.84 +/- 0.37   1.206% *  0.0116% (0.13   1.0  1.00   0.02   3.15) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.61 +/- 2.90   0.097% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  20.24 +/- 2.49   0.082% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.02 +/- 4.27   0.108% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.11 +/- 3.61   0.289% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  17.58 +/- 2.64   0.130% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  18.82 +/- 2.52   0.108% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.13 +/- 2.09   0.815% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.65 +/- 4.97   1.287% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  14.06 +/- 4.05   0.438% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.86 +/- 3.52   0.187% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  15.86 +/- 4.18   0.283% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.84 +/- 1.32   0.067% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  20.44 +/- 5.51   0.126% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.67 +/- 3.13   0.067% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.14 +/- 1.82   0.185% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  29.14 +/- 3.21   0.025% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.52 +/- 2.54   0.154% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.74 +/- 1.95   0.123% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.45 +/- 4.15   0.253% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.31 +/- 5.74   0.150% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.84 +/- 3.26   0.029% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.29 +/- 3.63   0.241% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.01 +/- 3.63   0.398% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  13.39 +/- 4.06   0.417% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  16.82 +/- 3.88   0.204% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.12 +/- 2.71   0.193% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.56 +/- 3.36   0.246% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.04 +/- 2.69   0.144% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.95 +/- 3.14   0.133% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.55 +/- 1.85   0.073% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  24.40 +/- 4.50   0.052% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.60 +/- 3.10   0.108% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.82 +/- 2.80   0.078% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.07 +/- 2.85   0.059% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.55 +/- 1.46   0.078% *  0.0011% (0.01   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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 314.1:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.79 +/- 0.22  65.370% * 90.8399% (1.00  10.0 10.00   5.40 315.33) =  99.592%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.67 +/- 1.54   3.098% *  7.4515% (0.38   1.0  1.00   4.37  28.73) =   0.387%  kept
        T HG2   LYS+  74 - QD    LYS+  65   7.63 +/- 2.47   7.962% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  99 - QD    LYS+ 102   8.48 +/- 1.91   4.681% *  0.0810% (0.09   1.0 10.00   0.02   1.51) =   0.006%
        T HG3   LYS+  99 - QD    LYS+  38   9.61 +/- 5.25   4.179% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HD2   LYS+ 111  16.59 +/- 3.34   0.624% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.81 +/- 3.86   0.166% *  0.3099% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HD2   LYS+ 111  23.17 +/- 2.82   0.148% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.41 +/- 3.64   0.189% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  20.25 +/- 3.03   0.309% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+ 102  20.60 +/- 2.53   0.226% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.20 +/- 3.02   0.333% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  16.61 +/- 3.62   0.608% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  16.02 +/- 4.31   1.013% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.44 +/- 4.15   1.453% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  19.51 +/- 2.27   0.254% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.41 +/- 1.93   0.948% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.66 +/- 2.46   1.945% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.15 +/- 3.16   0.076% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.93 +/- 2.33   1.531% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.06 +/- 1.68   0.772% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  17.22 +/- 3.83   0.411% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  27.35 +/- 4.51   0.113% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  27.25 +/- 3.97   0.104% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.60 +/- 2.42   1.446% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  17.49 +/- 3.98   0.395% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  28.54 +/- 4.03   0.095% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.61 +/- 4.04   0.298% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  22.87 +/- 2.79   0.153% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.87 +/- 2.54   0.173% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.57 +/- 3.15   0.764% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  25.73 +/- 5.15   0.165% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.13 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 = 315.3:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.33 +/- 0.13  94.168% * 99.2899% (1.00  10.0 10.00   4.97 315.33) =  99.998%  kept
        T QE    LYS+ 111 - QD    LYS+ 102  20.58 +/- 3.36   0.249% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.72 +/- 3.04   0.299% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  12.45 +/- 4.18   2.666% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD2   LYS+ 111  15.47 +/- 1.61   0.377% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  12.55 +/- 2.00   0.866% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.97 +/- 3.87   0.466% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.74 +/- 3.15   0.088% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.93 +/- 2.37   0.263% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  26.90 +/- 4.69   0.101% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.20 +/- 2.27   0.301% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.30 +/- 2.05   0.155% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.3:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.07 +/- 0.76  87.905% * 98.7339% (1.00 10.00   6.21 315.33) =  99.986%  kept
        T HA    LYS+ 111 - QD    LYS+  65  18.55 +/- 3.12   1.971% *  0.2444% (0.25 10.00   0.02   0.02) =   0.006%
          HA    PRO   52 - HD3   LYS+ 111  14.74 +/- 5.35   5.618% *  0.0639% (0.65  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 111 - QD    LYS+  33  27.54 +/- 2.43   0.352% *  0.8848% (0.90 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - QD    LYS+  65  15.84 +/- 2.84   3.499% *  0.0158% (0.16  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  33  26.92 +/- 3.45   0.654% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.972, support = 6.33, residual support = 300.1:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.13 +/- 0.38  32.046% * 83.2583% (1.00  10.0 10.00   6.62 315.33) =  95.169%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.32 +/- 0.96   9.292% * 13.6185% (0.44   1.0 10.00   0.75   0.28) =   4.513%  kept
          HB2   GLN   30 - QD    LYS+  33   5.35 +/- 0.98  10.494% *  0.6229% (0.20   1.0  1.00   0.75   0.28) =   0.233%  kept
          QB    GLU-  15 - QD    LYS+  33   6.40 +/- 2.89  16.701% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.044%
          QB    GLU- 114 - HD3   LYS+ 111   6.45 +/- 1.90   7.072% *  0.0471% (0.57   1.0  1.00   0.02   1.64) =   0.012%
          HB    ILE   19 - QD    LYS+  33   7.07 +/- 1.93   4.851% *  0.0363% (0.44   1.0  1.00   0.02   0.02) =   0.006%
          HB2   GLN   17 - QD    LYS+  65   9.98 +/- 4.33   7.029% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - QD    LYS+  33  10.28 +/- 2.73   1.392% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LYS+ 111 - QD    LYS+  65  19.19 +/- 3.01   0.278% *  0.2061% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  13.55 +/- 2.59   0.528% *  0.1003% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  33  14.52 +/- 3.63   0.620% *  0.0647% (0.78   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  33  27.98 +/- 2.72   0.051% *  0.7461% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD    LYS+  33  12.43 +/- 0.85   0.543% *  0.0669% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.73 +/- 1.25   1.321% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  29.17 +/- 3.24   0.055% *  0.4053% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  33  14.72 +/- 4.48   0.666% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.30 +/- 3.37   0.387% *  0.0307% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.03 +/- 1.34   1.338% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  13.43 +/- 2.74   0.535% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.31 +/- 2.65   1.867% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.43 +/- 1.83   0.769% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.85 +/- 1.73   0.324% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.21 +/- 2.12   0.437% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.80 +/- 2.37   0.110% *  0.0422% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.19 +/- 3.52   0.059% *  0.0722% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  18.65 +/- 2.69   0.226% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.96 +/- 4.59   0.055% *  0.0747% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  30.22 +/- 4.02   0.044% *  0.0825% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  30.40 +/- 3.28   0.040% *  0.0825% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  28.44 +/- 3.68   0.060% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  26.15 +/- 3.78   0.066% *  0.0342% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.13 +/- 2.40   0.418% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  21.92 +/- 2.75   0.098% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.63 +/- 3.89   0.055% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  28.79 +/- 3.15   0.053% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.01 +/- 2.24   0.120% *  0.0057% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 6.2, residual support = 314.9:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.47 +/- 0.24  58.339% * 94.0228% (1.00  10.0 10.00   6.21 315.33) =  99.859%  kept
          HB2   LEU   31 - QD    LYS+  33   7.68 +/- 0.77   2.249% *  3.1302% (0.89   1.0  1.00   0.75   1.01) =   0.128%  kept
          HB3   PRO   93 - QD    LYS+  65  13.06 +/- 4.07  12.938% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    LYS+  33   9.82 +/- 1.08   1.037% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65   9.42 +/- 3.32   2.738% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65   9.59 +/- 4.18  12.222% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+  33  14.11 +/- 3.87   0.557% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.84 +/- 0.37   2.036% *  0.0194% (0.21   1.0  1.00   0.02   3.15) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  28.66 +/- 2.78   0.042% *  0.8426% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  20.07 +/- 2.99   0.147% *  0.2328% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.61 +/- 2.90   0.158% *  0.2088% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  12.96 +/- 3.72   1.019% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.24 +/- 2.49   0.128% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.43 +/- 4.73   0.247% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.62 +/- 3.23   0.288% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  15.32 +/- 3.04   0.416% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.14 +/- 2.20   0.258% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  14.77 +/- 3.50   0.413% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  20.36 +/- 5.84   0.192% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.47 +/- 3.67   0.437% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  18.28 +/- 2.80   0.181% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  19.53 +/- 2.75   0.147% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.95 +/- 4.12   0.233% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  15.86 +/- 4.18   0.416% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.52 +/- 2.54   0.309% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  19.60 +/- 2.29   0.150% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  21.22 +/- 1.55   0.104% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.29 +/- 3.63   0.409% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  18.59 +/- 3.26   0.177% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.01 +/- 3.63   0.625% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.79 +/- 4.13   0.058% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.54 +/- 2.11   0.291% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.25 +/- 3.18   0.098% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  16.82 +/- 3.88   0.341% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  29.75 +/- 3.18   0.037% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.70 +/- 2.29   0.223% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.47 +/- 4.04   0.032% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.11 +/- 2.18   0.092% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.04 +/- 2.69   0.214% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 314.1:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.76 +/- 0.28  59.042% * 90.2634% (1.00  10.0 10.00   5.40 315.33) =  99.590%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   9.07 +/- 1.37   2.703% *  7.4084% (0.38   1.0  1.00   4.37  28.73) =   0.374%  kept
        T HG2   LYS+  74 - QD    LYS+  65   7.63 +/- 2.47   9.900% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.016%
          HB3   LEU   71 - QD    LYS+  33   8.03 +/- 3.21   7.084% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   71 - QD    LYS+  33   8.89 +/- 3.29   7.427% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  33  14.03 +/- 2.18   0.620% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - QD    LYS+  33   7.34 +/- 2.22   5.541% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  65  20.25 +/- 3.03   0.242% *  0.2235% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  33  28.87 +/- 2.65   0.064% *  0.8089% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  17.16 +/- 3.39   0.444% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HD3   LYS+ 111  23.77 +/- 3.06   0.115% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD    LYS+  33  14.21 +/- 3.75   1.087% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD    LYS+  65  16.02 +/- 4.31   0.850% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.20 +/- 3.02   0.244% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  20.73 +/- 2.45   0.164% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.41 +/- 1.93   1.014% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.44 +/- 4.15   0.983% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.06 +/- 1.68   0.717% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.60 +/- 2.42   1.265% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  25.95 +/- 4.33   0.156% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  27.90 +/- 3.90   0.079% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  26.25 +/- 4.11   0.104% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  28.00 +/- 4.38   0.081% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  29.12 +/- 4.27   0.076% *  0.0179% (0.20   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 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 = 315.3:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.41 +/- 0.14  92.531% * 98.5534% (1.00  10.0 10.00   4.97 315.33) =  99.996%  kept
          HB2   CYS   21 - QD    LYS+  33   9.84 +/- 2.08   2.115% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  65  12.45 +/- 4.18   3.488% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  26.41 +/- 2.55   0.088% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.72 +/- 3.04   0.282% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  16.10 +/- 2.08   0.382% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  19.50 +/- 2.41   0.207% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  12.55 +/- 2.00   0.808% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  27.50 +/- 4.78   0.099% *  0.0558% (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 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.3:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.37 +/- 0.57  93.566% * 99.9354% (1.00 10.00   5.62 315.33) =  99.996%  kept
          HA    PRO   52 - QE    LYS+ 111  12.64 +/- 4.61   6.434% *  0.0646% (0.65  1.00   0.02   0.02) =   0.004%
    Distance limit 3.43 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.3:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.42 +/- 0.74  72.292% * 98.9314% (1.00 10.00   6.05 315.33) =  99.977%  kept
          QB    GLU- 114 - QE    LYS+ 111   6.00 +/- 1.52  23.924% *  0.0560% (0.57  1.00   0.02   1.64) =   0.019%
        T HG3   GLN   30 - QE    LYS+ 111  25.88 +/- 2.65   0.240% *  0.4816% (0.49 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QE    LYS+ 111  13.64 +/- 1.24   1.470% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.40 +/- 3.25   0.299% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  27.01 +/- 3.09   0.214% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  27.12 +/- 2.50   0.192% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  29.02 +/- 3.90   0.187% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  23.46 +/- 3.46   0.343% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  25.27 +/- 2.98   0.254% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.43 +/- 3.19   0.320% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.51 +/- 2.70   0.265% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 315.3:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.84 +/- 0.53  82.394% * 99.2615% (1.00  10.0 10.00   5.62 315.33) =  99.991%  kept
          HB3   PRO   93 - QE    LYS+ 111  11.15 +/- 3.56   7.389% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   84 - QE    LYS+ 111  14.13 +/- 3.49   3.820% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QE    LYS+ 111  20.39 +/- 4.39   1.303% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QE    LYS+ 111  13.20 +/- 2.53   1.360% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QE    LYS+ 111  16.09 +/- 2.48   0.725% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  17.42 +/- 2.39   0.579% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QE    LYS+ 111  13.44 +/- 2.08   1.378% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  19.39 +/- 1.12   0.318% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.98 +/- 3.44   0.187% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.71 +/- 2.44   0.303% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.29 +/- 3.12   0.134% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.95 +/- 3.56   0.112% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 5.44, residual support = 313.5:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.48 +/- 0.47  91.853% * 91.1959% (1.00  10.0 10.00   5.44 315.33) =  99.372%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.85 +/- 1.46   6.396% *  8.2439% (0.38   1.0  1.00   4.82  28.73) =   0.626%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  20.91 +/- 2.91   0.246% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+ 111  14.82 +/- 2.89   0.684% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+ 111  23.53 +/- 3.41   0.390% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  25.01 +/- 3.66   0.176% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  24.91 +/- 3.14   0.143% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  25.93 +/- 3.48   0.111% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 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   2.33 +/- 0.13  78.922% * 98.3525% (1.00  10.0 10.00   4.97 315.33) =  99.975%  kept
          HG3   PRO   93 - QE    LYS+ 111  10.26 +/- 4.29  10.123% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.011%
          HB3   MET   92 - QE    LYS+ 111  11.22 +/- 4.61   7.199% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.009%
          QD    LYS+ 106 - QE    LYS+ 111  12.44 +/- 2.68   2.147% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+ 111  20.58 +/- 3.36   0.211% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+ 111  18.72 +/- 3.04   0.237% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.74 +/- 3.15   0.074% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.71 +/- 3.47   0.282% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  18.28 +/- 1.17   0.176% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  22.77 +/- 3.89   0.142% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.19 +/- 4.23   0.487% *  0.0195% (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 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.3:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.41 +/- 0.14  97.563% * 98.5544% (1.00  10.0 10.00   4.97 315.33) =  99.997%  kept
        T QD    LYS+  33 - QE    LYS+ 111  26.41 +/- 2.55   0.093% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+ 111  13.63 +/- 2.24   0.755% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.72 +/- 3.04   0.298% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+ 111  19.31 +/- 1.15   0.201% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  21.02 +/- 3.46   0.202% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  16.00 +/- 1.80   0.392% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.19 +/- 4.23   0.497% *  0.0195% (0.20   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 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 = 237.9:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.69 +/- 0.23  72.715% * 98.3538% (1.00  10.0 10.00   6.00 237.95) =  99.975%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.31 +/- 3.74  20.011% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.013%
        T HB    VAL   42 - HA    LYS+ 112  15.82 +/- 1.92   0.473% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   84 - HA    LYS+ 112  14.39 +/- 3.27   2.463% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    LYS+ 112  13.66 +/- 1.49   0.843% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    LYS+ 112  19.74 +/- 3.94   0.636% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  16.86 +/- 2.54   0.446% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  12.50 +/- 2.83   1.193% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  23.84 +/- 1.91   0.130% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  18.54 +/- 2.27   0.282% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  27.27 +/- 3.04   0.107% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  17.18 +/- 1.22   0.323% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  17.43 +/- 1.17   0.293% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.34 +/- 3.75   0.086% *  0.0517% (0.53   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 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.9:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.21 +/- 0.69  93.031% * 99.8441% (1.00  10.0 10.00   6.08 237.95) =  99.994%  kept
          QB    ALA   47 - HA    LYS+ 112  10.87 +/- 1.92   4.061% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HA    LYS+ 112  11.48 +/- 1.49   2.907% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.9:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.01 +/- 0.60  93.035% * 99.8009% (1.00  10.0 10.00   5.76 237.95) =  99.997%  kept
          QG2   VAL  108 - HA    LYS+ 112   9.25 +/- 0.99   4.220% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   63 - HA    LYS+ 112  13.73 +/- 2.66   1.613% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HA    LYS+ 112  21.04 +/- 3.03   0.429% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.75 +/- 2.10   0.703% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.853, support = 6.12, residual support = 236.5:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.77 +/- 0.23  61.591% * 40.8046% (0.76  10.0 10.00   6.52 237.95) =  60.689%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.05 +/- 0.90  29.951% * 53.3933% (1.00   1.0 10.00   5.52 237.95) =  38.617%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.56 +/- 0.36   5.032% *  5.6899% (0.38   1.0  1.00   5.68  28.73) =   0.691%  kept
          QG2   THR   94 - HA    LYS+ 112   9.52 +/- 1.32   1.938% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HA    LYS+ 112  14.20 +/- 3.41   1.306% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HA    LYS+ 112  22.18 +/- 3.27   0.181% *  0.0529% (0.99   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 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 237.9:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.69 +/- 0.23  92.496% * 98.8850% (1.00  10.0 10.00   6.00 237.95) =  99.989%  kept
        T HA    LYS+ 112 - HB    VAL   42  15.82 +/- 1.92   0.605% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.006%
          HB2   HIS  122 - HB    VAL   42  11.63 +/- 4.66   3.853% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   46 - HB2   LYS+ 112  13.59 +/- 2.90   1.626% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  12.90 +/- 1.08   0.924% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  16.19 +/- 1.73   0.497% *  0.0887% (0.90   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 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 = 0.841, support = 5.55, residual support = 158.1:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  61.278% * 40.6012% (0.70  10.0 10.00   4.53  89.71) =  53.850%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.54 +/- 0.19  36.965% * 57.6594% (1.00  10.0 10.00   6.74 237.95) =  46.133%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  12.38 +/- 2.24   0.733% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.008%
        T QB    ALA   47 - HB2   LYS+ 112  11.09 +/- 1.83   0.559% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+ 112 - HB    VAL   42  16.55 +/- 3.65   0.261% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   47 - HB    VAL   42  14.54 +/- 0.98   0.204% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.19 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 = 237.9:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.86 +/- 0.23  77.649% * 98.8037% (1.00  10.0 10.00   5.76 237.95) =  99.980%  kept
        T HG3   LYS+ 112 - HB    VAL   42  16.93 +/- 3.22   0.635% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   63 - HB    VAL   42   8.06 +/- 2.90   7.965% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.007%
          QG2   VAL  108 - HB2   LYS+ 112  10.88 +/- 1.66   3.927% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   63 - HB2   LYS+ 112  14.02 +/- 2.86   1.578% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HB    VAL   42  13.25 +/- 2.55   1.790% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42   9.22 +/- 3.68   4.187% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  12.14 +/- 1.72   1.262% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   LYS+ 112  21.79 +/- 3.58   0.337% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.26 +/- 3.06   0.670% *  0.0246% (0.25   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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.806, support = 6.99, residual support = 236.7:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  73.676% * 39.9802% (0.76  10.0 10.00   7.20 237.95) =  81.408%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.50 +/- 0.54  12.487% * 52.3144% (1.00  10.0 10.00   6.21 237.95) =  18.054%  kept
          HB3   LEU   71 - HB    VAL   42   7.75 +/- 2.68  11.028% *  1.2176% (0.84   1.0  1.00   0.56   1.16) =   0.371%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.33 +/- 0.53   1.063% *  5.5344% (0.38   1.0  1.00   5.64  28.73) =   0.163%  kept
        T HD2   LYS+ 112 - HB    VAL   42  17.19 +/- 3.89   0.144% *  0.4410% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 112 - HB    VAL   42  17.51 +/- 2.69   0.129% *  0.3370% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.51 +/- 1.00   0.519% *  0.0353% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  10.96 +/- 1.70   0.432% *  0.0419% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  15.58 +/- 3.80   0.244% *  0.0161% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  22.92 +/- 3.65   0.047% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  13.63 +/- 1.57   0.175% *  0.0136% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  20.22 +/- 2.25   0.056% *  0.0166% (0.32   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 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.9:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.21 +/- 0.69  92.038% * 99.8459% (1.00  10.0 10.00   6.08 237.95) =  99.994%  kept
          HB    THR   46 - HG2   LYS+ 112  13.21 +/- 3.96   7.174% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS  122 - HG2   LYS+ 112  16.58 +/- 2.02   0.788% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 237.9:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.54 +/- 0.19  76.684% * 98.3538% (1.00  10.0 10.00   6.74 237.95) =  99.978%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.42 +/- 3.93  12.665% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.008%
        T HB    VAL   42 - HG2   LYS+ 112  16.55 +/- 3.65   0.547% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   84 - HG2   LYS+ 112  15.12 +/- 4.13   5.738% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HG2   LYS+ 112  15.43 +/- 2.74   0.828% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG2   LYS+ 112  20.16 +/- 5.14   0.610% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG2   LYS+ 112  16.71 +/- 3.82   0.554% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+ 112  13.11 +/- 3.96   1.282% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  25.23 +/- 3.06   0.109% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  27.93 +/- 4.64   0.110% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  19.77 +/- 3.46   0.257% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.28 +/- 2.64   0.290% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  18.19 +/- 1.71   0.240% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.35 +/- 4.76   0.086% *  0.0517% (0.53   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 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 = 237.9:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.647% * 99.8009% (1.00  10.0 10.00   6.98 237.95) =  99.999%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.93 +/- 3.33   0.439% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.14 +/- 1.66   0.576% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.01 +/- 3.43   0.249% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  21.68 +/- 3.60   0.089% *  0.0605% (0.61   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 6.75, residual support = 237.3:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.67 +/- 0.31  49.154% * 53.0044% (1.00  10.0 10.00   6.56 237.95) =  58.197%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.74 +/- 0.28  45.846% * 40.5074% (0.76  10.0 10.00   7.03 237.95) =  41.482%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.01 +/- 0.93   2.241% *  6.3769% (0.38   1.0  1.00   6.41  28.73) =   0.319%  kept
          QG2   THR   94 - HG2   LYS+ 112  10.95 +/- 2.03   1.168% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HG2   LYS+ 112  15.46 +/- 4.35   1.485% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   LYS+ 112  22.62 +/- 4.16   0.107% *  0.0525% (0.99   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 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.9:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.01 +/- 0.60  95.828% * 99.8459% (1.00  10.0 10.00   5.76 237.95) =  99.997%  kept
          HB    THR   46 - HG3   LYS+ 112  13.39 +/- 4.34   3.431% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - HG3   LYS+ 112  16.81 +/- 1.37   0.741% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 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 = 237.9:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.86 +/- 0.23  70.905% * 98.3538% (1.00  10.0 10.00   5.76 237.95) =  99.972%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.37 +/- 4.43  18.368% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.013%
        T HB    VAL   42 - HG3   LYS+ 112  16.93 +/- 3.22   0.586% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          QB    ALA   84 - HG3   LYS+ 112  15.12 +/- 4.36   4.940% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HG3   LYS+ 112  15.44 +/- 2.36   1.009% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG3   LYS+ 112  20.56 +/- 4.94   0.820% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 112  17.12 +/- 3.77   0.660% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 112  13.38 +/- 3.92   1.352% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  25.30 +/- 2.61   0.150% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  28.24 +/- 4.19   0.138% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  19.92 +/- 3.17   0.314% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  18.45 +/- 2.26   0.360% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  18.32 +/- 1.22   0.291% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  28.66 +/- 4.66   0.107% *  0.0517% (0.53   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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.9:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  98.731% * 99.8441% (1.00  10.0 10.00   6.98 237.95) =  99.999%  kept
          QB    ALA   47 - HG3   LYS+ 112  10.97 +/- 3.04   0.840% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  12.45 +/- 2.56   0.429% *  0.0834% (0.84   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 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 = 0.898, support = 6.2, residual support = 237.2:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.55 +/- 0.24  48.369% * 53.1856% (1.00  10.0 10.00   5.58 237.95) =  57.413%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.59 +/- 0.24  46.545% * 40.6459% (0.76  10.0  1.00   7.04 237.95) =  42.222%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.49 +/- 0.95   2.688% *  6.0568% (0.38   1.0  1.00   6.07  28.73) =   0.363%  kept
          QG2   THR   94 - HG3   LYS+ 112  10.91 +/- 2.22   0.952% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HG3   LYS+ 112  15.43 +/- 4.73   1.344% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.02 +/- 3.80   0.103% *  0.0527% (0.99   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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 237.9:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.05 +/- 0.90  88.749% * 99.8459% (1.00 10.00   5.52 237.95) =  99.991%  kept
          HB    THR   46 - HD2   LYS+ 112  13.37 +/- 4.30   9.475% *  0.0646% (0.65  1.00   0.02   0.02) =   0.007%
          HB2   HIS  122 - HD2   LYS+ 112  16.84 +/- 2.26   1.776% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 237.8:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.50 +/- 0.54  62.410% * 98.3538% (1.00  10.0 10.00   6.21 237.95) =  99.957%  kept
          HB3   PRO   93 - HD2   LYS+ 112   9.58 +/- 4.24  20.358% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.016%
        T HB    VAL   42 - HD2   LYS+ 112  17.19 +/- 3.89   0.851% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.013%
          QB    ALA   84 - HD2   LYS+ 112  15.46 +/- 4.34   8.976% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   73 - HD2   LYS+ 112  20.57 +/- 5.77   1.247% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HD2   LYS+ 112  16.96 +/- 4.32   1.286% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.13 +/- 2.26   0.987% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HD2   LYS+ 112  13.52 +/- 4.26   1.968% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  28.33 +/- 5.00   0.222% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  25.90 +/- 2.80   0.194% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  20.37 +/- 3.21   0.397% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  18.87 +/- 2.47   0.485% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  18.48 +/- 1.33   0.477% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  28.70 +/- 5.25   0.141% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 237.9:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.67 +/- 0.31  94.996% * 99.8441% (1.00  10.0 10.00   6.56 237.95) =  99.996%  kept
          QB    ALA   47 - HD2   LYS+ 112  10.73 +/- 3.05   3.359% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HD2   LYS+ 112  12.66 +/- 3.12   1.645% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 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 = 5.58, residual support = 237.9:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.55 +/- 0.24  95.509% * 99.8009% (1.00  10.0 10.00   5.58 237.95) =  99.997%  kept
          HG    LEU   63 - HD2   LYS+ 112  14.23 +/- 3.62   2.551% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HD2   LYS+ 112  11.66 +/- 1.64   1.273% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  21.85 +/- 3.73   0.293% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  18.68 +/- 2.80   0.374% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.10 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 = 14.4:
    * O T QB    ASP- 113 - HA    ASP- 113   2.46 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.41) = 100.000%  kept
    Distance limit 2.87 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 = 14.4:
    * O T HA    ASP- 113 - QB    ASP- 113   2.46 +/- 0.12  97.091% * 99.1713% (1.00  10.0 10.00   2.00  14.41) =  99.993%  kept
        T HA    PHE   59 - QB    ASP- 113  11.88 +/- 0.94   0.912% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   56 - QB    ASP- 113  11.18 +/- 1.92   1.306% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    ASP- 113  15.13 +/- 1.02   0.454% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.34 +/- 2.01   0.160% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.28 +/- 2.69   0.078% *  0.0681% (0.69   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 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 = 0.873, support = 3.79, residual support = 51.8:
    * O T QB    GLU- 114 - HA    GLU- 114   2.30 +/- 0.15  48.487% * 56.5460% (0.97  10.0 10.00   3.51  44.10) =  86.493%  kept
        T QB    GLU- 114 - HA    LEU  115   4.30 +/- 0.38   8.550% * 26.0231% (0.44   1.0 10.00   5.16  21.21) =   7.019%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.69 +/- 0.25  31.696% *  5.3364% (0.09  10.0 10.00   6.32 224.47) =   5.336%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.79 +/- 0.33   3.127% * 11.5954% (0.20   1.0 10.00   4.43  21.21) =   1.144%  kept
          HB2   LYS+ 111 - HA    GLU- 114   6.37 +/- 1.58   4.462% *  0.0425% (0.73   1.0  1.00   0.02   1.64) =   0.006%
          HB2   LYS+ 111 - HA    LEU  115   8.32 +/- 1.74   1.834% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU- 114  20.89 +/- 3.54   0.085% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  30.38 +/- 5.12   0.076% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.47 +/- 3.19   0.157% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.34 +/- 3.60   0.067% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.71 +/- 3.05   0.140% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  26.77 +/- 4.40   0.119% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.36 +/- 1.56   0.217% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.62 +/- 1.64   0.447% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  25.89 +/- 3.01   0.041% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  26.06 +/- 2.89   0.040% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  22.20 +/- 3.01   0.074% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  22.07 +/- 3.12   0.066% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  22.85 +/- 2.71   0.062% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.80 +/- 2.80   0.115% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  25.06 +/- 3.49   0.057% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.35 +/- 2.72   0.080% *  0.0036% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 38.5:
    * O T QG    GLU- 114 - HA    GLU- 114   2.98 +/- 0.46  54.856% * 68.1764% (1.00  10.0 10.00   3.63  44.10) =  75.665%  kept
        T QG    GLU- 114 - HA    LEU  115   4.18 +/- 1.25  38.329% * 31.3756% (0.46   1.0 10.00   4.90  21.21) =  24.331%  kept
          HG2   PRO   52 - HA    LEU  115  12.62 +/- 3.83   2.731% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU- 114  14.94 +/- 3.45   0.783% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  14.88 +/- 4.03   0.988% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  13.29 +/- 2.88   1.156% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    GLU- 114  22.55 +/- 4.00   0.262% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  19.14 +/- 3.50   0.409% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.02 +/- 4.14   0.078% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  27.69 +/- 3.72   0.106% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  31.90 +/- 5.30   0.081% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  28.35 +/- 4.56   0.116% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.69 +/- 3.23   0.044% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.43 +/- 3.32   0.061% *  0.0107% (0.16   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.931, support = 3.7, residual support = 41.5:
    * O T HA    GLU- 114 - QB    GLU- 114   2.30 +/- 0.15  82.864% * 59.0968% (0.97  10.0 10.00   3.51  44.10) =  88.679%  kept
        T HA    LEU  115 - QB    GLU- 114   4.30 +/- 0.38  15.398% * 40.5940% (0.66   1.0 10.00   5.16  21.21) =  11.319%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.42 +/- 1.20   0.387% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    GLU- 114  11.81 +/- 2.00   0.846% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.52 +/- 3.78   0.160% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  21.01 +/- 1.74   0.120% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.87 +/- 2.43   0.098% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.97 +/- 2.88   0.126% *  0.0382% (0.62   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 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 = 3.85, residual support = 44.1:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.05  97.232% * 99.1187% (0.96  10.0 10.00   3.85  44.10) =  99.997%  kept
          HG2   PRO   52 - QB    GLU- 114  12.60 +/- 3.62   1.374% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QB    GLU- 114  12.28 +/- 3.00   0.836% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLU-  25 - QB    GLU- 114  28.01 +/- 4.35   0.087% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  19.41 +/- 3.74   0.385% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.73 +/- 3.54   0.049% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.13 +/- 3.29   0.037% *  0.0339% (0.33   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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.897, support = 4.04, residual support = 36.7:
    * O T HA    GLU- 114 - QG    GLU- 114   2.98 +/- 0.46  57.288% * 59.1519% (1.00  10.0 10.00   3.63  44.10) =  67.586%  kept
        T HA    LEU  115 - QG    GLU- 114   4.18 +/- 1.25  39.996% * 40.6319% (0.69   1.0 10.00   4.90  21.21) =  32.412%  kept
          HA    CYS   53 - QG    GLU- 114  11.65 +/- 2.27   1.494% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  20.83 +/- 1.51   0.177% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.65 +/- 2.36   0.164% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  25.33 +/- 3.61   0.129% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  14.29 +/- 1.49   0.599% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.73 +/- 2.97   0.154% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.954, support = 3.84, residual support = 43.5:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.05  68.622% * 90.6568% (0.96  10.0 10.00   3.85  44.10) =  98.155%  kept
          HB2   LYS+ 111 - QG    GLU- 114   4.76 +/- 1.48  18.817% *  3.1755% (0.72   1.0  1.00   0.93   1.64) =   0.943%  kept
          HB2   LEU  115 - QG    GLU- 114   4.70 +/- 1.36  11.684% *  4.8882% (0.20   1.0  1.00   5.26  21.21) =   0.901%  kept
        T HB3   GLU-  25 - QG    GLU- 114  26.46 +/- 4.25   0.071% *  0.8886% (0.94   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLU- 114  19.05 +/- 2.93   0.115% *  0.0815% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  21.55 +/- 3.00   0.085% *  0.0867% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  13.46 +/- 1.83   0.315% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  23.31 +/- 2.26   0.056% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  23.36 +/- 2.07   0.054% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  20.08 +/- 2.85   0.103% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.03 +/- 2.83   0.079% *  0.0127% (0.14   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 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 = 0.638, support = 5.78, residual support = 185.9:
    * O T HB2   LEU  115 - HA    LEU  115   2.69 +/- 0.25  24.335% * 53.5392% (0.84  10.0 10.00   6.32 224.47) =  71.510%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.65 +/- 0.25  25.367% *  8.3462% (0.13  10.0  1.00   4.76 169.42) =  11.621%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.30 +/- 0.15  37.047% *  4.5213% (0.07  10.0 10.00   3.51  44.10) =   9.194%  kept
        T QB    GLU- 114 - HA    LEU  115   4.30 +/- 0.38   6.331% * 16.5247% (0.26   1.0 10.00   5.16  21.21) =   5.743%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.79 +/- 0.33   2.348% * 14.6486% (0.23   1.0 10.00   4.43  21.21) =   1.888%  kept
        T HB2   LEU  115 - HA    ARG+  54  11.66 +/- 1.72   0.344% *  1.9992% (0.47   1.0 10.00   0.13   0.02) =   0.038%
          HG3   PRO   58 - HA    ARG+  54   8.08 +/- 1.80   1.804% *  0.0300% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   58 - HA    LEU  115  11.62 +/- 1.64   0.344% *  0.0534% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLU- 114 - HA    ARG+  54  14.42 +/- 1.20   0.166% *  0.0927% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LEU  115  15.76 +/- 2.55   0.147% *  0.0429% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  19.55 +/- 5.64   0.429% *  0.0135% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  17.48 +/- 3.34   0.145% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  18.41 +/- 3.54   0.114% *  0.0282% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.71 +/- 3.05   0.104% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.36 +/- 1.56   0.167% *  0.0146% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.79 +/- 1.62   0.158% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  18.16 +/- 3.93   0.146% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.47 +/- 3.19   0.111% *  0.0201% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  19.48 +/- 2.87   0.074% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  21.28 +/- 2.82   0.058% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.89 +/- 3.54   0.063% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  22.25 +/- 2.91   0.051% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.26 +/- 1.68   0.097% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.34 +/- 3.60   0.049% *  0.0055% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.542, support = 6.26, residual support = 219.4:
    * O T HG    LEU  115 - HA    LEU  115   3.21 +/- 0.55  30.398% * 55.7762% (0.72  10.0 10.00   6.15 224.47) =  61.426%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.49 +/- 0.30  50.200% * 19.8462% (0.26  10.0 10.00   6.63 224.47) =  36.094%  kept
        T HG    LEU  115 - HA    GLU- 114   6.70 +/- 0.84   3.120% * 15.2607% (0.20   1.0 10.00   3.96  21.21) =   1.725%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.09 +/- 0.34   3.583% *  5.4300% (0.07   1.0 10.00   3.79  21.21) =   0.705%  kept
        T HB3   LEU  115 - HA    ARG+  54  11.75 +/- 1.79   0.551% *  0.8967% (0.14   1.0 10.00   0.16   0.02) =   0.018%
        T HG    LEU  115 - HA    ARG+  54  10.95 +/- 1.64   0.672% *  0.3127% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   LEU   40 - HA    LEU  115  17.50 +/- 2.39   0.170% *  0.6373% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU   40 - HA    ARG+  54  22.80 +/- 5.25   0.262% *  0.3573% (0.46   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - HA    LEU  115   7.85 +/- 0.43   1.660% *  0.0558% (0.72   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   67 - HA    LEU  115  15.51 +/- 3.32   0.345% *  0.2643% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    LEU  115  15.64 +/- 2.26   0.238% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   26 - HA    LEU  115  19.84 +/- 3.16   0.203% *  0.2193% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LEU  115  17.54 +/- 3.87   0.777% *  0.0390% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HA    ARG+  54  17.32 +/- 3.21   0.196% *  0.1482% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU- 114   7.58 +/- 0.67   1.854% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  20.97 +/- 4.76   0.213% *  0.1113% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  20.56 +/- 2.71   0.104% *  0.1744% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   9.17 +/- 1.10   1.169% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    GLU- 114  22.91 +/- 3.98   0.184% *  0.0600% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  13.92 +/- 3.28   1.054% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  15.08 +/- 2.14   0.303% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  18.85 +/- 2.50   0.133% *  0.0543% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  11.00 +/- 2.24   1.443% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  16.63 +/- 2.84   0.241% *  0.0219% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.71 +/- 1.59   0.206% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.66 +/- 3.75   0.154% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  18.19 +/- 3.02   0.181% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  20.50 +/- 2.76   0.113% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  19.17 +/- 3.70   0.166% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.60 +/- 2.05   0.108% *  0.0049% (0.06   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 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 6.17, residual support = 211.7:
    *   T QD1   LEU  115 - HA    LEU  115   3.60 +/- 0.64  66.184% * 75.6477% (0.84 10.00   6.32 224.47) =  93.803%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.55 +/- 0.71  14.067% * 20.6976% (0.23 10.00   4.41  21.21) =   5.455%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.27 +/- 1.78  11.123% *  3.5234% (0.47 10.00   0.17   0.02) =   0.734%  kept
          QG1   VAL   75 - HA    LEU  115  11.19 +/- 1.70   3.786% *  0.0716% (0.79  1.00   0.02   0.02) =   0.005%
          QG1   VAL   75 - HA    ARG+  54  12.04 +/- 2.00   3.214% *  0.0401% (0.44  1.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    GLU- 114  14.37 +/- 1.74   1.626% *  0.0196% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.768, support = 7.29, residual support = 210.8:
    *   T QD2   LEU  115 - HA    LEU  115   3.37 +/- 0.37  44.945% * 74.2276% (0.81 10.00   7.52 224.47) =  93.349%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.81 +/- 0.69  10.765% * 20.3091% (0.22 10.00   4.39  21.21) =   6.117%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.66 +/- 1.48   3.570% *  4.8586% (0.45 10.00   0.23   0.02) =   0.485%  kept
          QD1   LEU   63 - HA    LEU  115   9.05 +/- 3.01   7.247% *  0.0728% (0.79  1.00   0.02   0.02) =   0.015%
          QD1   LEU   73 - HA    LEU  115  15.37 +/- 3.77   5.065% *  0.0728% (0.79  1.00   0.02   0.02) =   0.010%
          QD1   LEU   63 - HA    ARG+  54   9.96 +/- 3.06   7.565% *  0.0408% (0.44  1.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - HA    LEU  115   9.70 +/- 2.57   4.046% *  0.0289% (0.31  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HA    ARG+  54  11.15 +/- 3.11   5.501% *  0.0162% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    LEU  115  12.55 +/- 1.97   1.213% *  0.0588% (0.64  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    ARG+  54  16.77 +/- 3.51   1.609% *  0.0408% (0.44  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  115  18.19 +/- 3.25   0.603% *  0.0728% (0.79  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114  12.32 +/- 3.11   1.698% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  17.40 +/- 3.59   0.774% *  0.0408% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  18.69 +/- 3.83   0.945% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ARG+  54  19.37 +/- 3.30   0.418% *  0.0330% (0.36  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  14.51 +/- 1.90   0.785% *  0.0161% (0.17  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  16.84 +/- 2.33   0.496% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  12.90 +/- 2.78   1.365% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.84 +/- 3.64   0.677% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.78 +/- 3.53   0.395% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.24 +/- 2.35   0.318% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.814, support = 6.23, residual support = 215.3:
    * O T HA    LEU  115 - HB2   LEU  115   2.69 +/- 0.25  86.423% * 67.2816% (0.84  10.0 10.00   6.32 224.47) =  95.514%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.79 +/- 0.33   9.678% * 27.4765% (0.34   1.0 10.00   4.43  21.21) =   4.368%  kept
        T HA    ARG+  54 - HB2   LEU  115  11.66 +/- 1.72   1.424% *  4.9522% (0.92   1.0 10.00   0.13   0.02) =   0.116%  kept
          HA    LYS+  81 - HB2   LEU  115  18.83 +/- 3.81   1.595% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   LEU  115  18.13 +/- 0.92   0.304% *  0.0673% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.33 +/- 2.60   0.177% *  0.0699% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.24 +/- 2.90   0.158% *  0.0553% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.95 +/- 1.92   0.154% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.49 +/- 3.50   0.087% *  0.0249% (0.31   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 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 = 0.557, support = 6.19, residual support = 224.5:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  76.299% * 25.8976% (0.31  10.0 10.00   6.31 224.47) =  55.563%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.75 +/- 0.27  21.710% * 72.7830% (0.87  10.0 10.00   6.04 224.47) =  44.432%  kept
        T HB3   LEU   40 - HB2   LEU  115  18.61 +/- 2.59   0.082% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HB2   LEU  115   9.13 +/- 0.45   0.553% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  16.68 +/- 2.49   0.114% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   LEU  115  17.40 +/- 3.84   0.467% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU  115  15.89 +/- 3.31   0.215% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.20 +/- 1.06   0.327% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.40 +/- 2.21   0.140% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.16 +/- 3.13   0.093% *  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 = 6.11, residual support = 224.5:
    * O T QD1   LEU  115 - HB2   LEU  115   2.48 +/- 0.29  97.826% * 99.9055% (1.00  10.0 10.00   6.11 224.47) =  99.998%  kept
          QG1   VAL   75 - HB2   LEU  115  11.01 +/- 2.08   2.174% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.29 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 = 7.3, residual support = 224.4:
    * O T QD2   LEU  115 - HB2   LEU  115   2.66 +/- 0.48  72.803% * 99.5578% (0.97  10.0 10.00   7.30 224.47) =  99.968%  kept
          QD1   LEU   73 - HB2   LEU  115  15.55 +/- 3.87  12.052% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.016%
          QD1   LEU   63 - HB2   LEU  115   9.14 +/- 3.09   7.861% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.011%
          QD2   LEU   63 - HB2   LEU  115   9.95 +/- 2.54   5.085% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   LEU  115  17.94 +/- 3.35   0.838% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   LEU  115  13.65 +/- 1.90   0.774% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  16.79 +/- 2.64   0.587% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.693, support = 5.99, residual support = 209.8:
    * O T HA    LEU  115 - HG    LEU  115   3.21 +/- 0.55  64.636% * 69.7478% (0.72  10.0 10.00   6.15 224.47) =  92.796%  kept
        T HA    GLU- 114 - HG    LEU  115   6.70 +/- 0.84  12.183% * 28.4836% (0.30   1.0 10.00   3.96  21.21) =   7.143%  kept
        T HA    ARG+  54 - HG    LEU  115  10.95 +/- 1.64   2.830% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.045%
        T HA    LEU  115 - HG    LEU   40  15.64 +/- 2.26   0.860% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   34 - HG    LEU   40   8.44 +/- 2.01   9.134% *  0.0195% (0.20   1.0  1.00   0.02   0.59) =   0.004%
        T HA    ARG+  54 - HG    LEU   40  20.97 +/- 4.76   0.463% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU- 114 - HG    LEU   40  18.85 +/- 2.50   0.488% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  13.73 +/- 2.59   1.827% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG    LEU  115  18.55 +/- 4.09   1.287% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  17.45 +/- 1.24   0.486% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  12.49 +/- 3.95   2.326% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  17.31 +/- 5.91   1.167% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  22.69 +/- 2.44   0.244% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  22.39 +/- 2.62   0.262% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.43 +/- 2.09   1.213% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.59 +/- 1.71   0.209% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  27.67 +/- 3.26   0.137% *  0.0258% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.34 +/- 2.39   0.247% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.862, support = 6.03, residual support = 222.5:
    * O T HB2   LEU  115 - HG    LEU  115   2.75 +/- 0.27  72.484% * 92.1233% (0.87  10.0 10.00   6.04 224.47) =  99.033%  kept
          QB    GLU- 114 - HG    LEU  115   6.07 +/- 0.91  10.095% *  6.2419% (0.27   1.0  1.00   4.39  21.21) =   0.934%  kept
        T HB2   LEU   67 - HG    LEU   40   8.47 +/- 2.30   4.954% *  0.2505% (0.24   1.0 10.00   0.02   0.02) =   0.018%
        T HB2   LEU   67 - HG    LEU  115  15.08 +/- 2.20   0.591% *  0.7377% (0.69   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   58 - HG    LEU  115   9.59 +/- 1.58   2.476% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  115 - HG    LEU   40  16.68 +/- 2.49   0.458% *  0.3129% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HG    LEU   40  10.89 +/- 2.25   2.543% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  17.23 +/- 3.38   0.557% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.43 +/- 1.96   1.020% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  11.07 +/- 1.68   1.435% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  11.46 +/- 1.81   1.388% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.16 +/- 2.86   0.425% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.70 +/- 2.85   0.395% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  19.09 +/- 3.05   0.324% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  22.72 +/- 5.24   0.465% *  0.0087% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  16.97 +/- 2.16   0.390% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.03 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 = 5.93, residual support = 224.5:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  97.155% * 99.5358% (0.87  10.0 10.00   5.93 224.47) =  99.996%  kept
        T QD1   LEU  115 - HG    LEU   40  13.43 +/- 2.16   0.582% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HG    LEU  115  10.44 +/- 2.00   1.485% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  11.43 +/- 1.28   0.779% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 7.08, residual support = 224.4:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.01  68.879% * 99.0740% (0.84  10.0 10.00   7.09 224.47) =  99.980%  kept
          QD1   LEU  104 - HG    LEU   40   6.45 +/- 4.47  14.824% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU   63 - HG    LEU  115   8.03 +/- 2.60   3.142% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - HG    LEU  115  14.94 +/- 3.44   2.326% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HG    LEU   40   8.84 +/- 2.23   3.839% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HG    LEU   40  13.49 +/- 1.83   0.355% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HG    LEU  115   8.94 +/- 2.08   1.734% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.78 +/- 1.59   1.062% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   8.09 +/- 2.14   2.597% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  17.46 +/- 3.55   0.276% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.30 +/- 1.94   0.319% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  16.45 +/- 2.53   0.216% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  17.72 +/- 3.88   0.190% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.94 +/- 3.22   0.242% *  0.0108% (0.09   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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.797, support = 6.09, residual support = 205.3:
    *   T HA    LEU  115 - QD1   LEU  115   3.60 +/- 0.64  66.277% * 66.4675% (0.84 10.00   6.32 224.47) =  90.701%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.55 +/- 0.71  14.114% * 27.1440% (0.34 10.00   4.41  21.21) =   7.888%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.27 +/- 1.78  11.175% *  6.1023% (0.92 10.00   0.17   0.02) =   1.404%  kept
          HA    LYS+  81 - QD1   LEU  115  14.92 +/- 3.31   5.014% *  0.0327% (0.41  1.00   0.02   0.02) =   0.003%
          HA    ALA  124 - QD1   LEU  115  15.58 +/- 1.15   0.911% *  0.0665% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD1   LEU  115  18.73 +/- 2.17   0.692% *  0.0690% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  18.78 +/- 2.74   0.847% *  0.0547% (0.69  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  19.02 +/- 1.72   0.544% *  0.0387% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  23.24 +/- 3.24   0.427% *  0.0246% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.993, support = 6.09, residual support = 222.1:
    * O T HB2   LEU  115 - QD1   LEU  115   2.48 +/- 0.29  79.786% * 90.2145% (1.00  10.0 10.00   6.11 224.47) =  98.840%  kept
          QB    GLU- 114 - QD1   LEU  115   5.64 +/- 0.71  10.531% *  7.0056% (0.31   1.0  1.00   5.03  21.21) =   1.013%  kept
          HG3   PRO   58 - QD1   LEU  115   7.82 +/- 1.46   4.078% *  2.5608% (1.00   1.0  1.00   0.57   0.02) =   0.143%  kept
          HB2   LEU   67 - QD1   LEU  115  12.53 +/- 2.30   1.356% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.50 +/- 2.03   2.246% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  14.18 +/- 3.04   0.861% *  0.0475% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  14.45 +/- 2.58   0.606% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.29 +/- 2.59   0.536% *  0.0339% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.756, support = 6.03, residual support = 224.4:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  55.611% * 72.7830% (0.87  10.0 10.00   5.93 224.47) =  80.026%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.44 +/- 0.33  38.989% * 25.8976% (0.31  10.0 10.00   6.42 224.47) =  19.964%  kept
        T HB3   LEU   40 - QD1   LEU  115  15.05 +/- 2.30   0.260% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - QD1   LEU  115  13.43 +/- 2.16   0.337% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD1   LEU  115  13.25 +/- 3.17   1.687% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU  115   8.38 +/- 0.80   1.088% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - QD1   LEU  115  12.42 +/- 2.73   0.621% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.77 +/- 1.21   0.801% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.50 +/- 1.74   0.437% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.01 +/- 2.39   0.169% *  0.0286% (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 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 = 7.29, residual support = 224.4:
    * O T QD2   LEU  115 - QD1   LEU  115   2.02 +/- 0.07  71.199% * 99.5578% (0.97  10.0 10.00   7.30 224.47) =  99.967%  kept
          QD1   LEU   73 - QD1   LEU  115  12.15 +/- 3.08  11.229% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.015%
          QD1   LEU   63 - QD1   LEU  115   6.71 +/- 2.34   8.703% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.012%
          QD2   LEU   63 - QD1   LEU  115   7.46 +/- 2.00   7.241% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - QD1   LEU  115  14.12 +/- 2.94   0.564% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD1   LEU  115  11.40 +/- 1.82   0.547% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD1   LEU  115  13.31 +/- 2.42   0.517% *  0.0318% (0.31   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 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 7.17, residual support = 204.1:
    *   T HA    LEU  115 - QD2   LEU  115   3.37 +/- 0.37  63.104% * 64.8632% (0.81 10.00   7.52 224.47) =  90.079%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.81 +/- 0.69  15.363% * 26.4889% (0.33 10.00   4.39  21.21) =   8.956%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.66 +/- 1.48   5.172% *  8.3687% (0.89 10.00   0.23   0.02) =   0.952%  kept
          HA    LYS+  81 - QD2   LEU  115  15.48 +/- 4.20  14.007% *  0.0319% (0.40  1.00   0.02   0.02) =   0.010%
          HA    ALA  124 - QD2   LEU  115  14.27 +/- 1.34   0.946% *  0.0649% (0.81  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD2   LEU  115  19.29 +/- 2.18   0.410% *  0.0674% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  19.02 +/- 2.16   0.420% *  0.0533% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.33 +/- 1.47   0.360% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.50 +/- 2.52   0.218% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.952, support = 7.24, residual support = 220.0:
    * O T HB2   LEU  115 - QD2   LEU  115   2.66 +/- 0.48  70.712% * 90.3101% (0.97  10.0 10.00   7.30 224.47) =  97.848%  kept
          QB    GLU- 114 - QD2   LEU  115   5.48 +/- 1.04  17.503% *  7.0116% (0.30   1.0  1.00   5.03  21.21) =   1.880%  kept
          HG3   PRO   58 - QD2   LEU  115   7.20 +/- 1.84   7.134% *  2.4590% (0.96   1.0  1.00   0.55   0.02) =   0.269%  kept
          HB2   LEU   67 - QD2   LEU  115  12.68 +/- 1.81   1.016% *  0.0723% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD2   LEU  115   9.96 +/- 1.59   1.943% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  14.33 +/- 2.59   0.755% *  0.0405% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  14.47 +/- 2.36   0.534% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.59 +/- 2.27   0.403% *  0.0339% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.745, support = 7.16, residual support = 224.2:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.01  60.374% * 70.4335% (0.84  10.0 10.00   7.09 224.47) =  82.864%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.69 +/- 0.49  34.849% * 25.0616% (0.30  10.0 10.00   7.59 224.47) =  17.019%  kept
          QB    ALA  120 - QD2   LEU  115   7.11 +/- 0.86   1.721% *  3.2985% (0.84   1.0  1.00   0.94   0.02) =   0.111%  kept
        T HB3   LEU   40 - QD2   LEU  115  15.11 +/- 2.02   0.244% *  0.8048% (0.96   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - QD2   LEU  115  13.49 +/- 1.83   0.321% *  0.2506% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD2   LEU  115  13.66 +/- 2.96   0.617% *  0.0492% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   9.04 +/- 0.77   0.824% *  0.0181% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.55 +/- 2.17   0.384% *  0.0334% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.77 +/- 1.56   0.473% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.32 +/- 2.49   0.193% *  0.0277% (0.33   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 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.3, residual support = 224.5:
    * O T QD1   LEU  115 - QD2   LEU  115   2.02 +/- 0.07  97.470% * 99.9055% (0.97  10.0 10.00   7.30 224.47) =  99.998%  kept
          QG1   VAL   75 - QD2   LEU  115   8.89 +/- 1.92   2.530% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.52 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 = 5.22, residual support = 111.9:
    * O T HB2   GLN  116 - HA    GLN  116   2.84 +/- 0.13  92.514% * 98.6426% (1.00  10.0 10.00   5.22 111.91) =  99.993%  kept
          HB2   PRO   58 - HA    GLN  116   8.83 +/- 1.64   4.946% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    GLN  116  23.71 +/- 2.31   0.176% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  13.28 +/- 2.27   1.136% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN  116  19.19 +/- 4.54   1.084% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  25.23 +/- 2.36   0.143% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 111.8:
    * O T HG2   GLN  116 - HA    GLN  116   2.54 +/- 0.60  95.755% * 97.3011% (1.00  10.0 10.00   4.86 111.91) =  99.889%  kept
          HB3   PHE   95 - HA    GLN  116   9.17 +/- 1.69   3.889% *  2.6719% (0.99   1.0  1.00   0.55   0.02) =   0.111%  kept
          HG2   GLU-  25 - HA    GLN  116  28.95 +/- 4.79   0.356% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 111.9:
    * O T HA    GLN  116 - HB2   GLN  116   2.84 +/- 0.13  97.016% * 98.1197% (1.00  10.0 10.00   5.22 111.91) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLN  116  28.89 +/- 3.55   0.111% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   GLN  116  28.93 +/- 3.43   0.109% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   GLN  116  25.65 +/- 5.48   1.222% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  19.04 +/- 3.30   0.438% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  20.86 +/- 3.02   0.300% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  19.28 +/- 3.13   0.457% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  25.89 +/- 3.77   0.162% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  24.26 +/- 3.55   0.185% *  0.0194% (0.20   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 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 = 5.4, residual support = 111.5:
    * O T HG2   GLN  116 - HB2   GLN  116   2.68 +/- 0.18  89.227% * 97.3353% (1.00  10.0 10.00   5.41 111.91) =  99.677%  kept
          HB3   PHE   95 - HB2   GLN  116  10.48 +/- 1.98  10.665% *  2.6376% (0.99   1.0  1.00   0.55   0.02) =   0.323%  kept
          HG2   GLU-  25 - HB2   GLN  116  30.62 +/- 5.22   0.108% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 111.9:
    * O T HA    GLN  116 - HG2   GLN  116   2.54 +/- 0.60  97.205% * 99.5202% (1.00  10.0 10.00   4.86 111.91) =  99.998%  kept
          HA    VAL   70 - HG2   GLN  116  17.94 +/- 3.34   0.612% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLN  116  25.81 +/- 5.46   0.527% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  19.55 +/- 3.24   0.415% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  28.15 +/- 3.14   0.184% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  27.97 +/- 3.14   0.154% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  18.91 +/- 3.36   0.459% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  24.97 +/- 3.52   0.217% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.83 +/- 3.89   0.227% *  0.0197% (0.20   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 111.9:
    * O T HB2   GLN  116 - HG2   GLN  116   2.68 +/- 0.18  93.775% * 99.6852% (1.00  10.0 10.00   5.41 111.91) =  99.996%  kept
          HB2   PRO   58 - HG2   GLN  116   9.07 +/- 1.42   3.730% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HG2   GLN  116  19.86 +/- 4.82   1.553% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   GLN  116  14.90 +/- 2.19   0.711% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  25.26 +/- 2.23   0.126% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  26.48 +/- 2.31   0.105% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.12 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 = 0.998, support = 1.27, residual support = 15.4:
    * O T QB    SER  117 - HA    SER  117   2.41 +/- 0.12  87.222% * 93.1075% (1.00  10.0 10.00   1.27  15.40) =  99.641%  kept
          HA    ALA  120 - HA    SER  117   5.84 +/- 0.45   6.597% *  2.8708% (0.41   1.0  1.00   1.50   5.23) =   0.232%  kept
          HA    LYS+ 121 - HA    SER  117   7.23 +/- 1.10   4.335% *  2.2987% (0.84   1.0  1.00   0.59   0.02) =   0.122%  kept
        T HA2   GLY   51 - HA    SER  117  20.16 +/- 3.06   0.197% *  0.8350% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HA    SER  117  21.19 +/- 2.80   0.162% *  0.6023% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HA    SER  117  12.80 +/- 1.98   0.740% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER  117  15.54 +/- 2.34   0.430% *  0.0712% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  22.28 +/- 3.64   0.203% *  0.1437% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  25.00 +/- 4.25   0.115% *  0.0144% (0.15   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 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.27, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.41 +/- 0.12  92.008% * 99.1287% (1.00  10.0 10.00   1.27  15.40) =  99.996%  kept
        T HA1   GLY   51 - QB    SER   48   9.04 +/- 0.70   1.922% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   26 - QB    SER  117  24.23 +/- 4.78   0.703% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  17.68 +/- 2.89   0.306% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  21.19 +/- 2.80   0.171% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.49 +/- 1.17   0.586% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  22.28 +/- 3.64   0.215% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.17 +/- 1.51   0.658% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  16.05 +/- 3.54   0.950% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.13 +/- 3.34   1.230% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.20 +/- 3.27   0.267% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  19.40 +/- 3.56   0.247% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  19.53 +/- 4.96   0.264% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.09 +/- 3.85   0.288% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  20.82 +/- 3.23   0.188% *  0.0087% (0.09   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 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 = 6.73, residual support = 267.1:
    * O T HB    ILE  119 - HA    ILE  119   2.95 +/- 0.09  91.847% * 99.2403% (0.87  10.0 10.00   6.73 267.13) =  99.994%  kept
          HB3   PRO   68 - HA    ILE  119  14.84 +/- 3.83   1.294% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  14.68 +/- 2.57   0.938% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    ILE  119  19.78 +/- 3.22   0.525% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  16.12 +/- 2.26   0.826% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  14.11 +/- 1.55   0.938% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    ILE  119  19.60 +/- 3.14   0.522% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ILE  119  12.57 +/- 2.28   1.532% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ILE  119  21.93 +/- 4.72   0.302% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  18.94 +/- 4.03   0.492% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  19.74 +/- 3.84   0.444% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  26.60 +/- 4.53   0.342% *  0.0285% (0.25   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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 267.1:
    * O T QG2   ILE  119 - HA    ILE  119   2.60 +/- 0.28  68.844% * 99.7168% (1.00  10.0 10.00   6.94 267.13) =  99.975%  kept
          QD2   LEU   71 - HA    ILE  119  13.39 +/- 4.29  15.122% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.019%
          QD1   LEU   67 - HA    ILE  119   9.62 +/- 4.11  10.397% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HA    ILE  119  14.42 +/- 2.88   0.653% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119  10.86 +/- 3.23   3.049% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  12.39 +/- 3.38   1.305% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  119  16.84 +/- 3.76   0.630% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 267.1:
    * O T HG12  ILE  119 - HA    ILE  119   2.59 +/- 0.32  88.647% * 99.4466% (1.00  10.0 10.00   7.21 267.13) =  99.994%  kept
          HB2   ASP- 105 - HA    ILE  119  10.13 +/- 4.89   6.100% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    ILE  119  13.42 +/- 3.00   1.586% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    ILE  119  12.00 +/- 2.41   1.259% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ILE  119  18.24 +/- 2.49   0.577% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ILE  119  17.82 +/- 3.16   0.515% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  24.58 +/- 3.51   0.179% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  19.90 +/- 3.32   0.260% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  22.14 +/- 2.95   0.170% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  18.71 +/- 3.70   0.623% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  27.90 +/- 2.74   0.084% *  0.0153% (0.15   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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 6.92, residual support = 265.6:
    * O T HG13  ILE  119 - HA    ILE  119   2.95 +/- 0.53  71.513% * 94.1976% (1.00  10.0 10.00   6.94 267.13) =  99.432%  kept
          HG2   LYS+ 121 - HA    ILE  119   7.11 +/- 0.30   6.218% *  4.8334% (0.31   1.0  1.00   3.32   7.40) =   0.444%  kept
          QG1   VAL  107 - HA    ILE  119   7.15 +/- 2.66  11.450% *  0.7075% (0.15   1.0  1.00   0.97   0.02) =   0.120%  kept
          QB    ALA   20 - HA    ILE  119  16.70 +/- 3.88   1.678% *  0.0647% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HA    ILE  119  11.62 +/- 1.78   1.860% *  0.0496% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HA    ILE  119   8.03 +/- 1.79   6.292% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    ILE  119  20.08 +/- 4.19   0.707% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  20.27 +/- 3.00   0.282% *  0.0940% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 6.14, residual support = 267.1:
    *   T QD1   ILE  119 - HA    ILE  119   3.41 +/- 0.53  90.944% * 99.2846% (0.97 10.00   6.14 267.13) =  99.983%  kept
        T HB    VAL   75 - HA    ILE  119  14.00 +/- 2.06   1.826% *  0.5824% (0.57 10.00   0.02   0.02) =   0.012%
          HB2   LEU  104 - HA    ILE  119  13.20 +/- 5.33   4.632% *  0.0747% (0.73  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HA    ILE  119  12.29 +/- 2.11   2.598% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.66, residual support = 241.5:
    * O T HA    ILE  119 - HB    ILE  119   2.95 +/- 0.09  84.751% * 50.8167% (0.87  10.0 10.00   6.73 267.13) =  87.602%  kept
        T HA    THR  118 - HB    ILE  119   5.61 +/- 0.18  12.427% * 49.0416% (0.84   1.0 10.00   6.18  60.30) =  12.396%  kept
          HA2   GLY  109 - HB    ILE  119  14.07 +/- 2.04   1.002% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    ILE  119  19.94 +/- 2.82   0.697% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  20.39 +/- 3.11   0.554% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - HB    ILE  119  17.23 +/- 2.49   0.570% *  0.0089% (0.15   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 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 = 6.42, residual support = 267.1:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  92.074% * 99.7168% (0.87  10.0 10.00   6.42 267.13) =  99.995%  kept
          QD2   LEU   71 - HB    ILE  119  15.14 +/- 4.04   4.337% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HB    ILE  119  11.24 +/- 3.59   1.848% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.63 +/- 2.43   0.273% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.59 +/- 2.81   0.478% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  12.75 +/- 2.82   0.704% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.86 +/- 3.65   0.286% *  0.0374% (0.33   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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 267.1:
    * O T HG12  ILE  119 - HB    ILE  119   2.62 +/- 0.21  92.921% * 99.4466% (0.87  10.0 10.00   6.31 267.13) =  99.996%  kept
          HB3   PHE   72 - HB    ILE  119  15.29 +/- 3.05   1.389% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  11.38 +/- 4.36   2.565% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB    ILE  119  13.09 +/- 2.38   1.065% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB    ILE  119  17.28 +/- 3.52   0.595% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  18.21 +/- 2.91   0.442% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  21.69 +/- 3.18   0.222% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  26.35 +/- 3.66   0.131% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  23.77 +/- 2.90   0.150% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  19.35 +/- 3.76   0.447% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.59 +/- 2.71   0.074% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 6.04, residual support = 265.5:
    * O T HG13  ILE  119 - HB    ILE  119   2.70 +/- 0.37  76.628% * 95.4312% (0.87  10.0 10.00   6.08 267.13) =  99.403%  kept
        T QG1   VAL  107 - HB    ILE  119   7.07 +/- 2.57  10.315% *  4.1419% (0.13   1.0 10.00   0.56   0.02) =   0.581%  kept
        T QG2   VAL  107 - HB    ILE  119   7.94 +/- 1.85   5.659% *  0.1472% (0.13   1.0 10.00   0.02   0.02) =   0.011%
          HD3   LYS+ 112 - HB    ILE  119  10.08 +/- 1.54   2.405% *  0.0502% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HB    ILE  119  17.74 +/- 3.91   1.650% *  0.0656% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HB    ILE  119   8.96 +/- 0.13   2.342% *  0.0295% (0.27   1.0  1.00   0.02   7.40) =   0.001%
          QG1   VAL   24 - HB    ILE  119  21.04 +/- 4.51   0.788% *  0.0392% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  22.27 +/- 2.74   0.212% *  0.0952% (0.87   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 267.1:
    * O T QD1   ILE  119 - HB    ILE  119   2.57 +/- 0.35  97.153% * 99.2846% (0.84  10.0 10.00   5.56 267.13) =  99.991%  kept
        T QG2   VAL  108 - HB    ILE  119  12.41 +/- 1.78   1.330% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - HB    ILE  119  15.04 +/- 4.56   0.956% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  15.11 +/- 1.84   0.560% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.86, residual support = 248.6:
    * O T HA    ILE  119 - QG2   ILE  119   2.60 +/- 0.28  88.317% * 50.8167% (1.00  10.0 10.00   6.94 267.13) =  91.035%  kept
        T HA    THR  118 - QG2   ILE  119   5.89 +/- 0.22   9.010% * 49.0416% (0.97   1.0 10.00   6.04  60.30) =   8.963%  kept
          HA2   GLY  109 - QG2   ILE  119  13.59 +/- 1.60   0.837% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   ILE  119  17.61 +/- 2.49   0.645% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   ILE  119  17.63 +/- 2.82   0.489% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  14.64 +/- 2.40   0.701% *  0.0089% (0.18   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 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 267.1:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  94.416% * 99.2403% (0.87  10.0 10.00   6.42 267.13) =  99.996%  kept
          HB3   PRO   68 - QG2   ILE  119  12.59 +/- 3.77   1.010% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   ILE  119  12.79 +/- 2.22   0.897% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QG2   ILE  119  17.74 +/- 3.06   0.379% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  17.69 +/- 2.96   0.425% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  12.06 +/- 1.33   0.598% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.46 +/- 2.16   1.044% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  13.97 +/- 1.71   0.373% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  20.12 +/- 3.45   0.141% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  16.28 +/- 3.40   0.295% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  17.17 +/- 3.21   0.254% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  23.37 +/- 4.25   0.168% *  0.0285% (0.25   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 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 = 6.58, residual support = 267.1:
    * O T HG12  ILE  119 - QG2   ILE  119   3.10 +/- 0.23  83.978% * 99.4466% (1.00  10.0 10.00   6.58 267.13) =  99.990%  kept
          HB3   PHE   72 - QG2   ILE  119  12.60 +/- 2.38   2.943% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP- 105 - QG2   ILE  119  10.50 +/- 3.63   5.604% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - QG2   ILE  119  11.26 +/- 2.02   2.243% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QG2   ILE  119  16.40 +/- 2.38   0.917% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QG2   ILE  119  15.77 +/- 2.99   0.907% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   ILE  119  21.79 +/- 3.38   0.517% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  17.23 +/- 2.89   0.679% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  18.98 +/- 2.67   0.457% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  16.42 +/- 3.53   1.536% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.87 +/- 2.38   0.220% *  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 = 6.36, residual support = 267.1:
    * O T HG13  ILE  119 - QG2   ILE  119   2.66 +/- 0.30  82.189% * 99.6771% (1.00  10.0 10.00   6.36 267.13) =  99.993%  kept
          HD3   LYS+ 112 - QG2   ILE  119   9.54 +/- 1.45   2.281% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QG2   ILE  119   7.67 +/- 0.30   3.734% *  0.0308% (0.31   1.0  1.00   0.02   7.40) =   0.001%
          QB    ALA   20 - QG2   ILE  119  14.53 +/- 3.50   1.610% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QG2   ILE  119   7.34 +/- 1.95   5.536% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   7.99 +/- 1.36   3.677% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  18.61 +/- 2.32   0.299% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  17.79 +/- 3.81   0.674% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 267.1:
    *   T QD1   ILE  119 - QG2   ILE  119   1.89 +/- 0.16  98.541% * 99.8078% (0.97 10.00   5.85 267.13) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  13.04 +/- 3.96   0.574% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  11.73 +/- 1.38   0.483% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  12.88 +/- 1.84   0.403% *  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 = 0.996, support = 7.11, residual support = 245.6:
    * O T HA    ILE  119 - HG12  ILE  119   2.59 +/- 0.32  86.767% * 50.8167% (1.00  10.0 10.00   7.21 267.13) =  89.607%  kept
        T HA    THR  118 - HG12  ILE  119   5.68 +/- 0.43  10.426% * 49.0416% (0.97   1.0 10.00   6.29  60.30) =  10.391%  kept
          HA    ALA   84 - HG12  ILE  119  18.12 +/- 2.57   0.801% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HG12  ILE  119  13.49 +/- 1.92   0.777% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  19.10 +/- 2.44   0.482% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  15.06 +/- 2.49   0.747% *  0.0089% (0.18   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 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 267.1:
    * O T HB    ILE  119 - HG12  ILE  119   2.62 +/- 0.21  93.407% * 98.6651% (0.87  10.0 10.00   6.31 267.13) =  99.991%  kept
        T HB2   ARG+  54 - HG12  ILE  119  14.29 +/- 1.59   0.693% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PRO   68 - HG12  ILE  119  15.33 +/- 3.49   0.748% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG12  ILE  119  10.77 +/- 2.21   1.788% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  13.63 +/- 2.12   0.767% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  12.44 +/- 1.05   0.949% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  19.72 +/- 2.93   0.317% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  19.57 +/- 2.86   0.323% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.63 +/- 3.42   0.164% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  19.02 +/- 3.66   0.365% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  20.22 +/- 3.34   0.288% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  26.08 +/- 4.27   0.191% *  0.0284% (0.25   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 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 267.1:
    * O T QG2   ILE  119 - HG12  ILE  119   3.10 +/- 0.23  69.106% * 99.7168% (1.00  10.0 10.00   6.58 267.13) =  99.975%  kept
          QD2   LEU   71 - HG12  ILE  119  13.73 +/- 3.85  15.400% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.019%
          QD1   LEU   67 - HG12  ILE  119   9.71 +/- 3.58   9.265% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HG12  ILE  119  14.35 +/- 2.27   0.902% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  15.85 +/- 3.66   1.312% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  12.48 +/- 2.49   1.638% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  11.52 +/- 2.54   2.377% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.13 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 = 6.77, residual support = 267.1:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  90.443% * 99.6771% (1.00  10.0 10.00   6.77 267.13) =  99.997%  kept
          QG1   VAL  107 - HG12  ILE  119   6.23 +/- 2.39   4.757% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HG12  ILE  119  16.19 +/- 3.65   0.765% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG12  ILE  119   9.49 +/- 1.98   0.869% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   6.90 +/- 1.66   2.259% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.29 +/- 0.22   0.610% *  0.0308% (0.31   1.0  1.00   0.02   7.40) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.46 +/- 4.05   0.228% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.48 +/- 2.58   0.070% *  0.0995% (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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 267.1:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  98.031% * 99.8078% (0.97  10.0 10.00   5.87 267.13) =  99.999%  kept
          HB2   LEU  104 - HG12  ILE  119  13.84 +/- 4.05   0.639% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG12  ILE  119  11.46 +/- 1.70   0.784% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  12.91 +/- 1.92   0.546% *  0.0586% (0.57   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 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.84, residual support = 241.1:
    * O T HA    ILE  119 - HG13  ILE  119   2.95 +/- 0.53  84.083% * 50.8167% (1.00  10.0 10.00   6.94 267.13) =  87.416%  kept
        T HA    THR  118 - HG13  ILE  119   6.39 +/- 0.69  12.540% * 49.0416% (0.97   1.0 10.00   6.09  60.30) =  12.581%  kept
          HA2   GLY  109 - HG13  ILE  119  14.18 +/- 2.02   1.440% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG13  ILE  119  18.82 +/- 2.74   0.630% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  19.28 +/- 2.57   0.449% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  15.61 +/- 2.83   0.858% *  0.0089% (0.18   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 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.08, residual support = 267.1:
    * O T HB    ILE  119 - HG13  ILE  119   2.70 +/- 0.37  91.670% * 99.2403% (0.87  10.0 10.00   6.08 267.13) =  99.994%  kept
          HB3   PRO   68 - HG13  ILE  119  15.26 +/- 3.93   1.448% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG13  ILE  119  20.17 +/- 3.32   0.558% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG13  ILE  119  20.04 +/- 3.33   0.626% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  14.10 +/- 1.97   0.905% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  14.52 +/- 1.74   0.762% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  11.39 +/- 2.28   1.702% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.87 +/- 1.45   0.924% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HG13  ILE  119  23.09 +/- 3.86   0.248% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  19.01 +/- 3.91   0.481% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  20.25 +/- 3.76   0.409% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  26.69 +/- 4.45   0.266% *  0.0285% (0.25   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 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.36, residual support = 267.1:
    * O T QG2   ILE  119 - HG13  ILE  119   2.66 +/- 0.30  74.320% * 99.7168% (1.00  10.0 10.00   6.36 267.13) =  99.979%  kept
          QD2   LEU   71 - HG13  ILE  119  13.88 +/- 4.03  15.452% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.018%
          QD1   LEU   67 - HG13  ILE  119   9.90 +/- 3.53   7.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HG13  ILE  119  15.05 +/- 2.38   0.505% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  119  16.20 +/- 3.84   0.610% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  11.87 +/- 3.01   1.300% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.19 +/- 2.57   0.814% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 267.1:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  96.278% * 99.4466% (1.00  10.0 10.00   6.77 267.13) =  99.998%  kept
          HB3   PHE   72 - HG13  ILE  119  13.78 +/- 3.16   0.828% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HG13  ILE  119  11.20 +/- 3.83   1.547% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.46 +/- 2.24   0.518% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.63 +/- 3.37   0.182% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  17.50 +/- 2.51   0.133% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  17.80 +/- 4.04   0.299% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  20.40 +/- 3.44   0.083% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.05 +/- 3.61   0.052% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  22.32 +/- 3.00   0.056% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  28.15 +/- 2.89   0.026% *  0.0153% (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 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 = 5.64, residual support = 267.1:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  98.254% * 99.8078% (0.97  10.0 10.00   5.64 267.13) =  99.999%  kept
          HB2   LEU  104 - HG13  ILE  119  14.45 +/- 4.23   0.636% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  12.19 +/- 1.45   0.609% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  13.48 +/- 2.15   0.501% *  0.0586% (0.57   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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.12, residual support = 258.0:
    *   T HA    ILE  119 - QD1   ILE  119   3.41 +/- 0.53  75.652% * 78.2254% (0.97 10.00   6.14 267.13) =  95.568%  kept
          HA    THR  118 - QD1   ILE  119   6.47 +/- 0.25  12.761% * 21.4331% (0.93  1.00   5.68  60.30) =   4.417%  kept
          HA    ALA   84 - QD1   ILE  119  15.65 +/- 2.66   5.520% *  0.0702% (0.87  1.00   0.02   0.02) =   0.006%
        T HA    VAL   75 - QD1   ILE  119  12.90 +/- 2.33   2.495% *  0.1370% (0.17 10.00   0.02   0.02) =   0.006%
          HA2   GLY  109 - QD1   ILE  119  12.23 +/- 1.53   2.213% *  0.0568% (0.70  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD1   ILE  119  15.50 +/- 2.18   1.360% *  0.0775% (0.96  1.00   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 267.1:
    * O T HB    ILE  119 - QD1   ILE  119   2.57 +/- 0.35  89.059% * 98.5836% (0.84  10.0 10.00   5.56 267.13) =  99.985%  kept
        T HB    VAL  108 - QD1   ILE  119  12.66 +/- 1.42   0.937% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PRO   68 - QD1   ILE  119  12.63 +/- 3.19   1.549% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QD1   ILE  119  10.96 +/- 1.65   1.750% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - QD1   ILE  119   9.46 +/- 2.04   2.714% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.82 +/- 1.16   1.326% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  16.90 +/- 2.73   0.483% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD1   ILE  119  16.85 +/- 2.76   0.550% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE  119  15.70 +/- 3.09   0.729% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.94 +/- 2.68   0.264% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  16.98 +/- 2.69   0.417% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  22.17 +/- 3.74   0.223% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 267.1:
    *   T QG2   ILE  119 - QD1   ILE  119   1.89 +/- 0.16  90.718% * 99.7168% (0.97 10.00   5.85 267.13) =  99.994%  kept
          QD2   LEU   71 - QD1   ILE  119  11.80 +/- 2.77   4.254% *  0.0865% (0.84  1.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - QD1   ILE  119   8.37 +/- 2.58   2.684% *  0.0197% (0.19  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   ILE  119  13.11 +/- 1.75   0.325% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.19 +/- 3.12   0.624% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.42 +/- 2.07   0.885% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.61 +/- 1.77   0.511% *  0.0277% (0.27  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 = 5.87, residual support = 267.1:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  89.186% * 99.4466% (0.97  10.0 10.00   5.87 267.13) =  99.993%  kept
          HB3   PHE   72 - QD1   ILE  119  11.65 +/- 2.49   5.014% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - QD1   ILE  119   9.44 +/- 2.01   1.544% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119  10.10 +/- 2.95   1.906% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QD1   ILE  119  13.89 +/- 2.77   0.556% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  14.71 +/- 2.26   0.418% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  20.95 +/- 2.99   0.149% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  14.54 +/- 3.32   0.770% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  17.06 +/- 2.39   0.215% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  18.54 +/- 2.52   0.162% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.48 +/- 2.50   0.079% *  0.0153% (0.15   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 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.63, residual support = 267.1:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  84.779% * 99.6771% (0.97  10.0 10.00   5.64 267.13) =  99.995%  kept
          HD3   LYS+ 112 - QD1   ILE  119   7.73 +/- 1.74   3.047% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - QD1   ILE  119   6.38 +/- 1.70   5.373% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   ILE  119  13.53 +/- 3.12   1.070% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   6.72 +/- 1.33   3.900% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   9.16 +/- 0.44   1.127% *  0.0308% (0.30   1.0  1.00   0.02   7.40) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  16.62 +/- 3.49   0.510% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.93 +/- 2.38   0.195% *  0.0995% (0.96   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 = 0.942, support = 2.36, residual support = 13.4:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.02  92.640% * 85.5096% (0.95  10.0 10.00   2.35  13.51) =  99.448%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.80 +/- 0.59   3.135% * 13.9474% (0.15   1.0 10.00   4.42   2.95) =   0.549%  kept
          HG    LEU  115 - HA    ALA  120  10.78 +/- 1.16   0.834% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    ALA  120  15.01 +/- 5.93   1.226% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  16.76 +/- 3.12   0.322% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  17.40 +/- 4.83   0.398% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  11.31 +/- 0.97   0.676% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  15.84 +/- 4.40   0.432% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.58 +/- 3.40   0.155% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  21.32 +/- 3.63   0.183% *  0.0225% (0.25   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 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.939, support = 2.4, residual support = 13.2:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.02  77.465% * 83.8437% (0.95  10.0 10.00   2.35  13.51) =  97.108%  kept
          HA    LYS+ 121 - QB    ALA  120   3.87 +/- 0.06  12.999% * 13.5043% (0.72   1.0  1.00   4.22   2.95) =   2.625%  kept
          QB    SER  117 - QB    ALA  120   4.66 +/- 0.35   8.001% *  2.2263% (0.39   1.0  1.00   1.29   5.23) =   0.266%  kept
          HB    THR   94 - QB    ALA  120  14.98 +/- 2.09   0.325% *  0.0700% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA  120  15.01 +/- 1.95   0.269% *  0.0641% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  19.21 +/- 2.68   0.178% *  0.0774% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  20.35 +/- 3.09   0.156% *  0.0700% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  19.56 +/- 4.46   0.156% *  0.0700% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  18.56 +/- 2.85   0.181% *  0.0576% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  17.06 +/- 3.12   0.271% *  0.0166% (0.19   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 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 = 0.939, support = 7.92, residual support = 295.9:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.99 +/- 0.04  46.349% * 76.7829% (1.00  10.0 10.00   8.30 313.21) =  92.522%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.54 +/- 0.45  30.661% *  4.8086% (0.06   1.0 10.00   4.87 156.54) =   3.833%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.33 +/- 0.56   8.706% * 16.0087% (0.31   1.0 10.00   1.35   2.59) =   3.623%  kept
        T QD    LYS+  65 - HA    LYS+ 121  16.93 +/- 2.31   0.369% *  0.7661% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HA    LYS+ 121  18.48 +/- 4.08   0.315% *  0.6886% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HA    LYS+ 121  18.28 +/- 5.91   0.394% *  0.4040% (0.53   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.91 +/- 2.25   0.208% *  0.2135% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  65   8.12 +/- 2.97   8.070% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  15.76 +/- 1.66   0.357% *  0.0482% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.79 +/- 3.54   0.312% *  0.0466% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.73 +/- 2.05   0.548% *  0.0237% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  17.98 +/- 2.48   0.297% *  0.0432% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.72 +/- 3.60   0.378% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.01 +/- 3.14   0.305% *  0.0254% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.34 +/- 3.31   0.095% *  0.0753% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  17.29 +/- 3.25   0.320% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.64 +/- 2.00   1.242% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.81 +/- 3.05   0.115% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  18.21 +/- 3.17   0.285% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  16.48 +/- 3.64   0.673% *  0.0016% (0.02   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 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.2:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.55 +/- 0.29  87.770% * 99.6412% (1.00  10.0 10.00   7.34 313.21) =  99.996%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.42 +/- 1.87   1.767% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HA    LYS+ 121   8.75 +/- 0.42   2.371% *  0.0308% (0.31   1.0  1.00   0.02   7.40) =   0.001%
          QB    ALA   20 - HA    LYS+ 121  19.91 +/- 4.07   0.781% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    LYS+ 121  16.96 +/- 5.21   0.594% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.58 +/- 2.01   0.395% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65   9.42 +/- 2.32   3.479% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  21.62 +/- 4.51   0.219% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.43 +/- 2.15   0.913% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  13.08 +/- 2.15   0.961% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  18.45 +/- 2.24   0.296% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  16.45 +/- 2.00   0.454% *  0.0017% (0.02   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 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.71, residual support = 312.6:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.32 +/- 0.43  74.507% * 97.9079% (1.00  10.0 10.00   6.73 313.21) =  99.795%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.07 +/- 0.41   9.038% *  1.5864% (0.49   1.0  1.00   0.67   2.59) =   0.196%  kept
        T QD2   LEU   73 - HA    LYS+ 121  16.26 +/- 3.43   0.938% *  0.3340% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HA    LYS+ 121  12.40 +/- 1.77   2.957% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU   73 - HA    LYS+  65   8.66 +/- 1.16   6.073% *  0.0210% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HA    LYS+  65  17.37 +/- 2.05   0.649% *  0.0615% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    LYS+  65  12.16 +/- 1.97   2.597% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  21.79 +/- 3.87   0.373% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  14.51 +/- 3.23   1.826% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  15.14 +/- 2.02   1.041% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.617, support = 7.78, residual support = 299.9:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.96 +/- 0.46  13.399% * 69.2258% (1.00   1.0 10.00   7.78 313.21) =  47.408%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.48 +/- 0.18  40.986% * 21.3664% (0.31  10.0 10.00   8.20 313.21) =  44.760%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.91 +/- 0.72  32.014% *  4.3065% (0.06  10.0 10.00   5.27 156.54) =   7.047%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.00 +/- 0.93   4.288% *  3.4792% (0.05   1.0 10.00   5.70  30.36) =   0.763%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.22 +/- 4.18   0.452% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+  65 - HA    LYS+ 121  18.30 +/- 1.90   0.120% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+  74 - HA    LYS+  65   8.46 +/- 3.06   3.681% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+ 121  21.40 +/- 3.81   0.201% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  14.43 +/- 6.79   0.799% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  21.20 +/- 3.58   0.124% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 1.82   0.181% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.16 +/- 3.67   0.144% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.44 +/- 2.42   2.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  15.56 +/- 5.50   0.395% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.51 +/- 2.00   0.165% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.01 +/- 1.70   0.149% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  12.40 +/- 1.69   0.402% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.96 +/- 3.38   0.177% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  14.03 +/- 1.30   0.238% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.06 +/- 2.58   0.079% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.962, support = 6.62, residual support = 253.9:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.13 +/- 0.63  64.174% * 55.7459% (1.00   6.70 313.21) =  77.012%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.94 +/- 0.34  24.262% * 44.0070% (0.84   6.34  55.33) =  22.985%  kept
          HG2   GLN   30 - HA    LYS+ 121  23.29 +/- 3.99   0.508% *  0.1142% (0.69   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    LYS+ 121  26.30 +/- 4.71   0.381% *  0.0746% (0.45   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    LYS+  65  13.95 +/- 2.93   3.033% *  0.0087% (0.05   0.02   0.02) =   0.001%
          HG2   GLN   30 - HA    LYS+  65  13.81 +/- 2.43   2.708% *  0.0072% (0.04   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  14.77 +/- 1.75   1.860% *  0.0104% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  26.17 +/- 3.68   0.612% *  0.0257% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.27 +/- 1.96   0.870% *  0.0047% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  16.07 +/- 3.11   1.592% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 8.22, residual support = 303.5:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.99 +/- 0.04  74.904% * 81.8134% (1.00  10.0 10.00   8.30 313.21) =  96.882%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.66 +/- 0.20  11.207% * 17.5096% (0.76   1.0  1.00   5.60   2.95) =   3.102%  kept
          QB    SER  117 - HB2   LYS+ 121   6.69 +/- 1.14   9.188% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - HB2   LYS+ 121  15.76 +/- 1.66   0.573% *  0.2791% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - HB2   LYS+ 121  15.33 +/- 2.62   1.084% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.20 +/- 1.73   1.915% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LYS+ 121  21.87 +/- 2.77   0.238% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  21.53 +/- 2.22   0.232% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  20.77 +/- 5.45   0.417% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  22.28 +/- 2.86   0.243% *  0.0336% (0.41   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 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 = 0.999, support = 7.74, residual support = 312.8:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.97 +/- 0.12  83.115% * 98.1318% (1.00  10.0 10.00   7.75 313.21) =  99.854%  kept
          HG13  ILE  119 - HB2   LYS+ 121   7.02 +/- 0.62   6.872% *  1.6240% (0.31   1.0  1.00   1.07   7.40) =   0.137%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.51 +/- 1.95   5.310% *  0.0906% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   20 - HB2   LYS+ 121  18.22 +/- 4.04   3.129% *  0.0786% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB2   LYS+ 121  14.96 +/- 5.13   1.178% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   LYS+ 121  19.87 +/- 4.13   0.397% *  0.0273% (0.28   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 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 7.13, residual support = 310.5:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.71 +/- 0.08  92.792% * 81.5366% (1.00  10.0 10.00   7.18 313.21) =  99.135%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.03 +/- 0.13   3.622% * 18.1176% (0.49   1.0 10.00   0.91   2.59) =   0.860%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  14.35 +/- 3.49   1.141% *  0.2781% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HB2   LYS+ 121  10.71 +/- 1.44   2.147% *  0.0495% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LYS+ 121  19.87 +/- 3.55   0.297% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 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 = 0.753, support = 8.5, residual support = 313.2:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.20 +/- 0.35  35.087% * 74.7463% (1.00  10.0 10.00   8.38 313.21) =  64.286%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  63.139% * 23.0703% (0.31  10.0 10.00   8.71 313.21) =  35.705%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.94 +/- 3.50   0.310% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.84 +/- 3.96   0.146% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.30 +/- 1.54   0.086% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.11 +/- 4.07   0.282% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  13.11 +/- 6.22   0.472% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.66 +/- 3.38   0.065% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  14.16 +/- 4.89   0.274% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.95 +/- 2.10   0.138% *  0.0166% (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 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 7.02, residual support = 258.0:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.54 +/- 0.34  72.740% * 56.7270% (1.00   7.16 313.21) =  78.604%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.23 +/- 0.50  26.077% * 43.0686% (0.84   6.51  55.33) =  21.394%  kept
          HG2   GLN   30 - HB2   LYS+ 121  21.49 +/- 3.79   0.462% *  0.1089% (0.69   0.02   0.02) =   0.001%
          HB3   ASN   28 - HB2   LYS+ 121  24.48 +/- 4.32   0.349% *  0.0711% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  23.81 +/- 3.47   0.372% *  0.0245% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.998, support = 7.32, residual support = 310.4:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.55 +/- 0.29  87.957% * 84.3163% (1.00  10.0 10.00   7.34 313.21) =  99.095%  kept
          HA    ALA  120 - HG2   LYS+ 121   7.02 +/- 0.17   4.482% * 14.9860% (0.76   1.0  1.00   4.65   2.95) =   0.897%  kept
          QB    SER  117 - HG2   LYS+ 121   8.18 +/- 1.41   5.032% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HG2   LYS+ 121  17.58 +/- 2.01   0.396% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+ 121  17.29 +/- 2.89   0.541% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG2   LYS+ 121  13.58 +/- 1.77   0.822% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  23.57 +/- 2.52   0.158% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  24.26 +/- 3.17   0.141% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  21.48 +/- 6.02   0.306% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  23.61 +/- 3.26   0.166% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 7.75, residual support = 313.2:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.97 +/- 0.12  88.587% * 99.4783% (1.00  10.0 10.00   7.75 313.21) =  99.994%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.52 +/- 0.69   5.930% *  0.0307% (0.31   1.0  1.00   0.02   2.59) =   0.002%
          QD    LYS+  38 - HG2   LYS+ 121  17.29 +/- 4.18   0.772% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG2   LYS+ 121  17.05 +/- 2.06   0.564% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  17.03 +/- 6.57   1.052% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG2   LYS+ 121  20.36 +/- 3.81   0.577% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  17.67 +/- 3.56   0.972% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  15.15 +/- 2.16   0.925% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  24.58 +/- 3.91   0.215% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  19.44 +/- 2.74   0.406% *  0.0277% (0.28   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 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 = 313.2:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.496% * 99.3314% (1.00  10.0 10.00   6.31 313.21) =  99.998%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  15.44 +/- 3.91   0.247% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.74 +/- 0.49   0.824% *  0.0483% (0.49   1.0  1.00   0.02   2.59) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.77 +/- 1.67   0.346% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  20.60 +/- 4.39   0.086% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.809, support = 7.33, residual support = 313.2:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.87 +/- 0.09  42.390% * 75.5250% (1.00  10.0 10.00   7.21 313.21) =  72.416%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.67 +/- 0.14  52.292% * 23.3106% (0.31  10.0 10.00   7.67 313.21) =  27.572%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  15.48 +/- 3.70   0.479% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU  104 - HG2   LYS+ 121  12.94 +/- 7.49   2.511% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.06 +/- 4.00   0.376% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG2   LYS+ 121  17.02 +/- 2.56   0.260% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   LYS+ 121  20.63 +/- 4.06   0.264% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  14.27 +/- 5.87   1.078% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.29 +/- 1.72   0.183% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  20.59 +/- 3.60   0.168% *  0.0729% (0.97   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 6.3, residual support = 309.1:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.41 +/- 0.48  92.845% * 81.5379% (1.00  10.0   6.31 313.21) =  98.395%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.40 +/- 0.78   6.725% * 18.3569% (0.84   1.0   5.39  55.33) =   1.605%  kept
          HG2   GLN   30 - HG2   LYS+ 121  22.39 +/- 4.19   0.148% *  0.0560% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  25.15 +/- 5.12   0.114% *  0.0366% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  25.89 +/- 3.42   0.168% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.997, support = 6.69, residual support = 309.0:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.32 +/- 0.43  63.248% * 85.6431% (1.00  10.0 10.00   6.73 313.21) =  98.657%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.59 +/- 0.44   5.487% * 13.0922% (0.76   1.0  1.00   4.00   2.95) =   1.308%  kept
          QB    SER  117 - HG3   LYS+ 121   7.70 +/- 1.55   7.898% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - QD2   LEU   73   8.66 +/- 1.16   5.161% *  0.0996% (0.12   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LYS+ 121 - QD2   LEU   73  16.26 +/- 3.43   0.794% *  0.2920% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HG3   LYS+ 121  17.37 +/- 2.05   0.550% *  0.2921% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - HG3   LYS+ 121  16.40 +/- 2.94   1.143% *  0.0849% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD2   LEU   73  10.56 +/- 2.20   2.933% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD2   LEU   73  13.34 +/- 2.27   1.275% *  0.0276% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG3   LYS+ 121  13.20 +/- 1.90   1.385% *  0.0238% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  15.00 +/- 3.08   1.212% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  11.79 +/- 3.09   2.074% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73  10.20 +/- 2.01   3.011% *  0.0081% (0.09   1.0  1.00   0.02   0.40) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  17.62 +/- 2.87   0.691% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  21.54 +/- 6.02   0.567% *  0.0352% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  23.76 +/- 2.90   0.226% *  0.0849% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  22.94 +/- 2.24   0.234% *  0.0810% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.06 +/- 2.65   1.200% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.64 +/- 2.56   0.636% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  22.87 +/- 3.15   0.274% *  0.0352% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.995, support = 7.16, residual support = 311.4:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.71 +/- 0.08  72.116% * 89.5206% (1.00  10.0 10.00   7.18 313.21) =  99.367%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.67 +/- 0.95   5.749% *  5.0489% (0.21   1.0  1.00   5.45  41.48) =   0.447%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.37 +/- 0.39   2.501% *  4.5419% (0.31   1.0 10.00   0.33   2.59) =   0.175%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  14.35 +/- 3.49   0.886% *  0.3053% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   83 - QD2   LEU   73  11.36 +/- 4.19   2.915% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU   73   9.71 +/- 1.10   1.852% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  11.90 +/- 2.60   4.762% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  12.05 +/- 2.25   1.320% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  17.31 +/- 3.89   0.434% *  0.0803% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  16.46 +/- 6.30   0.688% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  16.93 +/- 3.49   1.045% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  16.89 +/- 1.89   0.345% *  0.0893% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.93 +/- 4.12   0.514% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.06 +/- 2.66   2.361% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  14.90 +/- 1.83   0.562% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.63 +/- 2.58   0.889% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  23.85 +/- 3.93   0.159% *  0.0877% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  18.69 +/- 2.79   0.290% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.49 +/- 2.52   0.354% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.37 +/- 2.70   0.258% *  0.0085% (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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.2:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  90.521% * 98.9593% (1.00  10.0 10.00   6.31 313.21) =  99.994%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.29 +/- 2.29   1.912% *  0.0938% (0.09   1.0 10.00   0.02   2.00) =   0.002%
          QG2   VAL  107 - HG3   LYS+ 121   9.45 +/- 2.36   1.052% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - QD2   LEU   73  15.44 +/- 3.91   0.227% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD2   LEU   73   6.20 +/- 1.61   2.794% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HG3   LYS+ 121  19.18 +/- 4.36   0.457% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  10.81 +/- 2.29   1.012% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  19.77 +/- 5.30   0.110% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.55 +/- 0.55   0.576% *  0.0305% (0.31   1.0  1.00   0.02   7.40) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  14.68 +/- 5.99   0.334% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.25 +/- 2.75   0.588% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.81 +/- 2.37   0.417% *  0.0104% (0.11   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 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 = 0.759, support = 6.74, residual support = 310.2:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.87 +/- 0.11  29.489% * 67.4610% (1.00  10.0 10.00   6.64 313.21) =  65.368%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.41 +/- 0.26  49.024% * 20.8217% (0.31  10.0 10.00   7.00 313.21) =  33.541%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.73 +/- 0.61   4.217% *  5.2911% (0.26   1.0  1.00   6.02  41.48) =   0.733%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.71 +/- 0.87   1.688% *  4.5525% (0.07   1.0 10.00   2.90  41.48) =   0.252%  kept
          QG2   THR   26 - QD2   LEU   73   5.95 +/- 2.06   5.597% *  0.4445% (0.33   1.0  1.00   0.40   0.02) =   0.082%
        T QD    LYS+  66 - HG3   LYS+ 121  15.50 +/- 3.47   0.538% *  0.5402% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   LYS+ 121 - QD2   LEU   73  13.93 +/- 3.79   0.603% *  0.2300% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  66 - QD2   LEU   73  11.94 +/- 1.09   0.454% *  0.1842% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HG3   LYS+ 121  12.43 +/- 7.19   2.039% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.66 +/- 4.26   0.285% *  0.1335% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD2   LEU   73  15.19 +/- 3.77   0.372% *  0.0710% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73   9.54 +/- 1.47   1.102% *  0.0228% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG3   LYS+ 121  20.18 +/- 4.44   0.218% *  0.0516% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  20.20 +/- 4.01   0.132% *  0.0651% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.06 +/- 1.69   0.127% *  0.0669% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.74 +/- 3.17   1.152% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  14.11 +/- 5.61   0.643% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.98 +/- 2.06   1.788% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  16.28 +/- 2.77   0.235% *  0.0150% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.27 +/- 2.60   0.297% *  0.0051% (0.08   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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 5.97, residual support = 307.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.84 +/- 0.52  67.101% * 81.8669% (1.00  10.0   6.00 313.21) =  97.914%  kept
          HB3   HIS  122 - HG3   LYS+ 121   6.98 +/- 0.63   6.089% * 17.3829% (0.84   1.0   5.08  55.33) =   1.887%  kept
          HG2   GLN   30 - QD2   LEU   73   5.90 +/- 2.48  19.183% *  0.5765% (0.23   1.0   0.60   5.87) =   0.197%  kept
          QE    LYS+ 121 - QD2   LEU   73  12.89 +/- 3.27   1.728% *  0.0279% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   9.11 +/- 2.06   2.864% *  0.0125% (0.15   1.0   0.02   1.21) =   0.001%
          HB3   HIS  122 - QD2   LEU   73  14.17 +/- 3.07   1.062% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  21.99 +/- 4.59   0.294% *  0.0562% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  24.52 +/- 5.49   0.295% *  0.0367% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.68 +/- 2.03   1.251% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  25.33 +/- 3.48   0.134% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.956, support = 7.3, residual support = 268.2:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.96 +/- 0.46  28.825% * 54.8311% (1.00 10.00   7.78 313.21) =  85.389%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.80 +/- 0.59   5.784% * 41.9035% (0.76 10.00   4.42   2.95) =  13.095%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.00 +/- 0.93  10.676% *  2.3257% (0.04 10.00   5.70  30.36) =   1.341%  kept
          QB    SER  117 - HD2   LYS+ 121   7.70 +/- 1.94   9.337% *  0.2624% (0.84  1.00   0.11   0.02) =   0.132%  kept
        T HA    LYS+  65 - HD3   LYS+  74   8.46 +/- 3.06   9.076% *  0.0292% (0.05 10.00   0.02   0.02) =   0.014%
        T HA    LYS+  65 - HD2   LYS+ 121  15.58 +/- 1.82   0.611% *  0.1870% (0.34 10.00   0.02   0.02) =   0.006%
        T HA    LYS+ 121 - QD    LYS+  66  15.22 +/- 4.18   0.988% *  0.0682% (0.12 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - HD3   LYS+  74  21.40 +/- 3.81   0.670% *  0.0855% (0.16 10.00   0.02   0.02) =   0.003%
          QB    SER   48 - QD    LYS+  66  15.75 +/- 5.92   6.554% *  0.0064% (0.12  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    LYS+  66  17.26 +/- 5.45   6.045% *  0.0068% (0.12  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HD2   LYS+ 121  15.45 +/- 2.91   0.648% *  0.0543% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD2   LYS+ 121  11.27 +/- 1.94   1.686% *  0.0152% (0.28  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  12.45 +/- 4.62   2.896% *  0.0081% (0.15  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66  13.67 +/- 5.15   2.352% *  0.0052% (0.10  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD2   LYS+ 121  22.25 +/- 3.13   0.223% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD2   LYS+ 121  21.71 +/- 2.20   0.189% *  0.0519% (0.95  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+  74  13.41 +/- 3.44   1.033% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  20.29 +/- 5.46   0.377% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.78 +/- 3.25   1.091% *  0.0071% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  12.23 +/- 3.70   2.382% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74  11.16 +/- 3.63   2.422% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  22.34 +/- 3.07   0.215% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.68 +/- 0.94   2.216% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  15.08 +/- 2.65   0.726% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  16.21 +/- 2.61   0.595% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  17.39 +/- 3.03   0.449% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  20.41 +/- 4.01   0.549% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  16.03 +/- 3.08   0.667% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.32 +/- 2.17   0.457% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  21.33 +/- 2.97   0.260% *  0.0028% (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 = 0.855, support = 7.59, residual support = 290.2:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.20 +/- 0.35  31.275% * 79.1506% (1.00  10.0 10.00   8.38 313.21) =  83.962%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  56.267% *  7.4880% (0.09  10.0  1.00   3.34 186.70) =  14.291%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.29 +/- 1.51   5.178% *  9.8204% (0.12   1.0 10.00   4.35  30.36) =   1.725%  kept
        T QD    LYS+  65 - HD3   LYS+  74   7.91 +/- 2.89   1.872% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  65 - HD2   LYS+ 121  15.21 +/- 1.81   0.102% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.28 +/- 3.95   0.149% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HD2   LYS+ 121  17.06 +/- 3.38   0.094% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HD2   LYS+ 121  16.85 +/- 5.99   0.134% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QD    LYS+  66  20.78 +/- 4.18   0.688% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.11 +/- 4.07   0.253% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - QD    LYS+  66  13.94 +/- 3.50   0.278% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.68 +/- 0.78   0.746% *  0.0244% (0.31   1.0  1.00   0.02   2.59) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  18.50 +/- 2.64   0.063% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.77 +/- 2.70   0.070% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  20.66 +/- 2.57   0.042% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  13.38 +/- 2.17   0.186% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  15.96 +/- 3.29   0.150% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  11.61 +/- 3.40   0.512% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  22.91 +/- 3.93   0.035% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.65 +/- 2.75   0.037% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  11.66 +/- 4.50   0.529% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  14.09 +/- 2.06   0.134% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  21.79 +/- 3.38   0.052% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  14.02 +/- 5.55   0.462% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  24.24 +/- 3.68   0.028% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.37 +/- 1.50   0.248% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.36 +/- 3.42   0.206% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  19.98 +/- 3.12   0.053% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  16.16 +/- 2.99   0.105% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.41 +/- 4.25   0.053% *  0.0038% (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 = 0.999, support = 7.2, residual support = 312.8:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.09  62.321% * 99.0060% (1.00  10.0 10.00   7.21 313.21) =  99.875%  kept
          QB    ALA   20 - HD3   LYS+  74   5.98 +/- 2.63  18.418% *  0.3743% (0.12   1.0  1.00   0.61   6.97) =   0.112%  kept
          QG2   VAL  107 - HD2   LYS+ 121   8.98 +/- 2.44   4.053% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          HG13  ILE  119 - HD2   LYS+ 121   7.89 +/- 0.98   3.490% *  0.0306% (0.31   1.0  1.00   0.02   7.40) =   0.002%
        T HG2   LYS+ 121 - QD    LYS+  66  15.48 +/- 3.70   0.696% *  0.1231% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HD2   LYS+ 121  18.08 +/- 4.03   1.038% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.06 +/- 4.00   0.327% *  0.1544% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HD2   LYS+ 121  14.66 +/- 5.75   1.016% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    LYS+  66  11.92 +/- 2.31   1.277% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  13.23 +/- 2.07   0.831% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  19.27 +/- 4.51   0.335% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  11.52 +/- 3.48   2.296% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  14.36 +/- 2.23   0.595% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  16.05 +/- 3.96   1.173% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  18.54 +/- 3.15   1.130% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  18.48 +/- 2.68   0.321% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  19.16 +/- 2.49   0.297% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.67 +/- 1.91   0.384% *  0.0043% (0.04   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 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 313.2:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.11  70.044% * 99.1222% (1.00  10.0 10.00   6.64 313.21) =  99.982%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  13.93 +/- 3.79   1.183% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU   73 - HD3   LYS+  74   7.71 +/- 0.87   4.098% *  0.0527% (0.05   1.0 10.00   0.02  41.48) =   0.003%
          QD2   LEU  123 - HD2   LYS+ 121   8.62 +/- 0.50   2.727% *  0.0482% (0.49   1.0  1.00   0.02   2.59) =   0.002%
        T HG3   LYS+ 121 - QD    LYS+  66  15.50 +/- 3.47   1.043% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.66 +/- 4.26   0.776% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HD2   LYS+ 121  11.12 +/- 1.61   1.836% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - QD    LYS+  66  11.42 +/- 5.00  10.930% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD    LYS+  66  11.94 +/- 1.09   1.102% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  12.97 +/- 2.70   1.651% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.20 +/- 1.55   1.766% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  19.35 +/- 3.76   0.304% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  18.15 +/- 4.03   0.509% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  17.70 +/- 3.16   1.393% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.61 +/- 1.85   0.637% *  0.0034% (0.03   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 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 = 0.994, support = 6.52, residual support = 303.7:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.23 +/- 0.09  78.525% * 79.6052% (1.00  10.0  1.00   6.55 313.21) =  96.325%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.29 +/- 1.34  12.160% * 19.5923% (0.84   1.0  1.00   5.89  55.33) =   3.671%  kept
        T HG2   GLN   30 - HD3   LYS+  74  12.86 +/- 1.95   0.781% *  0.0853% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - HD2   LYS+ 121  21.03 +/- 3.70   0.121% *  0.5468% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - QD    LYS+  66  11.79 +/- 4.64   3.514% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  16.76 +/- 2.42   0.280% *  0.0680% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  13.14 +/- 3.12   0.671% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  17.84 +/- 3.45   0.476% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  21.55 +/- 3.72   1.102% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  24.02 +/- 4.46   0.093% *  0.0357% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  18.12 +/- 4.02   0.308% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.36 +/- 2.05   1.119% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  23.88 +/- 3.51   0.108% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.60 +/- 1.62   0.184% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  17.56 +/- 3.85   0.557% *  0.0015% (0.02   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 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 = 71.0:
    * O T HB2   HIS  122 - HA    HIS  122   2.59 +/- 0.24  99.289% * 99.8210% (1.00  10.0 10.00   2.76  71.03) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  16.29 +/- 0.87   0.418% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.29 +/- 2.41   0.293% *  0.0895% (0.90   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 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 3.76, residual support = 69.9:
    * O T HB3   HIS  122 - HA    HIS  122   2.75 +/- 0.31  62.474% * 87.8901% (1.00  10.0 10.00   3.80  71.03) =  92.515%  kept
          QE    LYS+ 121 - HA    HIS  122   4.41 +/- 1.94  36.932% * 12.0284% (0.84   1.0  1.00   3.28  55.33) =   7.485%  kept
          HG2   GLN   30 - HA    HIS  122  21.28 +/- 4.08   0.289% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  25.52 +/- 3.85   0.206% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  25.07 +/- 3.98   0.100% *  0.0154% (0.18   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.0:
    * O T HA    HIS  122 - HB2   HIS  122   2.59 +/- 0.24  97.580% * 99.8702% (1.00  10.0 10.00   2.76  71.03) =  99.998%  kept
          HA    VAL   41 - HB2   HIS  122  14.37 +/- 5.24   1.651% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   HIS  122  20.72 +/- 3.30   0.401% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.68 +/- 2.21   0.368% *  0.0249% (0.25   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 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 = 0.998, support = 3.72, residual support = 70.9:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  93.793% * 85.9503% (1.00  10.0 10.00   3.72  71.03) =  98.981%  kept
          QE    LYS+ 121 - HB2   HIS  122   5.82 +/- 1.90   5.940% * 13.9700% (0.84   1.0  1.00   3.89  55.33) =   1.019%  kept
          HG2   GLN   30 - HB2   HIS  122  20.13 +/- 4.32   0.138% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  23.99 +/- 4.10   0.083% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.29 +/- 3.73   0.046% *  0.0151% (0.18   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 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 71.0:
    * O T HA    HIS  122 - HB3   HIS  122   2.75 +/- 0.31  97.312% * 99.8702% (1.00  10.0 10.00   3.80  71.03) =  99.998%  kept
          HA    VAL   41 - HB3   HIS  122  14.73 +/- 5.45   1.667% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   HIS  122  20.18 +/- 3.29   0.553% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.38 +/- 2.47   0.468% *  0.0249% (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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 71.0:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.688% * 99.8210% (1.00  10.0 10.00   3.72  71.03) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.87 +/- 1.47   0.183% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  17.46 +/- 2.47   0.129% *  0.0895% (0.90   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 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 = 6.13, residual support = 201.7:
    * O T HB2   LEU  123 - HA    LEU  123   2.91 +/- 0.20  87.951% * 98.5720% (1.00  10.0 10.00   6.13 201.74) =  99.984%  kept
        T QD    LYS+  99 - HA    LEU  123  16.81 +/- 7.21   1.739% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 106 - HA    LEU  123  17.76 +/- 3.70   0.537% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LEU  123   7.74 +/- 0.12   4.758% *  0.0304% (0.31   1.0  1.00   0.02   2.59) =   0.002%
          HG3   PRO   93 - HA    LEU  123  19.77 +/- 4.14   1.208% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HA    LEU  123  15.28 +/- 4.05   1.617% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HA    LEU  123  19.65 +/- 4.46   0.710% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.01 +/- 4.30   0.491% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  21.80 +/- 5.67   0.375% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  21.42 +/- 1.22   0.229% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  21.75 +/- 3.02   0.237% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  27.24 +/- 3.75   0.148% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 201.7:
    * O T HB3   LEU  123 - HA    LEU  123   2.55 +/- 0.17  97.404% * 99.6484% (1.00  10.0 10.00   5.51 201.74) =  99.998%  kept
          QB    ALA   57 - HA    LEU  123  13.55 +/- 2.90   1.351% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HA    LEU  123  21.47 +/- 4.26   0.300% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.63 +/- 3.91   0.271% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  21.95 +/- 1.49   0.163% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  21.10 +/- 4.02   0.512% *  0.0197% (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 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.37, residual support = 200.4:
    * O T HG    LEU  123 - HA    LEU  123   3.47 +/- 0.62  64.659% * 96.6277% (0.69  10.0 10.00   5.41 201.74) =  99.317%  kept
          HG3   PRO   68 - HA    LEU  123  13.57 +/- 7.89  18.901% *  2.1982% (0.92   1.0  1.00   0.34   0.02) =   0.660%  kept
        T HB    ILE   56 - HA    LEU  123  13.97 +/- 2.87   2.278% *  0.2464% (0.18   1.0 10.00   0.02   0.02) =   0.009%
          HB3   PRO   52 - HA    LEU  123  20.91 +/- 4.82   2.302% *  0.0966% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    LEU  123  15.25 +/- 5.84   1.498% *  0.1175% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    LEU  123  12.08 +/- 5.60   6.444% *  0.0217% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    LEU  123  20.79 +/- 3.66   0.771% *  0.1220% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LEU  123  21.92 +/- 4.84   0.545% *  0.1021% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  17.02 +/- 3.14   0.680% *  0.0740% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  21.27 +/- 4.96   0.378% *  0.1262% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    LEU  123  26.47 +/- 3.60   0.269% *  0.0910% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  20.77 +/- 4.71   0.418% *  0.0578% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  19.59 +/- 4.54   0.598% *  0.0391% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  26.29 +/- 4.57   0.258% *  0.0796% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 201.2:
    *   T QD1   LEU  123 - HA    LEU  123   2.65 +/- 0.70  79.362% * 98.0661% (1.00 10.00   6.00 201.74) =  99.723%  kept
          QG1   VAL   70 - HA    LEU  123  11.13 +/- 4.74  12.844% *  1.6386% (0.92  1.00   0.36   0.02) =   0.270%  kept
          QD1   LEU   71 - HA    LEU  123  15.26 +/- 4.92   2.562% *  0.0981% (1.00  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HA    LEU  123  15.52 +/- 4.87   1.764% *  0.0819% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    LEU  123  16.96 +/- 7.20   1.725% *  0.0819% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU  123  13.01 +/- 3.78   1.743% *  0.0335% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 201.7:
    *   T QD2   LEU  123 - HA    LEU  123   2.87 +/- 0.38  94.866% * 99.9316% (1.00 10.00   4.89 201.74) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.24 +/- 0.38   3.318% *  0.0486% (0.49  1.00   0.02   2.59) =   0.002%
          HB3   LEU  104 - HA    LEU  123  16.96 +/- 7.20   1.816% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 201.7:
    * O T HA    LEU  123 - HB2   LEU  123   2.91 +/- 0.20  94.011% * 98.7431% (1.00  10.0 10.00   6.13 201.74) =  99.992%  kept
        T HA    LYS+  99 - HB2   LEU  123  20.10 +/- 5.78   0.506% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   56 - HB2   LEU  123  14.30 +/- 2.39   1.409% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  13.55 +/- 2.53   1.711% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LEU  123  13.13 +/- 1.25   1.188% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  18.33 +/- 5.05   0.602% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  24.35 +/- 4.19   0.207% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  23.71 +/- 5.37   0.240% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  29.02 +/- 5.96   0.126% *  0.0337% (0.34   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 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 = 5.44, residual support = 201.7:
    * O T HG    LEU  123 - HB2   LEU  123   2.47 +/- 0.30  89.649% * 97.8726% (0.69  10.0 10.00   5.44 201.74) =  99.985%  kept
        T QB    LYS+ 106 - HB2   LEU  123  15.91 +/- 2.85   0.535% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.005%
          HG3   PRO   68 - HB2   LEU  123  15.18 +/- 7.13   2.395% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HB2   LEU  123  14.24 +/- 5.57   1.600% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HB2   LEU  123  19.90 +/- 4.00   0.296% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   LEU  123  25.74 +/- 4.97   0.870% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LEU  123  13.04 +/- 5.17   2.058% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB2   LEU  123  20.06 +/- 4.43   0.393% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  20.54 +/- 4.51   0.289% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.81 +/- 4.57   0.345% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  20.45 +/- 3.14   0.231% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  13.39 +/- 2.55   0.898% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.23 +/- 4.20   0.279% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  25.24 +/- 3.91   0.163% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 201.7:
    * O T QD1   LEU  123 - HB2   LEU  123   2.51 +/- 0.25  93.978% * 99.6081% (1.00  10.0 10.00   5.99 201.74) =  99.995%  kept
          QG1   VAL   70 - HB2   LEU  123  11.99 +/- 4.33   2.347% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB2   LEU  123  16.33 +/- 4.76   1.031% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  16.52 +/- 6.68   0.836% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  123  16.30 +/- 4.50   0.597% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  13.43 +/- 3.76   1.212% *  0.0340% (0.34   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 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.98, residual support = 201.0:
    * O T QD2   LEU  123 - HB2   LEU  123   3.03 +/- 0.17  93.827% * 92.5745% (1.00  10.0 10.00   5.00 201.74) =  99.602%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.37 +/- 0.39   4.681% *  7.4072% (0.49   1.0 10.00   0.33   2.59) =   0.398%  kept
          HB3   LEU  104 - HB2   LEU  123  16.52 +/- 6.68   1.492% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 201.7:
    * O T HA    LEU  123 - HG    LEU  123   3.47 +/- 0.62  85.312% * 99.5102% (0.69  10.0 10.00   5.41 201.74) =  99.988%  kept
          HA    ILE   56 - HG    LEU  123  13.42 +/- 3.23   5.323% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.006%
          HA    PRO   58 - HG    LEU  123  12.88 +/- 3.06   3.823% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU  123  12.75 +/- 1.84   2.587% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  123  20.63 +/- 5.39   0.839% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  18.83 +/- 4.48   1.026% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  24.90 +/- 3.76   0.378% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  23.61 +/- 4.92   0.453% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  28.79 +/- 5.65   0.259% *  0.0339% (0.23   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 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 201.7:
    * O T HB2   LEU  123 - HG    LEU  123   2.47 +/- 0.30  89.042% * 96.6014% (0.69  10.0 10.00   5.44 201.74) =  99.958%  kept
        T HG3   PRO   93 - HG    LEU  123  18.29 +/- 4.60   2.264% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.025%
        T QD    LYS+  65 - HG    LEU  123  15.34 +/- 4.18   2.370% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 102 - HG    LEU  123  22.03 +/- 4.72   0.296% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HG    LEU  123  19.08 +/- 1.54   0.211% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HG    LEU  123   7.80 +/- 0.35   2.981% *  0.0298% (0.21   1.0  1.00   0.02   2.59) =   0.001%
          QD    LYS+  99 - HG    LEU  123  17.55 +/- 6.17   1.048% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  20.65 +/- 4.71   0.476% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.03 +/- 4.01   0.578% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  17.08 +/- 3.13   0.395% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  22.13 +/- 2.84   0.187% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  26.80 +/- 3.87   0.154% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 201.7:
    * O T HB3   LEU  123 - HG    LEU  123   2.65 +/- 0.13  96.845% * 97.8109% (0.69  10.0 10.00   5.12 201.74) =  99.993%  kept
        T HD3   LYS+ 111 - HG    LEU  123  19.60 +/- 1.54   0.260% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG    LEU  123  22.61 +/- 3.58   0.205% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG    LEU  123  12.92 +/- 3.07   1.856% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   ARG+  54 - HG    LEU  123  19.89 +/- 4.09   0.482% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  20.63 +/- 4.00   0.353% *  0.0554% (0.39   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 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 = 5.58, residual support = 201.7:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  96.784% * 99.6081% (0.69  10.0 10.00   5.58 201.74) =  99.997%  kept
          QG1   VAL   70 - HG    LEU  123  12.05 +/- 3.72   1.114% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU  123  16.43 +/- 4.09   0.498% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HG    LEU  123  17.21 +/- 6.27   0.420% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  16.10 +/- 4.26   0.389% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  13.20 +/- 3.29   0.795% *  0.0340% (0.23   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 = 4.57, residual support = 201.7:
    * O T QD2   LEU  123 - HG    LEU  123   2.10 +/- 0.02  98.509% * 99.9316% (0.69  10.0 10.00   4.57 201.74) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.58 +/- 0.48   1.070% *  0.0486% (0.33   1.0  1.00   0.02   2.59) =   0.001%
          HB3   LEU  104 - HG    LEU  123  17.21 +/- 6.27   0.421% *  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 = 6.0, residual support = 201.7:
    *   T HA    LEU  123 - QD1   LEU  123   2.65 +/- 0.70  85.899% * 99.5102% (1.00 10.00   6.00 201.74) =  99.990%  kept
          HA    ILE   56 - QD1   LEU  123  10.39 +/- 2.92   3.233% *  0.0975% (0.98  1.00   0.02   0.02) =   0.004%
          HA    PRO   58 - QD1   LEU  123   9.68 +/- 2.98   4.387% *  0.0373% (0.38  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD1   LEU  123  10.60 +/- 1.11   2.041% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  16.49 +/- 4.55   1.190% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD1   LEU  123  14.83 +/- 3.55   1.549% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU  123  19.89 +/- 2.74   0.569% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU  123  18.80 +/- 3.77   0.691% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  23.17 +/- 4.37   0.441% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.996, support = 5.97, residual support = 200.7:
    * O T HB2   LEU  123 - QD1   LEU  123   2.51 +/- 0.25  83.354% * 94.4764% (1.00  10.0 10.00   5.99 201.74) =  99.487%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.75 +/- 0.57   8.162% *  4.9149% (0.31   1.0  1.00   3.37   2.59) =   0.507%  kept
          HG3   PRO   93 - QD1   LEU  123  14.89 +/- 3.50   1.638% *  0.0943% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QD1   LEU  123  12.05 +/- 3.18   2.558% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  14.14 +/- 5.14   1.351% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU  123  16.84 +/- 3.60   0.619% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  123  13.85 +/- 2.87   0.756% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  15.87 +/- 0.96   0.360% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  17.90 +/- 4.02   0.334% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  16.78 +/- 2.89   0.382% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  17.64 +/- 2.15   0.296% *  0.0611% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.62 +/- 3.29   0.189% *  0.0388% (0.41   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 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 201.7:
    * O T HB3   LEU  123 - QD1   LEU  123   3.10 +/- 0.14  87.959% * 99.6484% (1.00  10.0 10.00   5.68 201.74) =  99.990%  kept
          QB    ALA   57 - QD1   LEU  123  10.01 +/- 2.89   8.085% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HD3   LYS+ 111 - QD1   LEU  123  16.30 +/- 1.29   0.664% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QD1   LEU  123  18.07 +/- 2.95   0.567% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  16.42 +/- 3.28   0.997% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QD1   LEU  123  15.96 +/- 3.58   1.727% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.57, residual support = 201.3:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  81.984% * 96.6254% (0.69  10.0 10.00   5.58 201.74) =  99.795%  kept
          HG3   PRO   68 - QD1   LEU  123  11.67 +/- 5.49   6.469% *  2.4222% (0.92   1.0  1.00   0.37   0.02) =   0.197%  kept
          HB3   ASP- 105 - QD1   LEU  123  11.80 +/- 4.53   1.111% *  0.1175% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD1   LEU  123   9.62 +/- 4.00   3.793% *  0.0217% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QD1   LEU  123   9.69 +/- 3.04   3.294% *  0.0246% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   LEU  123  20.84 +/- 4.30   0.856% *  0.0796% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD1   LEU  123  15.70 +/- 4.01   0.596% *  0.0966% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD1   LEU  123  15.65 +/- 3.30   0.408% *  0.1220% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  13.18 +/- 2.43   0.446% *  0.0740% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  17.10 +/- 3.58   0.218% *  0.1262% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  18.43 +/- 3.49   0.212% *  0.1021% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  20.72 +/- 3.02   0.147% *  0.0910% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.68 +/- 3.36   0.231% *  0.0578% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  16.09 +/- 2.81   0.234% *  0.0391% (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 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 = 4.96, residual support = 201.7:
    * O T QD2   LEU  123 - QD1   LEU  123   2.05 +/- 0.06  97.023% * 99.7540% (1.00  10.0 10.00   4.96 201.74) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  13.76 +/- 5.35   0.823% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD1   LEU  123   7.39 +/- 0.50   2.154% *  0.0486% (0.49   1.0  1.00   0.02   2.59) =   0.001%
    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 = 4.89, residual support = 201.7:
    *   T HA    LEU  123 - QD2   LEU  123   2.87 +/- 0.38  88.851% * 99.5102% (1.00 10.00   4.89 201.74) =  99.992%  kept
          HA    ILE   56 - QD2   LEU  123  11.66 +/- 2.97   3.333% *  0.0975% (0.98  1.00   0.02   0.02) =   0.004%
          HA    PRO   58 - QD2   LEU  123  11.13 +/- 2.69   3.280% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD2   LEU  123  11.64 +/- 1.40   1.686% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD2   LEU  123  18.32 +/- 4.66   0.775% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  16.59 +/- 3.85   0.915% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  21.46 +/- 3.17   0.359% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  19.97 +/- 4.43   0.525% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  24.21 +/- 5.06   0.276% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 201.7:
    * O T HB2   LEU  123 - QD2   LEU  123   3.03 +/- 0.17  76.268% * 99.0560% (1.00  10.0 10.00   5.00 201.74) =  99.965%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.03 +/- 0.13   4.194% *  0.3057% (0.31   1.0 10.00   0.02   2.59) =   0.017%
          HG3   PRO   93 - QD2   LEU  123  16.41 +/- 4.02   8.264% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.011%
          QD    LYS+  65 - QD2   LEU  123  13.09 +/- 3.72   5.056% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD2   LEU  123  18.34 +/- 4.09   1.586% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD2   LEU  123  15.59 +/- 5.35   1.464% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU  123  18.06 +/- 3.47   1.018% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  17.09 +/- 1.20   0.454% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  19.51 +/- 4.03   0.398% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.61 +/- 2.67   0.692% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  19.26 +/- 2.46   0.335% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.34 +/- 3.66   0.271% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 4.56, residual support = 201.7:
    * O T HB3   LEU  123 - QD2   LEU  123   2.16 +/- 0.25  96.805% * 99.6484% (1.00  10.0 10.00   4.56 201.74) =  99.998%  kept
          QB    ALA   57 - QD2   LEU  123  11.04 +/- 2.95   1.565% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QD2   LEU  123  19.32 +/- 3.31   0.441% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  17.48 +/- 1.43   0.207% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.91 +/- 3.59   0.276% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  16.97 +/- 3.96   0.706% *  0.0197% (0.20   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 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.57, residual support = 201.7:
    * O T HG    LEU  123 - QD2   LEU  123   2.10 +/- 0.02  89.156% * 98.6685% (0.69  10.0 10.00   4.57 201.74) =  99.986%  kept
          HG3   PRO   68 - QD2   LEU  123  12.63 +/- 6.30   3.223% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.005%
        T HB    ILE   56 - QD2   LEU  123  11.24 +/- 2.91   1.579% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP- 105 - QD2   LEU  123  13.86 +/- 4.40   0.580% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD2   LEU  123  16.92 +/- 4.41   0.682% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD2   LEU  123  16.71 +/- 3.65   0.455% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123  10.75 +/- 4.49   2.520% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD2   LEU  123  22.20 +/- 4.76   0.677% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD2   LEU  123  14.96 +/- 2.24   0.298% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  19.08 +/- 3.47   0.155% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  19.77 +/- 3.81   0.183% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  22.42 +/- 3.43   0.151% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.71 +/- 3.27   0.161% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  17.99 +/- 2.93   0.177% *  0.0399% (0.28   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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.96, residual support = 201.7:
    * O T QD1   LEU  123 - QD2   LEU  123   2.05 +/- 0.06  95.664% * 99.6081% (1.00  10.0 10.00   4.96 201.74) =  99.996%  kept
          QG1   VAL   70 - QD2   LEU  123  10.61 +/- 3.32   1.619% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU  123  13.81 +/- 3.84   0.761% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU  123  14.09 +/- 3.45   0.569% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU  123  15.67 +/- 5.29   0.452% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123  11.78 +/- 2.77   0.934% *  0.0340% (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 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 = 9.13:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.01  85.364% * 97.4620% (1.00  10.0 10.00   1.00   9.13) =  99.995%  kept
        T HB2   LEU   31 - HA    ALA   34   7.40 +/- 0.26   2.070% *  0.0730% (0.07   1.0 10.00   0.02  10.14) =   0.002%
        T QB    ALA   84 - HA    ALA  124  24.38 +/- 3.01   0.079% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - HA    ALA  124  26.00 +/- 4.29   0.062% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  19.19 +/- 5.06   0.265% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  16.81 +/- 2.67   0.220% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.20 +/- 3.87   0.155% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  19.94 +/- 3.15   0.127% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  22.22 +/- 5.93   0.126% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.47 +/- 0.79   4.500% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.53 +/- 2.92   0.111% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  11.02 +/- 5.22   2.943% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  12.66 +/- 4.17   0.863% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  20.96 +/- 8.47   0.277% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.60 +/- 6.10   0.308% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  20.96 +/- 4.71   0.129% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.71 +/- 1.46   0.065% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  30.28 +/- 4.31   0.040% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.57 +/- 1.49   0.101% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.93 +/- 3.43   0.242% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.34 +/- 1.32   0.208% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  25.06 +/- 7.58   0.108% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.75 +/- 2.65   0.795% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  24.06 +/- 3.13   0.070% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  22.52 +/- 5.84   0.126% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.71 +/- 1.73   0.077% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  16.71 +/- 4.99   0.294% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  18.17 +/- 3.13   0.163% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  29.49 +/- 3.28   0.040% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  26.69 +/- 3.79   0.072% *  0.0028% (0.03   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 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 = 9.13:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.01  98.483% * 98.8388% (1.00  10.0 10.00   1.00   9.13) =  99.998%  kept
        T HA    ALA   34 - QB    ALA  124  19.19 +/- 5.06   0.305% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASN   28 - QB    ALA  124  23.39 +/- 3.49   0.097% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QB    ALA  124  19.37 +/- 3.23   0.306% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.60 +/- 0.80   0.320% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  21.55 +/- 5.67   0.203% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  25.93 +/- 3.95   0.119% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  21.53 +/- 6.26   0.167% *  0.0196% (0.20   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 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 201.7:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.316% * 97.4949% (1.00  10.0 10.00   5.52 201.74) =  99.998%  kept
        T QD    LYS+  33 - HB2   LEU  123  22.46 +/- 3.93   0.075% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB2   LEU  123  19.89 +/- 1.69   0.073% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB2   LEU  123  21.01 +/- 3.80   0.086% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  13.61 +/- 2.41   0.342% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  20.81 +/- 3.40   0.108% *  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 = 5.52, residual support = 201.7:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.264% * 96.4170% (0.99  10.0 10.00   5.52 201.74) =  99.995%  kept
        T QD    LYS+  65 - HB3   LEU  123  16.30 +/- 4.11   0.340% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB3   LEU  123  21.03 +/- 4.36   0.133% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  22.47 +/- 5.23   0.072% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HB3   LEU  123  19.64 +/- 4.53   0.545% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  20.51 +/- 1.43   0.064% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.24 +/- 0.44   0.978% *  0.0365% (0.38   1.0  1.00   0.02   2.59) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.82 +/- 3.84   0.036% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  21.95 +/- 4.70   0.154% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  17.87 +/- 6.67   0.239% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  17.93 +/- 3.41   0.118% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.98 +/- 3.25   0.055% *  0.0551% (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 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 201.7:
    * O T QD1   LEU  123 - HB3   LEU  123   3.10 +/- 0.14  90.800% * 99.6081% (1.00  10.0 10.00   5.68 201.74) =  99.992%  kept
          QG1   VAL   70 - HB3   LEU  123  12.54 +/- 4.51   3.901% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HB3   LEU  123  16.66 +/- 4.90   1.758% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB3   LEU  123  17.76 +/- 6.77   1.129% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB3   LEU  123  16.87 +/- 4.59   0.868% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  14.29 +/- 3.77   1.545% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 201.7:
    * O T QD2   LEU  123 - HB3   LEU  123   2.16 +/- 0.25  97.636% * 99.9316% (1.00  10.0 10.00   4.56 201.74) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.74 +/- 0.64   1.928% *  0.0486% (0.49   1.0  1.00   0.02   2.59) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.76 +/- 6.77   0.435% *  0.0198% (0.20   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 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.1, residual support = 200.8:
    * O T HG    LEU  123 - HB3   LEU  123   2.65 +/- 0.13  88.786% * 89.1876% (0.69  10.0 10.00   5.12 201.74) =  99.548%  kept
        T HG3   PRO   68 - HB3   LEU  123  15.25 +/- 7.68   4.346% *  8.0712% (0.92   1.0 10.00   0.13   0.02) =   0.441%  kept
        T HG2   ARG+  54 - HB3   LEU  123  21.00 +/- 3.51   0.286% *  1.1263% (0.87   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+  33 - HB3   LEU  123  23.46 +/- 4.61   0.199% *  0.9428% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB3   LEU  123  15.67 +/- 5.58   0.958% *  0.1085% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB3   LEU  123  20.86 +/- 4.72   0.495% *  0.0892% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  13.34 +/- 5.53   2.199% *  0.0200% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB3   LEU  123  26.60 +/- 5.15   0.467% *  0.0735% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  17.21 +/- 2.86   0.411% *  0.0683% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  21.88 +/- 4.56   0.229% *  0.1164% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  14.20 +/- 2.75   0.963% *  0.0227% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  26.47 +/- 4.16   0.173% *  0.0840% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  21.54 +/- 4.29   0.229% *  0.0534% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  20.93 +/- 4.16   0.258% *  0.0361% (0.28   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 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 201.7:
    * O T HA    LEU  123 - HB3   LEU  123   2.55 +/- 0.17  96.395% * 99.5102% (1.00  10.0 10.00   5.51 201.74) =  99.998%  kept
          HA    ILE   56 - HB3   LEU  123  14.94 +/- 2.59   0.804% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  14.13 +/- 1.31   0.678% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.12 +/- 2.68   0.916% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  21.14 +/- 6.00   0.297% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  19.22 +/- 5.21   0.459% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  25.13 +/- 4.27   0.148% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  24.11 +/- 5.64   0.187% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  29.27 +/- 6.33   0.115% *  0.0339% (0.34   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 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 5.67, residual support = 313.2:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  88.149% * 76.1572% (1.00  10.0   5.63 313.21) =  97.227%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.92 +/- 0.20   8.141% * 23.5057% (0.31  10.0   7.01 313.21) =   2.772%  kept
          HG    LEU  104 - HD3   LYS+ 121  12.22 +/- 7.29   1.648% *  0.0235% (0.31   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HD3   LYS+ 121  14.57 +/- 3.43   0.285% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  19.17 +/- 4.62   0.215% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  13.32 +/- 5.80   0.868% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  16.98 +/- 1.95   0.110% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  19.55 +/- 3.64   0.088% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.68 +/- 4.43   0.335% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  16.71 +/- 2.97   0.159% *  0.0170% (0.22   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 = 313.2:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.72 +/- 0.27  88.386% * 99.7211% (1.00  10.0   6.28 313.21) =  99.991%  kept
          QG2   VAL  107 - HD3   LYS+ 121   9.55 +/- 2.63   4.584% *  0.0921% (0.92   1.0   0.02   0.02) =   0.005%
          QB    ALA   20 - HD3   LYS+ 121  18.45 +/- 4.35   2.185% *  0.0799% (0.80   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HD3   LYS+ 121  14.57 +/- 6.25   1.729% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   9.23 +/- 0.88   2.556% *  0.0308% (0.31   1.0   0.02   7.40) =   0.001%
          HB3   LEU   31 - HD3   LYS+ 121  19.19 +/- 5.22   0.559% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.2:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.46 +/- 0.29  95.156% * 98.9917% (1.00  10.0 10.00   5.98 313.21) =  99.988%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.98 +/- 1.58   1.163% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU   73 - HD3   LYS+ 121  14.14 +/- 4.31   0.926% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD3   LYS+ 121   9.41 +/- 0.79   2.495% *  0.0482% (0.49   1.0  1.00   0.02   2.59) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  19.38 +/- 4.48   0.261% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 7.12, residual support = 313.2:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.22 +/- 0.24  84.984% * 99.2313% (1.00  10.0  1.00   7.12 313.21) =  99.990%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.59 +/- 0.99   5.932% *  0.0306% (0.31   1.0  1.00   0.02   2.59) =   0.002%
        T HD3   LYS+ 111 - HD3   LYS+ 121  19.23 +/- 3.03   0.591% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HD3   LYS+ 121  15.93 +/- 2.05   0.909% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD3   LYS+ 121  16.42 +/- 6.49   1.674% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   LYS+ 121  16.80 +/- 3.69   0.858% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HD3   LYS+ 121  16.72 +/- 3.66   2.156% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  18.97 +/- 4.30   1.191% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  14.24 +/- 2.17   1.360% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  23.36 +/- 4.26   0.345% *  0.0973% (0.98   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 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 5.74, residual support = 307.2:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.49 +/- 0.11  88.468% * 83.8780% (1.00  10.0   5.77 313.21) =  97.674%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.26 +/- 1.36  11.035% * 16.0139% (0.84   1.0   4.57  55.33) =   2.326%  kept
          HG2   GLN   30 - HD3   LYS+ 121  21.19 +/- 4.23   0.198% *  0.0576% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  23.99 +/- 5.24   0.181% *  0.0376% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  24.63 +/- 3.82   0.118% *  0.0129% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.994, support = 6.6, residual support = 306.2:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.37 +/- 0.74  57.264% * 88.0891% (1.00 10.00   6.67 313.21) =  97.730%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.87 +/- 0.77  10.251% * 11.1820% (0.76  1.00   3.32   2.95) =   2.221%  kept
          QB    SER  117 - HD3   LYS+ 121   8.40 +/- 2.23  18.368% *  0.0736% (0.84  1.00   0.02   0.02) =   0.026%
        T HA    LYS+  65 - HD3   LYS+ 121  16.24 +/- 2.36   1.681% *  0.3005% (0.34 10.00   0.02   0.02) =   0.010%
          HB    THR   94 - HD3   LYS+ 121  16.05 +/- 3.33   4.170% *  0.0873% (0.99  1.00   0.02   0.02) =   0.007%
          HA    PHE   60 - HD3   LYS+ 121  12.25 +/- 2.12   4.954% *  0.0245% (0.28  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HD3   LYS+ 121  23.16 +/- 3.27   0.636% *  0.0873% (0.99  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD3   LYS+ 121  20.53 +/- 5.96   1.419% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 121  22.39 +/- 2.38   0.598% *  0.0833% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  22.72 +/- 3.26   0.658% *  0.0362% (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 = 7.66, residual support = 313.2:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.67 +/- 0.14  89.040% * 99.7211% (0.84  10.0 10.00   7.67 313.21) =  99.992%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.81 +/- 2.01   3.727% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - HB3   LYS+ 121  19.08 +/- 4.17   2.479% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HB3   LYS+ 121   8.03 +/- 0.36   3.457% *  0.0308% (0.26   1.0  1.00   0.02   7.40) =   0.001%
          HG13  ILE  103 - HB3   LYS+ 121  15.17 +/- 5.27   0.990% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   LYS+ 121  20.48 +/- 4.65   0.308% *  0.0277% (0.23   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 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.0, residual support = 313.2:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.41 +/- 0.26  94.964% * 99.5295% (0.84  10.0 10.00   7.00 313.21) =  99.995%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  15.19 +/- 3.77   0.845% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HB3   LYS+ 121   8.38 +/- 0.22   2.561% *  0.0484% (0.41   1.0  1.00   0.02   2.59) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  11.53 +/- 1.53   1.405% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  20.56 +/- 4.08   0.225% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.71, residual support = 313.2:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  97.133% * 97.1314% (0.84  10.0 10.00   8.71 313.21) =  99.995%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  16.35 +/- 1.83   0.142% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB3   LYS+ 121  18.20 +/- 3.71   0.127% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LYS+ 121  17.25 +/- 5.57   0.189% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+ 121   7.01 +/- 0.44   1.569% *  0.0300% (0.26   1.0  1.00   0.02   2.59) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  17.51 +/- 2.35   0.126% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.60 +/- 3.87   0.206% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  16.14 +/- 3.28   0.230% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  14.14 +/- 1.73   0.227% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.67 +/- 3.43   0.051% *  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 = 0.81, support = 6.71, residual support = 266.9:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.98 +/- 0.40  74.204% * 58.9727% (0.84  1.00   6.96 313.21) =  82.057%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.27 +/- 0.89  24.047% * 39.7603% (0.70  1.00   5.61  55.33) =  17.929%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.33 +/- 4.28   0.613% *  1.1648% (0.57 10.00   0.02   0.02) =   0.013%
          HB3   ASN   28 - HB3   LYS+ 121  25.10 +/- 4.98   0.666% *  0.0760% (0.37  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB3   LYS+ 121  24.75 +/- 3.40   0.470% *  0.0262% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.833, support = 8.15, residual support = 309.0:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.48 +/- 0.18  84.353% * 84.2158% (0.84  10.0 10.00   8.20 313.21) =  98.643%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.97 +/- 0.22   6.433% * 15.0873% (0.64   1.0  1.00   4.69   2.95) =   1.348%  kept
          QB    SER  117 - HB3   LYS+ 121   6.35 +/- 1.02   6.684% *  0.0703% (0.70   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HB3   LYS+ 121  17.01 +/- 1.70   0.326% *  0.2873% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   LYS+ 121  15.98 +/- 2.66   0.510% *  0.0835% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB3   LYS+ 121  12.57 +/- 1.81   0.857% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  21.76 +/- 5.79   0.431% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  22.41 +/- 2.37   0.137% *  0.0797% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  22.83 +/- 2.74   0.125% *  0.0835% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  22.65 +/- 3.10   0.144% *  0.0346% (0.34   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 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.779, support = 8.61, residual support = 313.2:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  63.312% * 55.3563% (0.84  10.0 10.00   8.71 313.21) =  69.905%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.20 +/- 0.35  35.183% * 42.8727% (0.65  10.0 10.00   8.38 313.21) =  30.087%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.94 +/- 3.50   0.311% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.11 +/- 4.07   0.283% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.30 +/- 1.54   0.087% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  13.11 +/- 6.22   0.473% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.84 +/- 3.96   0.146% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.95 +/- 2.10   0.139% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.66 +/- 3.38   0.065% *  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 = 0.773, support = 8.03, residual support = 307.5:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.48 +/- 0.18  41.248% * 52.0655% (0.84  10.0 10.00   8.20 313.21) =  77.264%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.96 +/- 0.46  13.484% * 40.3240% (0.65   1.0 10.00   7.78 313.21) =  19.562%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.91 +/- 0.72  32.218% *  2.2150% (0.04  10.0 10.00   5.27 156.54) =   2.567%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.00 +/- 0.93   4.316% *  3.7757% (0.06   1.0 10.00   5.70  30.36) =   0.586%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.22 +/- 4.18   0.455% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.010%
        T HD3   LYS+  74 - HA    LYS+  65   8.46 +/- 3.06   3.705% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+  74 - HA    LYS+ 121  21.40 +/- 3.81   0.202% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - HA    LYS+ 121  18.30 +/- 1.90   0.121% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    LYS+ 121  14.43 +/- 6.79   0.804% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    LYS+ 121  16.51 +/- 2.00   0.167% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.01 +/- 1.70   0.150% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 1.82   0.183% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.20 +/- 3.58   0.125% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.16 +/- 3.67   0.145% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.44 +/- 2.42   2.017% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  12.40 +/- 1.69   0.404% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.96 +/- 3.38   0.178% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.06 +/- 2.58   0.079% *  0.0028% (0.05   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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.972, support = 6.64, residual support = 308.8:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.37 +/- 0.74  19.883% * 97.6597% (1.00   1.0 10.00   6.67 313.21) =  97.176%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.93 +/- 0.56  46.169% *  1.2130% (0.01  10.0 10.00   5.37 156.54) =   2.803%  kept
          QB    ALA   61 - HA    LYS+ 121  13.04 +/- 2.64   1.685% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HA    LYS+ 121  18.08 +/- 1.90   0.250% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HA    LYS+ 121  15.54 +/- 4.68   0.558% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  110 - HA    LYS+ 121  14.13 +/- 1.85   0.750% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+ 121  21.23 +/- 3.48   0.358% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - HA    LYS+ 121  23.32 +/- 3.88   0.142% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+  65   8.44 +/- 2.28   4.395% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  16.24 +/- 2.36   0.383% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+ 121  21.54 +/- 4.39   0.331% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  13.97 +/- 4.24   0.851% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   6.23 +/- 1.31   8.254% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HA    LYS+  65  15.58 +/- 3.52   0.925% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  15.79 +/- 5.12   0.622% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    LYS+ 121  25.81 +/- 3.76   0.112% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+  65   6.27 +/- 0.81   5.959% *  0.0012% (0.01   1.0  1.00   0.02   0.33) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.94 +/- 3.97   0.109% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  10.64 +/- 2.29   1.450% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  26.74 +/- 4.43   0.102% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.88 +/- 3.18   0.229% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  14.80 +/- 2.31   0.623% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.04 +/- 1.55   2.307% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  17.27 +/- 3.55   0.462% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65   9.73 +/- 1.30   1.934% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.84 +/- 2.84   0.425% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  18.03 +/- 4.17   0.462% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  18.82 +/- 2.40   0.268% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 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 = 0.998, support = 6.31, residual support = 223.8:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  92.272% * 92.4778% (1.00  10.0 10.00   6.31 224.47) =  99.696%  kept
          QB    GLU- 114 - HB3   LEU  115   5.26 +/- 0.69   4.081% *  6.3117% (0.31   1.0  1.00   4.42  21.21) =   0.301%  kept
        T HB2   LEU   67 - HB3   LEU  115  15.88 +/- 2.66   0.176% *  0.7405% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HB3   LEU   40  10.10 +/- 1.85   0.630% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HB3   LEU  115  10.65 +/- 1.61   0.517% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  18.61 +/- 2.59   0.099% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.22 +/- 3.49   0.155% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.11 +/- 2.06   0.270% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  20.46 +/- 3.47   0.141% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.97 +/- 3.44   0.116% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.60 +/- 2.74   0.562% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.20 +/- 1.41   0.309% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  12.44 +/- 1.66   0.306% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.87 +/- 3.52   0.086% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.51 +/- 5.88   0.188% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  18.47 +/- 2.26   0.092% *  0.0033% (0.04   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 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 = 7.2, residual support = 237.9:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  95.397% * 98.3538% (1.00  10.0 10.00   7.20 237.95) =  99.996%  kept
        T HB    VAL   42 - HB3   LYS+ 112  17.51 +/- 2.69   0.166% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HB3   LYS+ 112   9.61 +/- 3.57   2.150% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HB3   LYS+ 112  15.73 +/- 2.71   0.513% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 112  15.22 +/- 3.80   0.817% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.68 +/- 2.80   0.138% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  21.09 +/- 4.15   0.126% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  13.98 +/- 2.88   0.304% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  25.84 +/- 3.08   0.045% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  28.88 +/- 3.68   0.034% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  20.50 +/- 3.00   0.089% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  18.94 +/- 2.27   0.104% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  18.46 +/- 1.43   0.088% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.21 +/- 4.27   0.028% *  0.0517% (0.53   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 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 = 0.911, support = 4.52, residual support = 237.6:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  78.725% * 54.1492% (0.95  10.0   4.32 237.95) =  84.724%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.23 +/- 0.55  18.390% * 41.3823% (0.72  10.0   5.65 237.95) =  15.125%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   7.76 +/- 1.78   1.729% *  4.3548% (0.36   1.0   4.29  28.73) =   0.150%  kept
          QG2   THR   94 - HD3   LYS+ 112  10.85 +/- 2.34   0.507% *  0.0434% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  15.43 +/- 4.36   0.590% *  0.0167% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  22.84 +/- 4.47   0.059% *  0.0537% (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 = 0.997, support = 6.82, residual support = 313.4:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  77.464% * 97.3629% (1.00  10.0   6.85 315.33) =  99.400%  kept
          QB    GLU- 114 - HB3   LYS+ 111   4.67 +/- 1.74  22.019% *  2.0671% (0.57   1.0   0.75   1.64) =   0.600%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.97 +/- 1.42   0.276% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.44 +/- 3.29   0.033% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  27.55 +/- 3.50   0.025% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  28.10 +/- 2.92   0.021% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  30.95 +/- 3.97   0.020% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.41 +/- 3.58   0.039% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  25.85 +/- 3.18   0.029% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.78 +/- 2.83   0.025% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  27.68 +/- 3.42   0.023% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  26.41 +/- 2.67   0.025% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 4.6, residual support = 60.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.29 +/- 0.30  92.467% * 99.5482% (1.00  10.0 10.00   4.60  60.19) =  99.995%  kept
          HD3   LYS+ 112 - HA    VAL  107  10.50 +/- 2.03   4.893% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   VAL   24 - HA    VAL  107  18.43 +/- 3.41   0.312% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    VAL  107  19.15 +/- 3.87   0.312% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  10.97 +/- 2.19   1.105% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  14.19 +/- 2.97   0.719% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.16 +/- 3.21   0.192% *  0.0174% (0.18   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 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.62 +/- 0.35  93.259% * 99.7501% (1.00  10.0 10.00   3.63  60.19) =  99.996%  kept
          HG2   LYS+ 121 - HA    VAL  107  12.25 +/- 3.81   2.254% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    VAL  107  10.55 +/- 0.85   1.603% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  10.97 +/- 2.19   2.239% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.53 +/- 2.51   0.388% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.16 +/- 3.21   0.258% *  0.0135% (0.14   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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.27, residual support = 40.7:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.89 +/- 0.17  64.860% * 83.9771% (1.00  10.0 10.00   3.22  41.70) =  94.736%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.41 +/- 0.31  19.613% * 15.3879% (0.87   1.0  1.00   4.22  23.52) =   5.249%  kept
          HB    ILE  103 - HA    ASP- 105   6.30 +/- 0.43   6.693% *  0.0832% (0.99   1.0  1.00   0.02   3.53) =   0.010%
          HG12  ILE  103 - HA    ASP- 105   7.19 +/- 0.67   4.755% *  0.0130% (0.15   1.0  1.00   0.02   3.53) =   0.001%
          HB3   GLN   90 - HA    ASP- 105  17.46 +/- 3.22   0.674% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ASP- 105  20.74 +/- 3.92   0.453% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  19.35 +/- 3.76   0.303% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.19 +/- 3.17   0.281% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  17.18 +/- 3.64   0.520% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  16.60 +/- 4.78   0.659% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.03 +/- 3.34   0.180% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  18.46 +/- 3.87   0.306% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.77 +/- 3.67   0.470% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  21.02 +/- 3.51   0.232% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 3.35, residual support = 41.7:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.137% * 99.5527% (0.95  10.0 10.00   3.35  41.70) =  99.999%  kept
          HB2   MET   96 - HB3   ASP- 105   8.73 +/- 0.84   0.866% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  13.36 +/- 1.70   0.267% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  11.07 +/- 4.13   0.918% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  19.50 +/- 2.40   0.088% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  13.11 +/- 3.32   0.345% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.21 +/- 4.04   0.153% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.76 +/- 2.01   0.093% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.64 +/- 3.29   0.132% *  0.0184% (0.18   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 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 = 5.0, residual support = 141.3:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  47.503% * 66.9933% (1.00  10.0  1.00   4.90 134.86) =  67.310%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  47.503% * 32.5339% (0.49  10.0  1.00   5.22 154.54) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  14.44 +/- 3.39   0.228% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  16.49 +/- 4.49   0.970% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65   8.31 +/- 3.08   2.936% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.07 +/- 3.05   0.055% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.29 +/- 1.56   0.220% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  17.56 +/- 4.17   0.086% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.17 +/- 3.22   0.037% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.98 +/- 2.98   0.033% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  19.42 +/- 2.87   0.047% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.54 +/- 4.63   0.028% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  19.07 +/- 4.92   0.080% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.79 +/- 2.67   0.050% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.84 +/- 2.11   0.078% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.16 +/- 4.85   0.043% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  24.71 +/- 3.83   0.025% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.32 +/- 2.75   0.042% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  29.92 +/- 3.14   0.012% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.93 +/- 2.81   0.023% *  0.0021% (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 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 = 0.8, support = 4.31, residual support = 138.0:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  95.261% * 81.2220% (0.80  10.0 10.00   4.30 138.84) =  99.278%  kept
          QB    LYS+ 102 - HG13  ILE  103   5.97 +/- 0.76   3.071% * 18.2638% (0.73   1.0  1.00   4.96  23.36) =   0.720%  kept
          HB    VAL   41 - HG13  ILE  103   9.66 +/- 2.67   0.922% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG13  ILE  103  17.89 +/- 2.55   0.148% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.67 +/- 1.63   0.126% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  15.81 +/- 3.73   0.204% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  16.92 +/- 2.34   0.134% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  20.85 +/- 3.68   0.072% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.30 +/- 3.17   0.062% *  0.0534% (0.53   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 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 = 5.65, residual support = 186.7:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  90.922% * 99.4757% (0.80  10.0   5.65 186.70) =  99.996%  kept
          HG    LEU   67 - HB3   LYS+  74  11.32 +/- 3.59   4.856% *  0.0310% (0.25   1.0   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HB3   LYS+  74   8.65 +/- 2.20   1.441% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74   8.41 +/- 1.75   1.085% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HB3   LYS+  74  16.54 +/- 3.38   0.343% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  14.96 +/- 1.95   0.176% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  17.11 +/- 4.00   0.605% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.15 +/- 2.79   0.124% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  18.66 +/- 3.91   0.185% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  13.49 +/- 1.80   0.263% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 216.6:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  97.982% * 99.3078% (1.00  10.0 10.00   5.15 216.60) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  19.30 +/- 3.08   0.138% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HG13  ILE   89  15.70 +/- 4.47   1.126% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.95 +/- 2.83   0.212% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.50 +/- 2.29   0.264% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  19.75 +/- 2.70   0.092% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  19.30 +/- 2.48   0.097% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  19.35 +/- 2.98   0.089% *  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 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 = 24.1:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  91.643% * 99.6237% (1.00  10.0 10.00   2.81  24.14) =  99.996%  kept
          HA1   GLY   51 - QB    ALA   57   9.15 +/- 1.66   1.559% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   57  15.17 +/- 5.46   1.219% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    ALA   57  12.27 +/- 4.83   3.213% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - QB    ALA   57  12.80 +/- 1.31   0.483% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  11.02 +/- 2.49   1.014% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.64 +/- 2.97   0.184% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.16 +/- 4.02   0.435% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.29 +/- 2.55   0.184% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  26.58 +/- 4.32   0.067% *  0.0154% (0.15   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 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  98.620% * 97.5263% (1.00  10.0 10.00   2.81  10.17) =  99.998%  kept
          HA    ALA   57 - HA2   GLY   51  10.46 +/- 1.17   0.526% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.94 +/- 3.47   0.086% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  29.13 +/- 4.43   0.037% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  25.90 +/- 2.94   0.041% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  20.16 +/- 3.06   0.087% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.34 +/- 3.59   0.138% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  14.41 +/- 2.74   0.259% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  16.01 +/- 1.83   0.186% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  35.90 +/- 7.31   0.019% *  0.0366% (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 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 = 64.9:
    * O T QG2   VAL   24 - QG1   VAL   24   2.02 +/- 0.07  98.835% * 99.5951% (1.00  10.0 10.00   2.70  64.94) =  99.998%  kept
        T QG1   VAL  107 - QG1   VAL   24  16.14 +/- 3.01   0.334% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   63 - QG1   VAL   24  16.97 +/- 3.45   0.687% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  22.04 +/- 3.98   0.143% *  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 = 6.55, residual support = 159.0:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  97.975% * 99.4743% (1.00  10.0 10.00   6.55 159.02) =  99.999%  kept
          HB3   ASN   28 - HG3   GLN   30   8.91 +/- 0.51   0.779% *  0.0918% (0.92   1.0  1.00   0.02  18.64) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  18.19 +/- 3.25   0.111% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  28.45 +/- 2.94   0.026% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  19.52 +/- 4.42   0.140% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  21.50 +/- 1.96   0.058% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  15.53 +/- 2.87   0.247% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  14.22 +/- 2.80   0.317% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  18.05 +/- 1.65   0.099% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  15.86 +/- 2.67   0.183% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  30.23 +/- 2.78   0.021% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  23.73 +/- 2.19   0.044% *  0.0072% (0.07   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 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 = 0.999, support = 4.7, residual support = 154.4:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.82 +/- 0.46  67.780% * 98.8374% (1.00  10.0   4.70 154.54) =  99.937%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.64 +/- 1.64  12.266% *  0.2762% (0.31   1.0   0.18   0.02) =   0.051%
          HB2   ASN   28 - HG2   LYS+  33   9.70 +/- 1.04   2.422% *  0.0969% (0.98   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HG2   LYS+  33  16.03 +/- 3.91   1.702% *  0.0886% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   8.35 +/- 0.71   3.288% *  0.0337% (0.34   1.0   0.02   5.76) =   0.002%
          HB2   ASP-  86 - QG    LYS+  81   9.24 +/- 0.63   2.306% *  0.0325% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.52 +/- 1.24   3.915% *  0.0105% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  15.04 +/- 4.24   0.926% *  0.0412% (0.42   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - QG    LYS+  81  15.54 +/- 4.18   0.712% *  0.0424% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  19.69 +/- 6.21   0.633% *  0.0464% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  21.66 +/- 5.54   0.295% *  0.0679% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.03 +/- 2.90   0.249% *  0.0599% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  18.84 +/- 2.69   0.268% *  0.0538% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.91 +/- 4.01   0.226% *  0.0588% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  14.77 +/- 3.53   0.864% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  22.99 +/- 3.38   0.179% *  0.0639% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.82 +/- 4.39   0.239% *  0.0473% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  20.93 +/- 2.68   0.216% *  0.0388% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.36 +/- 3.56   0.319% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.55 +/- 2.43   0.380% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.32 +/- 3.88   0.233% *  0.0204% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  19.83 +/- 3.47   0.337% *  0.0092% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  26.70 +/- 4.59   0.128% *  0.0161% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  25.05 +/- 1.95   0.120% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 5.63, residual support = 154.5:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.26 +/- 0.09  98.478% * 98.2551% (1.00  10.0 10.00   5.63 154.54) =  99.997%  kept
        T HG2   LYS+ 106 - QB    LYS+  33  19.32 +/- 2.80   0.187% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - QB    LYS+  33  21.52 +/- 4.13   0.167% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  33  15.97 +/- 2.01   0.351% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.48 +/- 3.55   0.488% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.91 +/- 4.31   0.260% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  27.51 +/- 3.46   0.069% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 4.81, residual support = 216.4:
    *     QE    LYS+  38 - HA    LYS+  38   3.90 +/- 1.20  39.742% * 93.5315% (1.00  1.00   4.83 219.92) =  98.116%  kept
          QE    LYS+  99 - HA    GLU- 100   6.15 +/- 0.86  13.953% *  4.3839% (0.05  1.00   4.18  39.15) =   1.615%  kept
          QE    LYS+  99 - HA    LYS+  38   9.08 +/- 4.74  13.658% *  0.3471% (0.90  1.00   0.02   0.02) =   0.125%  kept
          QE    LYS+ 102 - HA    GLU- 100   8.37 +/- 1.19   8.604% *  0.3620% (0.06  1.00   0.34   0.02) =   0.082%
          QE    LYS+ 102 - HA    LYS+  38  14.47 +/- 5.33   2.766% *  0.3572% (0.92  1.00   0.02   0.02) =   0.026%
        T HB3   TRP   27 - HA    LYS+  38  15.14 +/- 1.73   0.969% *  0.8616% (0.22 10.00   0.02   0.02) =   0.022%
          QE    LYS+  38 - HA    GLU- 100   9.54 +/- 5.93  15.900% *  0.0234% (0.06  1.00   0.02   0.02) =   0.010%
          HB2   PHE   97 - HA    LYS+  38  15.13 +/- 3.21   1.259% *  0.0766% (0.20  1.00   0.02   0.02) =   0.003%
        T HB3   TRP   27 - HA    GLU- 100  16.08 +/- 4.12   0.956% *  0.0521% (0.01 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    GLU- 100  11.41 +/- 0.70   2.193% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.02 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 = 0.9, support = 4.73, residual support = 155.4:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.63 +/- 0.45  41.002% * 54.8141% (1.00  10.0 10.00   4.23 156.54) =  55.815%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.68 +/- 0.59  41.775% * 42.4513% (0.77  10.0 10.00   5.37 154.54) =  44.041%  kept
        T QE    LYS+  33 - HG3   LYS+  65  15.72 +/- 4.39  10.445% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.128%  kept
        T QE    LYS+  65 - HG3   LYS+  33  16.64 +/- 3.61   0.563% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  33 - HG3   LYS+ 102  18.34 +/- 4.63   0.215% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+ 102  23.62 +/- 2.99   0.161% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG3   LYS+  33   7.53 +/- 0.47   1.778% *  0.0287% (0.52   1.0  1.00   0.02   5.76) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  18.29 +/- 2.29   0.188% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.78 +/- 1.28   0.857% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.54 +/- 2.97   0.112% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG3   LYS+  65  14.96 +/- 3.91   0.662% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  17.07 +/- 7.32   0.468% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  19.45 +/- 2.99   0.199% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  19.85 +/- 4.00   0.192% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  19.06 +/- 6.40   0.207% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.98 +/- 5.52   0.173% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  15.05 +/- 4.14   0.321% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.96 +/- 5.75   0.098% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  21.79 +/- 3.42   0.106% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.57 +/- 3.79   0.116% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.42 +/- 4.69   0.084% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.80 +/- 4.01   0.100% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.58 +/- 3.19   0.063% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.62 +/- 2.65   0.114% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 4.5, residual support = 92.5:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.32 +/- 0.07  93.181% * 99.1144% (1.00  10.0 10.00   4.50  92.49) =  99.997%  kept
          QG    GLU-  14 - HG3   GLU-  29  14.22 +/- 4.05   2.466% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG3   GLU-  29  13.28 +/- 3.51   2.614% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   90 - HG3   GLU-  29  23.76 +/- 4.06   0.112% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG3   GLU-  29  14.75 +/- 2.07   0.473% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.80 +/- 4.19   0.374% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  23.77 +/- 3.88   0.181% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  18.01 +/- 3.05   0.255% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  25.61 +/- 3.43   0.103% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  28.31 +/- 2.95   0.056% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.84 +/- 1.58   0.186% *  0.0276% (0.28   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 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 92.5:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.587% * 99.6674% (1.00  10.0 10.00   4.20  92.49) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  21.01 +/- 6.55   0.112% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  23.44 +/- 3.07   0.069% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  21.90 +/- 2.41   0.057% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  26.61 +/- 3.99   0.036% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.69 +/- 3.93   0.099% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.98 +/- 2.56   0.040% *  0.0249% (0.25   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 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.6:
    * O T QG    GLN   17 - HB3   GLN   17   2.39 +/- 0.11  93.367% * 98.5118% (0.76  10.0 10.00   4.31  84.59) =  99.960%  kept
        T HB    VAL   70 - HB3   GLN   17   9.90 +/- 2.27   3.156% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.037%
          HG2   GLU- 100 - HB3   GLN   17  19.17 +/- 5.43   2.129% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HB3   GLN   17  18.37 +/- 3.29   0.344% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  17.87 +/- 3.01   0.414% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  16.57 +/- 3.36   0.386% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.13 +/- 3.37   0.204% *  0.0440% (0.34   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 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 = 0.999, support = 3.99, residual support = 84.4:
    * O T HA    GLN   17 - HB3   GLN   17   2.73 +/- 0.22  78.024% * 98.6732% (1.00  10.0 10.00   4.00  84.59) =  99.817%  kept
          HA    GLU-  15 - HB3   GLN   17   5.17 +/- 0.54  14.793% *  0.9257% (0.57   1.0  1.00   0.33   0.02) =   0.178%  kept
          HA    SER   13 - HB3   GLN   17   9.97 +/- 1.79   3.128% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB3   GLN   17  14.71 +/- 2.60   0.728% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   GLN   17  13.36 +/- 2.69   1.706% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  14.66 +/- 2.58   0.702% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   GLN   17  19.60 +/- 4.16   0.365% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  17.41 +/- 3.69   0.554% *  0.0519% (0.53   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 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 84.4:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  89.401% * 88.7914% (1.00  10.0 10.00   4.12  84.59) =  99.724%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.30 +/- 0.50   2.065% *  9.7588% (1.00   1.0 10.00   0.22   0.02) =   0.253%  kept
        T HB3   PRO   68 - HB3   GLN   17  10.51 +/- 4.12   1.915% *  0.7110% (0.80   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   GLN   30 - HB3   GLN   17  11.05 +/- 2.47   0.684% *  0.3650% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HB3   GLN   17   7.67 +/- 1.43   1.982% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB3   GLN   17  11.74 +/- 3.96   1.334% *  0.0432% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HB3   GLN   17  20.14 +/- 5.65   1.914% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  18.79 +/- 2.94   0.126% *  0.0840% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  11.96 +/- 2.01   0.435% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  23.63 +/- 3.07   0.051% *  0.0574% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  28.47 +/- 3.51   0.026% *  0.0880% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  20.86 +/- 3.90   0.069% *  0.0156% (0.18   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 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 = 0.846, support = 3.31, residual support = 46.1:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.92 +/- 0.14  50.617% * 72.0932% (1.00  10.0 10.00   3.09  45.73) =  75.547%  kept
      O T HG3   MET   11 - HA    MET   11   3.15 +/- 0.62  44.087% * 26.7625% (0.37  10.0 10.00   4.00  47.37) =  24.427%  kept
        T HG3   MET   11 - HA    GLU-  14  10.86 +/- 1.32   1.137% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HB3   GLU-  14 - HA    MET   11   9.95 +/- 1.35   1.486% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   40 - HA    GLU-  14  14.80 +/- 3.93   1.911% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   96 - HA    GLU-  14  23.39 +/- 3.40   0.129% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  20.88 +/- 3.81   0.268% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  24.05 +/- 3.11   0.110% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.83 +/- 4.26   0.072% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.27 +/- 3.50   0.069% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.05 +/- 4.41   0.060% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.68 +/- 5.64   0.054% *  0.0044% (0.06   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 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 = 61.5:
    * O T HB2   MET   92 - HA    MET   92   2.68 +/- 0.28  85.855% * 99.5277% (1.00  10.0 10.00   3.87  61.49) =  99.995%  kept
          QB    LYS+  81 - HA    MET   92  11.84 +/- 3.64   7.427% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HA    MET   92  13.49 +/- 3.75   1.629% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   8.50 +/- 0.65   2.946% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HA    MET   92  17.78 +/- 3.29   0.410% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.56 +/- 1.04   1.032% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.85 +/- 2.74   0.209% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.10 +/- 3.24   0.109% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.60 +/- 4.06   0.168% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.10 +/- 2.46   0.145% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  35.55 +/- 5.78   0.069% *  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 = 0.992, support = 4.24, residual support = 59.6:
    * O T HB3   MET   92 - HA    MET   92   2.88 +/- 0.18  79.282% * 83.8392% (1.00  10.0 10.00   4.22  61.49) =  96.757%  kept
          HG3   PRO   93 - HA    MET   92   5.36 +/- 0.67  14.309% * 15.5427% (0.76   1.0  1.00   4.85   1.87) =   3.237%  kept
          HD2   LYS+ 111 - HA    MET   92  13.75 +/- 3.27   1.298% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    MET   92  13.44 +/- 1.88   0.968% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  17.91 +/- 3.52   0.700% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  11.20 +/- 3.22   2.286% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    MET   92  21.96 +/- 4.24   0.496% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  25.59 +/- 3.32   0.158% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  21.97 +/- 2.20   0.232% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.72 +/- 2.79   0.272% *  0.0475% (0.57   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 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 = 61.5:
    * O T HG2   MET   92 - HA    MET   92   2.83 +/- 0.46  63.677% * 99.5593% (1.00  10.0 10.00   2.49  61.49) =  99.959%  kept
          HG2   PRO   52 - HA    MET   92   8.66 +/- 5.41  26.975% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.027%
          HB2   GLU-  79 - HA    MET   92  13.33 +/- 4.11   7.687% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.012%
          QG    GLU- 114 - HA    MET   92  11.84 +/- 2.86   1.412% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HA    MET   92  30.72 +/- 2.63   0.058% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  26.74 +/- 3.00   0.095% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  30.90 +/- 5.44   0.095% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 3.96, residual support = 61.4:
    * O T HG3   MET   92 - HA    MET   92   3.14 +/- 0.68  82.638% * 95.4795% (1.00  10.0 10.00   3.97  61.49) =  99.873%  kept
        T HB2   ASP-  44 - HA    MET   92  11.56 +/- 1.24   2.290% *  4.0910% (0.20   1.0 10.00   0.43   0.02) =   0.119%  kept
          QG    GLN   90 - HA    MET   92   7.74 +/- 0.65   8.202% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HA    MET   92  13.38 +/- 4.13   3.521% *  0.0541% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    MET   92  15.23 +/- 2.30   1.124% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  16.79 +/- 1.14   0.687% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    MET   92  17.59 +/- 2.50   0.690% *  0.0265% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  25.97 +/- 2.74   0.194% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  26.52 +/- 2.93   0.192% *  0.0465% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  26.04 +/- 4.05   0.239% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  25.45 +/- 3.18   0.224% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.922, support = 1.9, residual support = 5.89:
          HB    VAL  108 - QB    LYS+ 106   4.28 +/- 0.19  74.183% * 80.0508% (0.92  1.00   1.91   5.94) =  99.143%  kept
          HB    ILE  119 - QB    LYS+ 106  12.75 +/- 2.52   3.820% *  6.9236% (1.00  1.00   0.15   0.02) =   0.442%  kept
        T HB2   GLN   30 - QB    LYS+ 106  16.58 +/- 2.87   1.719% *  9.0759% (1.00 10.00   0.02   0.02) =   0.260%  kept
          HB2   PRO   93 - QB    LYS+ 106  10.41 +/- 1.15   6.138% *  0.5138% (0.57  1.00   0.02   0.02) =   0.053%
          HB3   GLU- 100 - QB    LYS+ 106  14.53 +/- 0.88   2.021% *  0.8996% (0.99  1.00   0.02   0.02) =   0.030%
          HB2   LYS+ 111 - QB    LYS+ 106  11.87 +/- 2.43   6.440% *  0.2021% (0.22  1.00   0.02   0.02) =   0.022%
          HG3   GLN   30 - QB    LYS+ 106  17.26 +/- 2.64   1.549% *  0.7873% (0.87  1.00   0.02   0.02) =   0.020%
          HB2   ARG+  54 - QB    LYS+ 106  18.43 +/- 2.38   1.413% *  0.7873% (0.87  1.00   0.02   0.02) =   0.019%
          HB3   PRO   68 - QB    LYS+ 106  18.90 +/- 2.24   0.978% *  0.4418% (0.49  1.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - QB    LYS+ 106  20.45 +/- 2.79   0.917% *  0.1589% (0.18  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QB    LYS+ 106  19.92 +/- 2.06   0.824% *  0.1589% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.84 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.5:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.03  97.712% * 99.8873% (0.76  10.0   4.64  26.51) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75   9.41 +/- 2.31   2.036% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  16.67 +/- 1.74   0.252% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 5.22, residual support = 82.7:
      O   HN    VAL   75 - HA    VAL   75   2.89 +/- 0.04  93.892% * 93.1930% (0.90  10.0   5.23  83.12) =  99.527%  kept
          HN    ASP-  78 - HA    VAL   75   7.22 +/- 0.23   6.108% *  6.8070% (0.95   1.0   1.38   0.31) =   0.473%  kept
    Distance limit 3.75 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 = 0.458, support = 0.735, residual support = 17.6:
          HA    PHE   45 - HB    VAL   75   4.87 +/- 3.38  73.416% * 89.9031% (0.45   0.75  17.91) =  98.002%  kept
          HA    VAL   41 - HB    VAL   75  10.11 +/- 1.43  14.853% *  5.1606% (0.97   0.02   0.02) =   1.138%  kept
          HA    HIS  122 - HB    VAL   75  17.17 +/- 2.52  11.731% *  4.9363% (0.92   0.02   0.02) =   0.860%  kept
    Distance limit 3.71 A violated in 4 structures by 1.07 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 17.9:
          QD    PHE   45 - HB    VAL   75   4.68 +/- 2.28  78.569% * 98.5818% (0.87   2.14  17.91) =  99.802%  kept
          HD2   HIS  122 - HB    VAL   75  14.22 +/- 2.47  14.125% *  0.7304% (0.69   0.02   0.02) =   0.133%  kept
          HE22  GLN  116 - HB    VAL   75  17.60 +/- 2.76   7.306% *  0.6878% (0.65   0.02   0.02) =   0.065%
    Distance limit 3.78 A violated in 3 structures by 0.80 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 1.99:
        T HZ    PHE   72 - HB    VAL   75   6.22 +/- 0.64  73.040% * 97.5882% (0.80 10.00   0.02   2.00) =  99.096%  kept
          HZ2   TRP   27 - HB    VAL   75  10.80 +/- 3.22  26.960% *  2.4118% (0.20  1.00   0.02   1.14) =   0.904%  kept
    Distance limit 4.14 A violated in 16 structures by 1.93 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 83.0:
      O   HN    VAL   75 - HB    VAL   75   2.45 +/- 0.51  96.485% * 97.2923% (0.99  10.0   4.45  83.12) =  99.899%  kept
          HN    ASP-  78 - HB    VAL   75   8.31 +/- 0.39   3.515% *  2.7077% (0.65   1.0   0.85   0.31) =   0.101%  kept
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.356, support = 2.45, residual support = 17.1:
        T QE    PHE   45 - QG1   VAL   75   3.41 +/- 1.49  64.180% * 84.6730% (0.34 10.00   2.52  17.91) =  95.019%  kept
          QD    PHE   72 - QG1   VAL   75   5.68 +/- 0.62  22.405% *  8.8184% (0.53  1.00   1.35   2.00) =   3.455%  kept
          HZ    PHE   72 - QG1   VAL   75   6.85 +/- 0.67  13.415% *  6.5086% (0.90  1.00   0.58   2.00) =   1.527%  kept
    Distance limit 3.32 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 3.13, residual support = 17.9:
          QD    PHE   45 - QG1   VAL   75   2.75 +/- 1.90  78.238% * 99.5852% (1.00   3.13  17.91) =  99.941%  kept
          HD2   HIS  122 - QG1   VAL   75  12.63 +/- 2.01  14.014% *  0.2177% (0.34   0.02   0.02) =   0.039%
          HE22  GLN  116 - QG1   VAL   75  14.87 +/- 2.77   7.747% *  0.1970% (0.31   0.02   0.02) =   0.020%
    Distance limit 3.40 A violated in 1 structures by 0.45 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.903, support = 4.89, residual support = 73.4:
          HN    VAL   75 - QG1   VAL   75   3.49 +/- 0.19  77.966% * 68.1016% (0.90   5.23  83.12) =  88.310%  kept
          HN    ASP-  78 - QG1   VAL   75   5.43 +/- 0.38  22.034% * 31.8984% (0.95   2.32   0.31) =  11.690%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.5:
          HN    ASP-  76 - QG1   VAL   75   2.95 +/- 0.30  95.021% * 99.1031% (0.41   4.97  26.51) =  99.980%  kept
          HN    VAL  108 - QG1   VAL   75  11.92 +/- 1.40   1.792% *  0.7048% (0.73   0.02   0.02) =   0.013%
          HN    HIS   22 - QG1   VAL   75  10.17 +/- 1.60   3.187% *  0.1921% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.45 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 = 0.693, support = 0.02, residual support = 1.24:
          HB2   CYS   21 - QG2   VAL   75   7.20 +/- 2.55  63.119% * 67.1992% (0.76   0.02   1.41) =  87.847%  kept
          QE    LYS+  81 - QG2   VAL   75  10.85 +/- 1.78  27.478% * 15.3994% (0.18   0.02   0.02) =   8.764%  kept
          QE    LYS+ 111 - QG2   VAL   75  15.56 +/- 2.21   9.403% * 17.4014% (0.20   0.02   0.02) =   3.389%  kept
    Distance limit 3.70 A violated in 15 structures by 3.10 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.658, support = 0.75, residual support = 12.3:
          HZ    PHE   45 - QG2   VAL   75   4.92 +/- 1.96  53.760% * 63.0260% (0.76   0.75  17.91) =  66.464%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.21 +/- 3.52  46.240% * 36.9740% (0.45   0.75   1.14) =  33.536%  kept
    Distance limit 3.40 A violated in 4 structures by 0.72 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.954, support = 1.86, residual support = 13.7:
          QE    PHE   45 - QG2   VAL   75   3.80 +/- 1.87  48.582% * 64.8550% (0.97   2.21  17.91) =  73.668%  kept
          QD    PHE   72 - QG2   VAL   75   3.95 +/- 0.96  39.413% * 25.6976% (1.00   0.85   2.00) =  23.680%  kept
          HZ    PHE   72 - QG2   VAL   75   6.17 +/- 0.66  12.005% *  9.4474% (0.25   1.25   2.00) =   2.652%  kept
    Distance limit 3.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.791, support = 0.566, residual support = 1.04:
          HE3   TRP   27 - QG2   VAL   75   6.62 +/- 2.90  29.765% * 80.4153% (0.80   0.61   1.14) =  90.947%  kept
          QE    PHE   95 - QG2   VAL   75   7.26 +/- 1.90  23.562% *  3.2060% (0.98   0.02   0.02) =   2.870%  kept
          HD2   HIS   22 - QG2   VAL   75   9.82 +/- 2.38   9.493% *  7.2595% (0.20   0.22   0.02) =   2.618%  kept
          HN    THR   23 - QG2   VAL   75   8.59 +/- 2.40  12.649% *  3.1566% (0.97   0.02   0.02) =   1.517%  kept
          QD    PHE   55 - QG2   VAL   75  13.52 +/- 2.48   9.026% *  2.8372% (0.87   0.02   0.02) =   0.973%  kept
          HN    LEU   67 - QG2   VAL   75   9.32 +/- 1.32  11.409% *  2.1159% (0.65   0.02   0.02) =   0.917%  kept
          HD1   TRP   49 - QG2   VAL   75  12.58 +/- 1.77   4.096% *  1.0095% (0.31   0.02   0.02) =   0.157%  kept
    Distance limit 3.59 A violated in 6 structures by 1.11 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 4.91, residual support = 81.3:
          HN    VAL   75 - QG2   VAL   75   2.88 +/- 0.56  91.539% * 79.9974% (0.90   5.00  83.12) =  97.741%  kept
          HN    ASP-  78 - QG2   VAL   75   7.18 +/- 0.64   8.461% * 20.0026% (0.95   1.18   0.31) =   2.259%  kept
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.611, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   5.53 +/- 1.86  88.376% * 48.3894% (0.61   0.02   0.02) =  87.698%  kept
          HN    VAL  108 - QG2   VAL   75  12.75 +/- 1.81  11.624% * 51.6106% (0.65   0.02   0.02) =  12.302%  kept
    Distance limit 4.04 A violated in 6 structures by 1.47 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.71, residual support = 35.8:
      O   HN    ASP-  76 - HB3   ASP-  76   2.73 +/- 0.47  99.495% * 99.4520% (0.15  10.0   3.71  35.77) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  18.88 +/- 2.21   0.505% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.68, residual support = 35.8:
      O   HN    ASP-  76 - HB2   ASP-  76   3.11 +/- 0.38  88.974% * 99.6604% (0.41  10.0   3.68  35.77) =  99.995%  kept
          HN    HIS   22 - HB2   ASP-  76  10.56 +/- 3.44   4.326% *  0.0480% (0.20   1.0   0.02   0.02) =   0.002%
          HN    VAL  108 - HB2   ASP-  76  18.94 +/- 2.25   0.632% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASP-  76 - QE    LYS+  66  15.44 +/- 2.37   1.283% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  19.56 +/- 3.11   0.623% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.01 +/- 2.34   2.337% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.49 +/- 3.28   0.795% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  18.29 +/- 2.84   0.765% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.76 +/- 3.00   0.264% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.379, support = 0.571, residual support = 0.539:
          HN    LEU   80 - HA    THR   77   4.93 +/- 1.29  76.529% * 87.6649% (0.38   0.58   0.55) =  98.361%  kept
          HN    CYS   53 - HA    THR   77  13.18 +/- 3.10  17.585% *  4.8852% (0.61   0.02   0.02) =   1.259%  kept
          HN    THR   26 - HA    THR   77  16.78 +/- 3.43   4.274% *  5.2104% (0.65   0.02   0.02) =   0.327%  kept
          HN    ALA   34 - HA    THR   77  20.92 +/- 2.48   1.612% *  2.2394% (0.28   0.02   0.02) =   0.053%
    Distance limit 3.65 A violated in 6 structures by 1.19 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.65, support = 4.7, residual support = 28.1:
      O   HN    ASP-  78 - HA    THR   77   3.55 +/- 0.05  90.855% * 91.7317% (0.65  10.0   4.73  28.36) =  99.101%  kept
          HN    VAL   75 - HA    THR   77   7.80 +/- 0.51   9.145% *  8.2683% (0.99   1.0   1.18   0.72) =   0.899%  kept
    Distance limit 3.91 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 = 37.5:
      O   HN    THR   77 - HA    THR   77   2.81 +/- 0.06 100.000% *100.0000% (0.53  10.0   4.02  37.48) = 100.000%  kept
    Distance limit 3.57 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 = 3.17, residual support = 10.2:
        T QD    PHE   45 - QG2   THR   77   3.40 +/- 2.39 100.000% *100.0000% (0.80 10.00   3.17  10.19) = 100.000%  kept
    Distance limit 3.23 A violated in 1 structures by 0.61 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.59, residual support = 11.1:
          HN    THR   46 - QG2   THR   77   3.82 +/- 3.67  62.178% * 98.1665% (0.87   3.60  11.15) =  99.695%  kept
          HN    LYS+  74 - QG2   THR   77   9.22 +/- 0.93  15.488% *  0.6156% (0.98   0.02   0.02) =   0.156%  kept
          HN    MET   92 - QG2   THR   77   7.61 +/- 3.45  16.075% *  0.4314% (0.69   0.02   0.02) =   0.113%  kept
          HN    LYS+ 112 - QG2   THR   77  13.09 +/- 2.02   5.262% *  0.3304% (0.53   0.02   0.02) =   0.028%
          HN    MET   11 - QG2   THR   77  25.21 +/- 4.81   0.997% *  0.4561% (0.73   0.02   0.02) =   0.007%
    Distance limit 3.46 A violated in 2 structures by 0.61 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.5:
          HN    THR   77 - QG2   THR   77   2.23 +/- 0.48 100.000% *100.0000% (0.87   4.02  37.48) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.614, support = 1.64, residual support = 6.52:
          HA    ALA   20 - HB2   LYS+  74   4.61 +/- 2.80  80.631% * 77.3526% (0.61   1.73   6.97) =  93.429%  kept
          HA    LEU   71 - HB2   LYS+  74   9.93 +/- 1.19  19.369% * 22.6474% (0.64   0.48   0.13) =   6.571%  kept
    Distance limit 3.80 A violated in 2 structures by 0.44 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.766, support = 2.4, residual support = 6.56:
          HA    ALA   20 - HB3   LYS+  74   4.27 +/- 2.77  80.278% * 79.3486% (0.76   2.51   6.97) =  93.990%  kept
          HA    LEU   71 - HB3   LYS+  74   9.83 +/- 1.36  19.722% * 20.6514% (0.80   0.62   0.13) =   6.010%  kept
    Distance limit 3.72 A violated in 1 structures by 0.49 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.7:
      O   HA    LYS+  74 - HB3   LYS+  74   2.83 +/- 0.22  98.529% * 99.8966% (0.80  10.0   6.20 186.70) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  14.85 +/- 2.45   0.868% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  16.61 +/- 3.30   0.603% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 132.3:
      O T HA    PRO   93 - HB2   PRO   93   2.60 +/- 0.20  99.735% * 99.9221% (0.49  10.0 10.00   5.98 132.33) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.51 +/- 2.20   0.265% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.423, support = 1.7, residual support = 1.75:
          HB3   MET   92 - HB3   PRO   93   4.74 +/- 0.74  42.776% * 75.0723% (0.41  1.00   1.81   1.87) =  93.715%  kept
        T HB2   LEU   73 - HB3   PRO   93  16.20 +/- 3.39  10.675% * 11.3944% (0.57 10.00   0.02   0.02) =   3.550%  kept
          QG1   ILE   56 - HB3   PRO   93   7.35 +/- 3.34  28.530% *  1.8050% (0.90  1.00   0.02   0.02) =   1.503%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  12.30 +/- 3.25   4.628% *  6.2118% (0.31 10.00   0.02   0.02) =   0.839%  kept
          HB    ILE   89 - HB3   PRO   93   9.30 +/- 2.06   9.206% *  0.7553% (0.38  1.00   0.02   0.02) =   0.203%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.98 +/- 1.42   3.080% *  1.5381% (0.76  1.00   0.02   0.02) =   0.138%  kept
          QD    LYS+  99 - HB3   PRO   93  19.47 +/- 1.58   0.594% *  1.6116% (0.80  1.00   0.02   0.02) =   0.028%
          HB3   LYS+  99 - HB3   PRO   93  20.11 +/- 1.24   0.511% *  1.6116% (0.80  1.00   0.02   0.02) =   0.024%
    Distance limit 3.44 A violated in 0 structures by 0.72 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.3:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  94.818% * 99.4465% (0.80  10.0   6.01 132.33) =  99.996%  kept
          HG3   PRO   52 - HB3   PRO   93   9.11 +/- 3.33   2.928% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   PRO   58 - HB3   PRO   93  12.43 +/- 3.07   0.427% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93  10.78 +/- 2.65   0.683% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  11.50 +/- 2.78   0.542% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.32 +/- 2.86   0.438% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  26.57 +/- 3.72   0.038% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  20.11 +/- 1.91   0.071% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  33.03 +/- 4.52   0.018% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.58 +/- 1.68   0.037% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.43 +/- 0.20 100.000% *100.0000% (0.92  10.0   5.12 132.33) = 100.000%  kept
    Distance limit 3.60 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 = 1.2, residual support = 2.39:
          QD    PHE   45 - HB3   PRO   93   6.17 +/- 1.65 100.000% *100.0000% (0.76   1.20   2.39) = 100.000%  kept
    Distance limit 4.13 A violated in 13 structures by 2.15 A, kept.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.936, support = 1.97, residual support = 12.6:
          QD1   ILE   19 - HG2   GLN   30   4.69 +/- 1.48  49.239% * 67.7810% (0.95   2.13  14.05) =  89.751%  kept
          QD2   LEU  104 - HG2   GLN   30  14.46 +/- 3.63  12.350% * 16.9621% (0.84   0.60   0.02) =   5.634%  kept
          QG2   VAL   18 - HG2   GLN   30   8.88 +/- 1.62  11.634% * 13.8202% (0.90   0.46   0.02) =   4.324%  kept
          QG1   VAL   41 - HG2   GLN   30   8.22 +/- 2.66  16.674% *  0.3270% (0.49   0.02   0.02) =   0.147%  kept
          QG1   VAL   43 - HG2   GLN   30  10.78 +/- 3.17   6.247% *  0.4615% (0.69   0.02   0.02) =   0.078%
          QG2   THR   46 - HG2   GLN   30  14.99 +/- 2.82   3.856% *  0.6483% (0.97   0.02   0.02) =   0.067%
    Distance limit 3.84 A violated in 5 structures by 0.67 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.605, support = 0.749, residual support = 4.86:
        T QG2   THR   26 - HG2   GLN   30   3.05 +/- 0.77  86.605% * 87.3618% (0.61 10.00   0.75   4.87) =  99.816%  kept
        T QD    LYS+  66 - HG2   GLN   30  16.76 +/- 2.42   1.214% *  3.8324% (1.00 10.00   0.02   0.02) =   0.061%
        T HD3   LYS+  74 - HG2   GLN   30  12.86 +/- 1.95   1.933% *  2.1746% (0.57 10.00   0.02   0.02) =   0.055%
        T HD2   LYS+ 121 - HG2   GLN   30  21.03 +/- 3.70   0.550% *  2.9354% (0.76 10.00   0.02   0.02) =   0.021%
        T HB3   LYS+ 121 - HG2   GLN   30  22.33 +/- 4.28   0.520% *  2.7891% (0.73 10.00   0.02   0.02) =   0.019%
          HG    LEU  104 - HG2   GLN   30  17.09 +/- 4.13   3.972% *  0.2789% (0.73  1.00   0.02   0.02) =   0.015%
          HG2   LYS+  65 - HG2   GLN   30  14.79 +/- 3.18   1.705% *  0.2638% (0.69  1.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - HG2   GLN   30  10.49 +/- 1.77   3.307% *  0.1310% (0.34  1.00   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HG2   GLN   30  27.86 +/- 3.03   0.195% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.03, residual support = 237.9:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.74 +/- 0.28  96.442% * 99.8036% (0.95  10.0 10.00   7.03 237.95) =  99.996%  kept
          QB    ALA   47 - HB3   LYS+ 112  11.11 +/- 2.25   2.063% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   42 - HB3   LYS+ 112  12.91 +/- 2.05   1.495% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.39 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 = 6.52, residual support = 237.9:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.77 +/- 0.23  97.161% * 99.8561% (0.73  10.0 10.00   6.52 237.95) =  99.999%  kept
          HB    THR   46 - HB3   LYS+ 112  13.91 +/- 3.18   2.054% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB3   LYS+ 112  17.14 +/- 1.40   0.468% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  25.69 +/- 4.80   0.316% *  0.0516% (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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 237.9:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.38 +/- 0.54  98.012% * 99.7523% (0.97  10.0   5.99 237.95) =  99.999%  kept
          HN    THR   46 - HB3   LYS+ 112  14.63 +/- 2.29   0.654% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  13.06 +/- 3.27   1.053% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  20.72 +/- 3.68   0.246% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  38.14 +/- 5.63   0.036% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.73, residual support = 237.9:
      O   HN    LYS+ 112 - HB2   LYS+ 112   3.13 +/- 0.46  88.850% * 99.6310% (0.84  10.0   5.73 237.95) =  99.995%  kept
          HN    LYS+  74 - HB    VAL   42   9.55 +/- 1.83   4.940% *  0.0310% (0.26   1.0   0.02   0.02) =   0.002%
          HN    ASP-  78 - HB2   LYS+ 112  18.02 +/- 4.00   3.540% *  0.0407% (0.34   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HB    VAL   42  17.92 +/- 2.31   0.681% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB2   LYS+ 112  20.08 +/- 3.85   0.860% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  16.30 +/- 0.81   0.718% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  24.19 +/- 3.42   0.329% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  37.61 +/- 5.49   0.082% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.826, support = 2.05, residual support = 3.94:
          HA    PHE   72 - HB    VAL   42   5.68 +/- 2.17  58.421% * 92.7583% (0.85   2.10   4.09) =  96.354%  kept
          HA    MET   96 - HB    VAL   42   8.22 +/- 1.95  31.257% *  6.4771% (0.19   0.65   0.02) =   3.600%  kept
          HA    PHE   72 - HB2   LYS+ 112  20.33 +/- 4.21   2.358% *  0.6230% (0.60   0.02   0.02) =   0.026%
          HA    MET   96 - HB2   LYS+ 112  14.35 +/- 2.42   7.963% *  0.1415% (0.14   0.02   0.02) =   0.020%
    Distance limit 3.81 A violated in 10 structures by 1.47 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.1, residual support = 87.9:
      O   HN    VAL   42 - HB    VAL   42   2.75 +/- 0.27  73.652% * 85.5066% (0.80  10.0   6.16  89.71) =  97.925%  kept
          HN    LEU   73 - HB    VAL   42   6.63 +/- 1.94   9.330% * 14.2265% (0.80   1.0   3.33   0.51) =   2.064%  kept
          HN    LYS+ 106 - HB2   LYS+ 112  13.97 +/- 2.98  12.331% *  0.0423% (0.40   1.0   0.02   0.02) =   0.008%
          HN    LYS+ 106 - HB    VAL   42  11.39 +/- 2.47   1.446% *  0.0599% (0.56   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HB    VAL   42   9.50 +/- 2.16   2.294% *  0.0258% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LEU   73 - HB2   LYS+ 112  19.74 +/- 4.17   0.417% *  0.0603% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  18.81 +/- 2.72   0.321% *  0.0603% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.47 +/- 3.28   0.209% *  0.0182% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.531, support = 1.78, residual support = 3.41:
          QD    PHE   60 - HB    VAL   42   8.57 +/- 2.55  16.789% * 72.5987% (0.66   2.14   4.47) =  71.581%  kept
          QD    PHE   55 - HB2   LYS+ 112   6.13 +/- 4.89  42.436% *  5.4217% (0.12   0.87   1.08) =  13.512%  kept
          HE3   TRP   27 - HB    VAL   42   9.45 +/- 2.46  16.656% * 11.5866% (0.22   1.04   0.55) =  11.334%  kept
          QD    PHE   60 - HB2   LYS+ 112  11.44 +/- 2.37   6.874% *  8.1338% (0.47   0.34   0.02) =   3.284%  kept
          HN    LYS+  66 - HB    VAL   42   9.83 +/- 1.68   8.313% *  0.2474% (0.24   0.02   0.02) =   0.121%  kept
          HN    LYS+  81 - HB2   LYS+ 112  21.77 +/- 4.99   1.578% *  0.6224% (0.61   0.02   0.02) =   0.058%
          HN    LYS+  81 - HB    VAL   42  19.82 +/- 2.40   0.870% *  0.8820% (0.86   0.02   0.02) =   0.045%
          HN    LYS+  66 - HB2   LYS+ 112  16.60 +/- 2.70   4.238% *  0.1746% (0.17   0.02   0.02) =   0.043%
          QD    PHE   55 - HB    VAL   42  16.90 +/- 2.50   1.437% *  0.1761% (0.17   0.02   0.02) =   0.015%
          HE3   TRP   27 - HB2   LYS+ 112  22.53 +/- 2.87   0.810% *  0.1566% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.02 A violated in 3 structures by 0.49 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.488, support = 0.764, residual support = 4.08:
        T QD    PHE   72 - HB    VAL   42   4.26 +/- 1.54  49.490% * 79.8778% (0.46 10.00   0.74   4.09) =  89.671%  kept
          HZ    PHE   72 - HB    VAL   42   6.27 +/- 2.40  24.806% * 18.1009% (0.78  1.00   0.98   4.09) =  10.185%  kept
        T QD    PHE   72 - HB2   LYS+ 112  16.04 +/- 2.95   2.020% *  1.5230% (0.32 10.00   0.02   0.02) =   0.070%
          QE    PHE   45 - HB    VAL   42   8.91 +/- 1.52  13.910% *  0.1399% (0.30  1.00   0.02   0.02) =   0.044%
          QE    PHE   45 - HB2   LYS+ 112  13.48 +/- 3.11   7.505% *  0.0987% (0.21  1.00   0.02   0.02) =   0.017%
          HZ    PHE   72 - HB2   LYS+ 112  16.55 +/- 3.41   2.268% *  0.2596% (0.55  1.00   0.02   0.02) =   0.013%
    Distance limit 3.94 A violated in 4 structures by 0.64 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   2.70 +/- 0.17  97.765% * 99.2681% (0.14  10.0   2.86  15.43) =  99.983%  kept
          HN    LEU   40 - HA1   GLY  101  12.27 +/- 4.48   2.235% *  0.7319% (1.00   1.0   0.02   0.02) =   0.017%
    Distance limit 3.40 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   2.71 +/- 0.27  98.053% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  12.60 +/- 4.74   1.947% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.25 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 = 1.71, residual support = 5.15:
      O   HN    SER   13 - HA    ALA   12   2.64 +/- 0.43  98.468% * 99.9813% (0.84  10.0   1.71   5.15) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.79 +/- 2.62   1.532% *  0.0187% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.3:
      O   HN    ALA   12 - HA    ALA   12   2.81 +/- 0.06  98.984% * 99.8617% (0.85  10.0   2.38  12.35) =  99.999%  kept
          HN    ASN   35 - HA    ALA   12  16.96 +/- 4.12   0.824% *  0.0618% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ALA   12  27.54 +/- 3.55   0.130% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.92 +/- 3.20   0.062% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 2.3, residual support = 12.3:
      O   HN    ALA   12 - QB    ALA   12   2.75 +/- 0.25  97.878% * 99.7294% (0.46  10.0   2.30  12.35) =  99.997%  kept
          HN    ASN   35 - QB    ALA   12  13.98 +/- 3.85   1.558% *  0.1891% (0.87   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - QB    ALA   12  21.02 +/- 4.19   0.323% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  22.37 +/- 3.49   0.241% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 3.49, residual support = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.42 +/- 0.16  94.900% * 99.5700% (0.65  10.0   3.49  12.06) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   7.74 +/- 0.96   3.613% *  0.0391% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    MET   11  18.07 +/- 4.06   0.368% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  14.52 +/- 2.91   0.770% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.48 +/- 3.88   0.185% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.22 +/- 3.98   0.067% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.95 +/- 4.37   0.034% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  29.47 +/- 3.01   0.062% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 3.57, residual support = 12.1:
          HN    ALA   12 - HG3   MET   11   4.16 +/- 0.39  77.902% * 98.7279% (0.97   3.58  12.06) =  99.945%  kept
          HN    ALA   12 - HB3   GLU-  14   7.87 +/- 1.29  15.536% *  0.1960% (0.34   0.02   0.02) =   0.040%
          HN    ASN   35 - HG3   MET   11  18.82 +/- 4.69   1.811% *  0.3239% (0.57   0.02   0.02) =   0.008%
          HN    ASN   35 - HB3   GLU-  14  13.88 +/- 2.85   3.337% *  0.1150% (0.20   0.02   0.02) =   0.005%
          HN    PHE   97 - HG3   MET   11  30.19 +/- 4.47   0.272% *  0.2352% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  22.80 +/- 3.84   0.717% *  0.0835% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  36.89 +/- 4.26   0.131% *  0.2352% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  29.14 +/- 3.52   0.295% *  0.0835% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.09, residual support = 6.61:
      O   HN    GLU-  14 - HA    SER   13   2.49 +/- 0.28  88.935% * 99.1146% (0.92  10.0   2.09   6.61) =  99.994%  kept
          HN    GLU-  14 - HA    SER   37  12.55 +/- 3.68   2.522% *  0.0530% (0.49   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HA    SER   13  15.19 +/- 3.76   1.204% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    SER   13  16.44 +/- 4.66   2.763% *  0.0331% (0.31   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    SER   37  15.12 +/- 5.15   0.809% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.24 +/- 1.57   0.660% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.26 +/- 1.19   0.668% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.12 +/- 4.94   0.355% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  16.36 +/- 2.43   0.411% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  19.44 +/- 4.17   0.257% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.65 +/- 1.32   0.230% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  24.68 +/- 4.15   0.124% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  20.18 +/- 1.73   0.184% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.40 +/- 2.82   0.145% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.19 +/- 1.13   0.440% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.69 +/- 3.01   0.057% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  27.82 +/- 4.12   0.079% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  21.48 +/- 1.73   0.154% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.613, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.05 +/- 1.82  14.965% * 21.8157% (0.99   0.02   0.02) =  29.254%  kept
          HN    ILE   19 - HA    SER   37  14.04 +/- 2.17  11.844% * 11.6574% (0.53   0.02   0.02) =  12.372%  kept
          HN    ILE   19 - HA    THR   46  16.06 +/- 3.63   9.373% * 13.2032% (0.60   0.02   0.02) =  11.089%  kept
          HN    LEU   73 - HA    THR   46  13.25 +/- 2.23  14.470% *  7.5418% (0.34   0.02   0.02) =   9.779%  kept
          HN    LEU   73 - HA    SER   13  16.38 +/- 2.24   7.373% * 12.4613% (0.57   0.02   0.02) =   8.232%  kept
          HN    VAL   42 - HA    SER   37  13.23 +/- 1.16  13.646% *  6.6588% (0.30   0.02   0.02) =   8.142%  kept
          HN    VAL   42 - HA    THR   46  13.70 +/- 0.75  11.482% *  7.5418% (0.34   0.02   0.02) =   7.760%  kept
          HN    VAL   42 - HA    SER   13  17.82 +/- 2.25   6.382% * 12.4613% (0.57   0.02   0.02) =   7.126%  kept
          HN    LEU   73 - HA    SER   37  14.79 +/- 2.26  10.466% *  6.6588% (0.30   0.02   0.02) =   6.245%  kept
    Distance limit 3.42 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB3   SER   37   2.94 +/- 0.56  88.550% * 99.5355% (0.83  10.0   3.80  29.75) =  99.991%  kept
          HN    SER   37 - QB    SER   13  12.57 +/- 3.54   8.587% *  0.0762% (0.63   1.0   0.02   0.02) =   0.007%
          HN    CYS   21 - QB    SER   13  14.91 +/- 2.86   1.222% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.88 +/- 4.13   0.349% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.90 +/- 2.12   0.766% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  25.25 +/- 2.43   0.192% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.24 +/- 2.91   0.154% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  25.66 +/- 3.05   0.178% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.655, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  22.32 +/- 2.61  24.127% * 22.8936% (0.69   0.02   0.02) =  35.222%  kept
          HA    TRP   87 - HB3   GLU-  14  26.96 +/- 3.60  14.604% * 33.2545% (1.00   0.02   0.02) =  30.968%  kept
          HA    LEU  104 - HB3   GLU-  14  24.58 +/- 5.25  20.231% * 12.5086% (0.38   0.02   0.02) =  16.137%  kept
          HA    TRP   87 - HG3   MET   11  33.41 +/- 5.56   8.394% * 11.8063% (0.35   0.02   0.02) =   6.319%  kept
          HA    PHE   59 - HG3   MET   11  30.30 +/- 3.70  10.688% *  8.1279% (0.24   0.02   0.02) =   5.540%  kept
          HA    ASP- 113 - HB3   GLU-  14  31.24 +/- 3.76   8.355% *  5.1424% (0.15   0.02   0.02) =   2.740%  kept
          HA    LEU  104 - HG3   MET   11  31.65 +/- 5.37   8.941% *  4.4409% (0.13   0.02   0.02) =   2.532%  kept
          HA    ASP- 113 - HG3   MET   11  38.90 +/- 4.47   4.660% *  1.8257% (0.05   0.02   0.02) =   0.543%  kept
    Distance limit 3.62 A violated in 20 structures by 14.65 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.89, residual support = 45.7:
      O   HN    GLU-  14 - HB3   GLU-  14   3.22 +/- 0.45  88.467% * 99.5831% (0.92  10.0   3.89  45.73) =  99.995%  kept
          HN    GLU-  14 - HG3   MET   11   9.60 +/- 1.16   4.414% *  0.0354% (0.33   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB3   GLU-  14  13.32 +/- 3.17   3.607% *  0.0368% (0.34   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLU-  14  21.03 +/- 5.13   0.802% *  0.1079% (1.00   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  14  22.13 +/- 4.01   0.438% *  0.1069% (0.99   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HG3   MET   11  18.85 +/- 4.86   1.572% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  27.65 +/- 5.23   0.238% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  28.09 +/- 3.47   0.186% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  30.06 +/- 3.64   0.143% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  34.15 +/- 5.72   0.133% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 3.87, residual support = 45.7:
      O   HN    GLU-  14 - HB2   GLU-  14   3.36 +/- 0.48  85.836% * 99.3938% (0.49  10.0   3.87  45.73) =  99.991%  kept
          HN    GLU-  14 - HG2   MET   11   9.17 +/- 1.08   5.650% *  0.0372% (0.18   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLU-  14  21.53 +/- 5.21   1.281% *  0.1483% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   GLU-  14  14.50 +/- 2.93   1.859% *  0.0839% (0.41   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLU-  14  22.28 +/- 4.04   0.440% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ARG+  54  18.24 +/- 3.72   2.065% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  18.48 +/- 4.40   1.227% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  27.19 +/- 5.56   0.327% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  29.53 +/- 3.75   0.172% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  26.27 +/- 3.64   0.384% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.27 +/- 5.02   0.507% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  30.01 +/- 5.09   0.251% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.67:
      O   HN    GLY   16 - HA    GLU-  15   2.64 +/- 0.28  95.872% * 99.5949% (0.97  10.0   2.05   5.67) =  99.998%  kept
          HN    GLY   16 - HA    LEU   40  10.86 +/- 2.43   2.027% *  0.0805% (0.78   1.0   0.02   0.02) =   0.002%
          HN    GLY   16 - HA    ASN   35  12.57 +/- 2.45   1.171% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.49 +/- 2.45   0.286% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  24.07 +/- 3.61   0.182% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  26.21 +/- 3.22   0.110% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  26.79 +/- 3.86   0.114% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.19 +/- 2.44   0.110% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  27.60 +/- 5.74   0.128% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 94.8:
      O   HN    ASN   28 - HA    ASN   28   2.73 +/- 0.05  99.482% * 99.8927% (0.84  10.0   5.68  94.76) =  99.999%  kept
          HN    ASN   69 - HA    ASN   28  18.57 +/- 2.61   0.518% *  0.1073% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 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 = 19.2:
        T HB2   LEU   31 - HA    ASN   28   3.61 +/- 0.24  70.029% * 92.7621% (0.38 10.00   2.55  19.19) =  99.810%  kept
          HB3   LEU   73 - HA    ASN   28   9.66 +/- 2.13   4.605% *  0.9284% (0.38  1.00   0.20   1.21) =   0.066%
        T QB    ALA   84 - HA    ASN   28  15.97 +/- 4.89   1.558% *  2.4661% (1.00 10.00   0.02   0.02) =   0.059%
          HG    LEU   98 - HA    ASN   28  13.08 +/- 4.08   7.797% *  0.2385% (0.97  1.00   0.02   0.02) =   0.029%
        T QB    ALA  124 - HA    ASN   28  23.39 +/- 3.49   0.357% *  2.2166% (0.90 10.00   0.02   0.02) =   0.012%
          HG3   LYS+  33 - HA    ASN   28   8.72 +/- 1.10   5.797% *  0.0616% (0.25  1.00   0.02   0.02) =   0.005%
          HB3   LEU   80 - HA    ASN   28  17.30 +/- 7.57   2.272% *  0.1300% (0.53  1.00   0.02   0.95) =   0.005%
          HB3   ASP-  44 - HA    ASN   28  16.16 +/- 1.76   0.904% *  0.1889% (0.76  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    ASN   28  18.85 +/- 3.07   1.006% *  0.1599% (0.65  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    ASN   28  13.34 +/- 2.15   1.878% *  0.0763% (0.31  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    ASN   28  17.99 +/- 3.82   0.834% *  0.1499% (0.61  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HA    ASN   28  17.90 +/- 5.23   1.036% *  0.1016% (0.41  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    ASN   28  21.54 +/- 2.23   0.413% *  0.2472% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ASN   28  17.89 +/- 2.94   1.139% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  26.58 +/- 3.32   0.216% *  0.1203% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  28.62 +/- 3.02   0.161% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.611, support = 3.79, residual support = 18.7:
          HG    LEU   31 - HA    ASN   28   3.65 +/- 0.99  79.006% * 87.2974% (0.61   3.89  19.19) =  97.050%  kept
          QD2   LEU   73 - HA    ASN   28   7.13 +/- 2.07  18.422% * 11.3103% (0.76   0.40   1.21) =   2.932%  kept
          QD1   ILE   56 - HA    ASN   28  20.08 +/- 2.50   1.050% *  0.7133% (0.97   0.02   0.02) =   0.011%
          HG3   LYS+ 121 - HA    ASN   28  22.52 +/- 5.25   0.798% *  0.5649% (0.76   0.02   0.02) =   0.006%
          QD2   LEU  123 - HA    ASN   28  22.88 +/- 3.03   0.723% *  0.1140% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.68, residual support = 5.36:
      O   HN    GLY   16 - HA2   GLY   16   2.86 +/- 0.13  99.685% * 99.8461% (0.97  10.0   2.68   5.36) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  25.04 +/- 3.64   0.198% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.18 +/- 3.80   0.117% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 16.9:
      O   HN    GLN   17 - HA2   GLY   16   3.42 +/- 0.07  91.452% * 99.5709% (0.65  10.0   3.26  16.90) =  99.994%  kept
          HD21  ASN   69 - HA2   GLY   16  10.88 +/- 3.37   5.842% *  0.0690% (0.45   1.0   0.02   0.02) =   0.004%
          HN    ALA   61 - HA2   GLY   16  17.09 +/- 3.19   0.969% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA2   GLY   16  23.36 +/- 3.21   0.353% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  17.04 +/- 2.11   0.973% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  26.26 +/- 3.02   0.226% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  28.18 +/- 3.49   0.186% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 16.9:
      O   HN    GLN   17 - HA1   GLY   16   3.27 +/- 0.08  89.551% * 99.5709% (0.65  10.0   3.26  16.90) =  99.992%  kept
          HD21  ASN   69 - HA1   GLY   16  10.02 +/- 3.44   7.830% *  0.0690% (0.45   1.0   0.02   0.02) =   0.006%
          HN    ALA   61 - HA1   GLY   16  16.32 +/- 3.31   0.920% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA1   GLY   16  22.04 +/- 3.22   0.364% *  0.1232% (0.80   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA1   GLY   16  16.28 +/- 2.16   0.931% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  25.03 +/- 3.09   0.226% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  27.02 +/- 3.51   0.178% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 2.68, residual support = 5.36:
      O   HN    GLY   16 - HA1   GLY   16   2.32 +/- 0.14  99.404% * 99.6694% (0.57  10.0   2.68   5.36) = 100.000%  kept
          HN    SER   82 - HA1   GLY   16  27.27 +/- 3.86   0.074% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  20.98 +/- 4.40   0.325% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  23.96 +/- 3.73   0.118% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  26.14 +/- 3.11   0.078% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.582, support = 4.31, residual support = 84.3:
      O T HB3   GLN   17 - QG    GLN   17   2.39 +/- 0.11  62.724% * 91.2535% (0.58  10.0 10.00   4.31  84.59) =  99.464%  kept
          HB2   LEU   71 - HB    VAL   70   6.50 +/- 0.39   3.334% *  7.0002% (0.15   1.0  1.00   5.84  33.81) =   0.406%  kept
          HB2   LEU   71 - QG    GLN   17   7.63 +/- 3.67   5.632% *  1.0533% (0.75   1.0  1.00   0.18   0.02) =   0.103%  kept
          QB    LYS+  65 - QG    GLN   17   8.83 +/- 3.36   5.103% *  0.1152% (0.74   1.0  1.00   0.02   0.02) =   0.010%
        T HB3   GLN   17 - HB    VAL   70   9.90 +/- 2.27   2.148% *  0.1869% (0.12   1.0 10.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - QG    GLN   17   9.15 +/- 2.81   6.371% *  0.0491% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QG    GLN   17  12.34 +/- 2.95   2.796% *  0.0298% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG    GLN   17  16.37 +/- 4.78   2.766% *  0.0184% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   8.24 +/- 0.94   1.745% *  0.0236% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG    GLN   17  18.82 +/- 3.59   0.303% *  0.1071% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   7.36 +/- 0.90   2.564% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.95 +/- 1.80   1.915% *  0.0061% (0.04   1.0  1.00   0.02   2.61) =   0.000%
          HG2   PRO   93 - QG    GLN   17  21.15 +/- 3.28   0.112% *  0.0820% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  18.51 +/- 3.54   0.387% *  0.0184% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  15.87 +/- 2.87   0.284% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  12.07 +/- 4.55   1.251% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.57 +/- 2.03   0.180% *  0.0168% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.46 +/- 2.66   0.386% *  0.0038% (0.02   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 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.481, support = 5.56, residual support = 82.7:
          HN    GLN   17 - QG    GLN   17   3.02 +/- 0.70  61.299% * 88.9253% (0.49   5.60  84.59) =  96.869%  kept
          HD21  ASN   69 - HB    VAL   70   6.01 +/- 1.46  18.451% *  9.4071% (0.07   4.18  25.51) =   3.084%  kept
          HD21  ASN   69 - QG    GLN   17  10.76 +/- 2.32   5.862% *  0.2199% (0.34   0.02   0.02) =   0.023%
          HN    GLN   17 - HB    VAL   70   9.13 +/- 2.55   5.928% *  0.0650% (0.10   0.02   0.02) =   0.007%
          HN    ALA   61 - QG    GLN   17  13.37 +/- 2.92   1.518% *  0.2388% (0.37   0.02   0.02) =   0.006%
          HE3   TRP   87 - QG    GLN   17  19.14 +/- 3.43   0.393% *  0.3928% (0.61   0.02   0.02) =   0.003%
          HN    ALA   61 - HB    VAL   70  10.42 +/- 1.77   3.100% *  0.0489% (0.08   0.02   0.02) =   0.003%
          HN    TRP   27 - QG    GLN   17  12.93 +/- 1.64   1.081% *  0.0757% (0.12   0.02   0.02) =   0.001%
          HN    TRP   87 - QG    GLN   17  21.16 +/- 3.24   0.281% *  0.2388% (0.37   0.02   0.02) =   0.001%
          HN    ALA   91 - QG    GLN   17  22.73 +/- 3.57   0.271% *  0.2017% (0.31   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  16.81 +/- 2.82   0.507% *  0.0805% (0.13   0.02   0.02) =   0.001%
          HN    TRP   87 - HB    VAL   70  19.58 +/- 2.14   0.307% *  0.0489% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  20.03 +/- 1.72   0.348% *  0.0413% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.76 +/- 1.79   0.654% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.0:
          HN    VAL   18 - QG    GLN   17   3.01 +/- 0.75  72.148% * 99.7447% (0.76   5.80  50.03) =  99.972%  kept
          HN    SER   13 - QG    GLN   17   9.65 +/- 2.26  16.717% *  0.0767% (0.17   0.02   0.02) =   0.018%
          HN    VAL   18 - HB    VAL   70   8.27 +/- 2.59   5.373% *  0.0704% (0.16   0.02   0.02) =   0.005%
          HN    GLU-  29 - QG    GLN   17  13.72 +/- 2.36   4.051% *  0.0767% (0.17   0.02   0.02) =   0.004%
          HN    GLU-  29 - HB    VAL   70  16.67 +/- 1.90   0.994% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.99 +/- 3.16   0.718% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 84.6:
      O   HN    GLN   17 - HB3   GLN   17   3.05 +/- 0.34  93.896% * 99.5709% (0.65  10.0   5.27  84.59) =  99.996%  kept
          HD21  ASN   69 - HB3   GLN   17  12.20 +/- 2.53   2.576% *  0.0690% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB3   GLN   17  15.04 +/- 3.22   1.369% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   GLN   17  21.66 +/- 3.61   0.529% *  0.1232% (0.80   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  14.81 +/- 2.34   1.172% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.05 +/- 3.18   0.266% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.81 +/- 3.60   0.193% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.46, residual support = 50.0:
          HN    VAL   18 - HB3   GLN   17   3.43 +/- 0.67  79.162% * 99.8369% (1.00   5.46  50.03) =  99.979%  kept
          HN    SER   13 - HB3   GLN   17  10.52 +/- 2.10  16.811% *  0.0816% (0.22   0.02   0.02) =   0.017%
          HN    GLU-  29 - HB3   GLN   17  15.73 +/- 3.06   4.027% *  0.0816% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.99, residual support = 84.4:
      O T HB3   GLN   17 - HA    GLN   17   2.73 +/- 0.22  68.816% * 98.2416% (0.76  10.0 10.00   4.00  84.59) =  99.825%  kept
          QB    LYS+  65 - HA    GLN   17   9.47 +/- 4.24   7.248% *  1.3042% (0.97   1.0  1.00   0.21   0.02) =   0.140%  kept
          HB2   LEU   71 - HA    GLN   17   7.71 +/- 4.14  15.630% *  0.1260% (0.98   1.0  1.00   0.02   0.02) =   0.029%
          QB    LYS+  66 - HA    GLN   17   9.44 +/- 3.49   5.906% *  0.0528% (0.41   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - HA    GLN   17  12.87 +/- 2.86   1.088% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    GLN   17  19.95 +/- 3.90   0.272% *  0.1153% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  22.83 +/- 3.32   0.153% *  0.0883% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  16.99 +/- 4.92   0.612% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  19.62 +/- 3.62   0.275% *  0.0198% (0.15   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 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.11, residual support = 84.5:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  74.206% * 94.0226% (0.18  10.0 10.00   4.12  84.59) =  99.880%  kept
        T HB3   GLN   17 - HB3   PRO   68  10.51 +/- 4.12   1.584% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.053%
        T HB3   GLN   17 - QB    GLU-  15   6.30 +/- 0.50   1.689% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.026%
          HB2   LEU   71 - QB    GLU-  15   7.37 +/- 3.70  10.045% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.019%
          QB    LYS+  66 - HB3   PRO   68   6.12 +/- 1.25   2.753% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HB2   GLN   17   9.83 +/- 3.95   2.222% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HB3   PRO   68   8.67 +/- 1.01   0.826% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HB2   GLN   17   8.82 +/- 3.64   1.476% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB3   PRO   68   9.88 +/- 1.73   0.585% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HB2   GLN   17  10.22 +/- 2.93   1.072% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QB    GLU-  15  13.06 +/- 2.41   0.250% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  13.74 +/- 3.08   0.973% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.58 +/- 2.48   0.298% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  21.31 +/- 3.99   0.100% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  20.41 +/- 3.42   0.060% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  12.78 +/- 2.24   0.249% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  20.96 +/- 4.06   0.109% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.15 +/- 3.42   0.090% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  12.28 +/- 1.95   0.266% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  18.25 +/- 5.21   0.421% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  17.18 +/- 5.31   0.137% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.71 +/- 4.62   0.230% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.05 +/- 3.19   0.066% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  23.49 +/- 3.19   0.037% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  20.62 +/- 3.96   0.153% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  24.66 +/- 2.34   0.029% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.04 +/- 2.84   0.071% *  0.0213% (0.04   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 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.7:
      O   HA    PRO   68 - HB3   PRO   68   2.35 +/- 0.13  80.881% * 99.9155% (0.19  10.0   2.96  36.68) =  99.990%  kept
          HA    PRO   68 - HB2   GLN   17   9.13 +/- 3.62  16.345% *  0.0398% (0.07   1.0   0.02   0.02) =   0.008%
          HA    PRO   68 - QB    GLU-  15  10.30 +/- 3.40   2.774% *  0.0447% (0.08   1.0   0.02   0.02) =   0.002%
    Distance limit 3.53 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 = 0.242, support = 5.45, residual support = 49.9:
          HN    VAL   18 - HB2   GLN   17   3.00 +/- 0.64  66.630% * 97.9566% (0.24   5.46  50.03) =  99.815%  kept
          HN    VAL   18 - HB3   PRO   68  10.34 +/- 4.25   9.370% *  0.8997% (0.61   0.02   0.02) =   0.129%  kept
          HN    VAL   18 - QB    GLU-  15   8.01 +/- 0.59   4.582% *  0.4025% (0.27   0.02   0.02) =   0.028%
          HN    SER   13 - QB    GLU-  15   6.85 +/- 0.99  10.581% *  0.0898% (0.06   0.02   0.02) =   0.015%
          HN    SER   13 - HB2   GLN   17  10.99 +/- 2.29   4.294% *  0.0800% (0.05   0.02   0.02) =   0.005%
          HN    GLU-  29 - QB    GLU-  15  12.72 +/- 3.13   2.711% *  0.0898% (0.06   0.02   0.02) =   0.004%
          HN    SER   13 - HB3   PRO   68  17.18 +/- 3.06   0.589% *  0.2008% (0.14   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB2   GLN   17  15.73 +/- 2.87   0.902% *  0.0800% (0.05   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   PRO   68  21.09 +/- 3.18   0.341% *  0.2008% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.46, residual support = 50.0:
      O   HN    VAL   18 - HA    GLN   17   2.57 +/- 0.13  99.151% * 99.9233% (0.84  10.0   5.46  50.03) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  15.98 +/- 2.38   0.723% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.61 +/- 3.47   0.126% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.64, support = 0.02, residual support = 0.692:
        T QB    ALA   64 - HA    GLN   17   7.21 +/- 3.43  65.156% * 38.1619% (0.69 10.00   0.02   0.93) =  73.754%  kept
        T QG1   VAL   42 - HA    GLN   17  10.47 +/- 2.62  25.984% * 27.0421% (0.49 10.00   0.02   0.02) =  20.842%  kept
        T QB    ALA   47 - HA    GLN   17  18.68 +/- 3.45   5.290% * 33.6965% (0.61 10.00   0.02   0.02) =   5.287%  kept
          HG2   LYS+ 112 - HA    GLN   17  23.53 +/- 3.82   3.570% *  1.0994% (0.20  1.00   0.02   0.02) =   0.116%  kept
    Distance limit 3.12 A violated in 16 structures by 3.77 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.98, residual support = 76.2:
      O   HN    VAL   18 - HB    VAL   18   2.56 +/- 0.52  98.940% * 99.9233% (0.84  10.0   4.98  76.22) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  14.65 +/- 1.40   0.731% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  21.09 +/- 3.80   0.329% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.605, support = 0.49, residual support = 2.89:
        T HB2   PHE   72 - HA    VAL   18   6.42 +/- 2.95  45.968% * 71.9189% (0.49 10.00   0.41   0.94) =  75.326%  kept
          HA    ALA   64 - HA    VAL   18   6.97 +/- 3.42  40.051% * 26.4774% (0.98  1.00   0.75   9.04) =  24.163%  kept
        T HB3   ASN   35 - HA    VAL   18  15.29 +/- 1.40  13.981% *  1.6037% (0.22 10.00   0.02   0.02) =   0.511%  kept
    Distance limit 3.82 A violated in 3 structures by 1.67 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.81, residual support = 22.7:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.06  89.792% * 95.4535% (0.73  10.0   4.83  22.74) =  99.616%  kept
          HN    LEU   73 - HA    VAL   18   6.29 +/- 3.66   7.444% *  4.3959% (0.92   1.0   0.72   0.94) =   0.380%  kept
          HN    VAL   42 - HA    VAL   18   8.58 +/- 3.02   2.604% *  0.1213% (0.92   1.0   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HA    VAL   18  19.31 +/- 2.23   0.159% *  0.0293% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.698, support = 0.924, residual support = 0.681:
          HG    LEU   73 - QG1   VAL   18   6.89 +/- 3.04  16.439% * 65.9494% (0.61   1.21   0.94) =  71.129%  kept
          HG    LEU   67 - QG1   VAL   18   7.53 +/- 3.75  16.643% * 22.2853% (1.00   0.25   0.02) =  24.334%  kept
          QG    LYS+  66 - QG1   VAL   18   8.24 +/- 2.48   9.934% *  2.9036% (0.41   0.08   0.02) =   1.892%  kept
          HG    LEU   40 - QG1   VAL   18   9.30 +/- 1.67   5.586% *  1.7800% (0.99   0.02   0.02) =   0.652%  kept
          HB3   LEU   67 - QG1   VAL   18   6.89 +/- 3.58  16.670% *  0.4478% (0.25   0.02   0.02) =   0.490%  kept
          QB    ALA  120 - QG1   VAL   18  14.21 +/- 3.09   5.470% *  1.2336% (0.69   0.02   0.02) =   0.443%  kept
          QB    ALA   61 - QG1   VAL   18   7.05 +/- 3.12  19.157% *  0.2771% (0.15   0.02   2.07) =   0.348%  kept
          HB3   LEU   40 - QG1   VAL   18  10.23 +/- 1.58   5.817% *  0.8052% (0.45   0.02   0.02) =   0.307%  kept
          HB3   LEU  115 - QG1   VAL   18  15.00 +/- 2.93   1.427% *  1.7800% (0.99   0.02   0.02) =   0.167%  kept
          HG    LEU  115 - QG1   VAL   18  14.18 +/- 2.76   1.590% *  1.2336% (0.69   0.02   0.02) =   0.129%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.11 +/- 2.41   1.265% *  1.3041% (0.73   0.02   0.02) =   0.108%  kept
    Distance limit 2.95 A violated in 7 structures by 1.52 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 3.13, residual support = 8.46:
        T QB    ALA   34 - QG1   VAL   41   3.28 +/- 1.63  43.712% * 97.8928% (0.49 10.00   3.13   8.48) =  99.761%  kept
        T QB    ALA   34 - QG2   VAL   18   9.36 +/- 1.33   8.505% *  0.7481% (0.37 10.00   0.02   0.02) =   0.148%  kept
        T QG2   ILE   56 - QG1   VAL   41  14.97 +/- 2.00   2.800% *  0.6207% (0.31 10.00   0.02   0.02) =   0.041%
          QG2   THR   23 - QG2   VAL   18   9.80 +/- 1.77   5.171% *  0.1284% (0.64  1.00   0.02   0.02) =   0.015%
          QG2   THR   77 - QG2   VAL   18   9.87 +/- 3.17   5.354% *  0.0932% (0.46  1.00   0.02   0.02) =   0.012%
          QG2   THR   77 - QG1   VAL   41  12.26 +/- 0.99   1.933% *  0.1220% (0.61  1.00   0.02   0.02) =   0.005%
          QG2   THR   23 - QG1   VAL   41  12.04 +/- 2.30   1.299% *  0.1680% (0.84  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  38 - QG1   VAL   41   8.54 +/- 0.98   4.725% *  0.0352% (0.18  1.00   0.02   0.02) =   0.004%
          QG2   ILE   56 - QG2   VAL   18  12.00 +/- 2.29   2.525% *  0.0474% (0.24  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QG1   VAL   41  13.28 +/- 2.04   1.642% *  0.0501% (0.25  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - QD2   LEU  104   8.65 +/- 2.82   8.145% *  0.0053% (0.03  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   VAL   18  15.70 +/- 1.75   1.580% *  0.0269% (0.13  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   18  15.66 +/- 1.84   0.859% *  0.0383% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD2   LEU  104  13.68 +/- 1.87   2.531% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  16.27 +/- 3.44   1.655% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.83 +/- 2.97   3.165% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  12.83 +/- 2.96   2.213% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  11.34 +/- 4.24   2.186% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 4 structures by 0.79 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.83, support = 4.27, residual support = 75.2:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  51.558% * 87.3685% (0.84  10.0 10.00   4.30  76.02) =  98.672%  kept
          QB    LYS+  65 - QG2   VAL   18   5.77 +/- 3.23   7.445% *  2.8951% (0.55   1.0  1.00   1.00   0.02) =   0.472%  kept
          HB3   GLN   17 - QG2   VAL   18   5.05 +/- 1.00   6.022% *  3.2658% (0.15   1.0  1.00   4.13  50.03) =   0.431%  kept
          HB2   LEU   71 - QG1   VAL   41   6.21 +/- 2.31   4.387% *  2.6944% (0.69   1.0  1.00   0.75   2.81) =   0.259%  kept
          QB    LYS+  66 - QG2   VAL   18   7.22 +/- 2.65   2.937% *  2.1624% (0.74   1.0  1.00   0.56   0.02) =   0.139%  kept
        T HB    VAL   41 - QG2   VAL   18   9.96 +/- 2.30   0.842% *  0.6677% (0.64   1.0 10.00   0.02   0.02) =   0.012%
          HG12  ILE  103 - QG1   VAL   41   7.95 +/- 2.80   1.769% *  0.0718% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QG1   VAL   41   8.97 +/- 2.85   1.131% *  0.0874% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD2   LEU  104   7.96 +/- 2.73   2.062% *  0.0469% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG2   VAL   18   7.86 +/- 2.05   1.658% *  0.0549% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG1   VAL   41  11.29 +/- 2.78   3.393% *  0.0207% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG1   VAL   41  12.01 +/- 1.90   0.440% *  0.1009% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.66 +/- 0.83   6.868% *  0.0047% (0.04   1.0  1.00   0.02   0.32) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  11.76 +/- 1.27   0.349% *  0.0760% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD2   LEU  104   5.40 +/- 1.04   4.478% *  0.0039% (0.04   1.0  1.00   0.02  38.63) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  15.81 +/- 2.70   0.160% *  0.0784% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.76 +/- 1.47   0.118% *  0.1025% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.90 +/- 2.41   0.198% *  0.0549% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.12 +/- 2.38   0.150% *  0.0668% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  14.08 +/- 3.55   1.656% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.72 +/- 3.99   0.261% *  0.0329% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  17.50 +/- 3.17   0.123% *  0.0430% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  17.62 +/- 2.40   0.109% *  0.0329% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.85 +/- 1.77   0.061% *  0.0430% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.21 +/- 3.75   0.657% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.17 +/- 2.69   0.345% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.61 +/- 1.59   0.134% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  15.43 +/- 4.93   0.286% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  16.34 +/- 3.60   0.331% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.83 +/- 2.90   0.070% *  0.0023% (0.02   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.528, support = 2.82, residual support = 15.0:
          HB3   LEU   40 - QG1   VAL   41   4.95 +/- 0.55  11.549% * 71.3163% (0.46   3.76  20.66) =  72.668%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.82 +/- 3.49  22.656% *  9.6216% (0.76   0.31   0.02) =  19.232%  kept
          QD    LYS+  66 - QG2   VAL   18   7.94 +/- 2.86   7.145% *  5.5862% (0.31   0.44   0.02) =   3.522%  kept
          QG2   THR   26 - QG1   VAL   41   9.00 +/- 2.38   3.080% *  7.5026% (0.64   0.29   0.02) =   2.039%  kept
          HB2   LYS+  74 - QG2   VAL   18   5.10 +/- 3.20  23.078% *  0.8104% (0.99   0.02   1.39) =   1.650%  kept
          QG2   THR   26 - QG2   VAL   18   7.89 +/- 1.66   8.325% *  0.6829% (0.84   0.02   0.02) =   0.502%  kept
          HB2   LYS+  74 - QG1   VAL   41  11.12 +/- 1.92   1.166% *  0.6193% (0.76   0.02   0.02) =   0.064%
          HB3   LEU   40 - QD2   LEU  104   7.33 +/- 3.97   8.553% *  0.0762% (0.09   0.02   0.02) =   0.058%
          HB3   LEU   40 - QG2   VAL   18  10.79 +/- 1.40   1.202% *  0.4959% (0.61   0.02   0.02) =   0.053%
          HD2   LYS+ 121 - QG2   VAL   18  14.44 +/- 4.14   0.800% *  0.5616% (0.69   0.02   0.02) =   0.040%
          HD2   LYS+ 121 - QG1   VAL   41  13.09 +/- 4.13   0.850% *  0.4292% (0.52   0.02   0.02) =   0.032%
          HG2   LYS+  65 - QG1   VAL   41  13.22 +/- 1.65   0.638% *  0.4775% (0.58   0.02   0.02) =   0.027%
          HD2   LYS+ 121 - QD2   LEU  104  10.62 +/- 5.60   2.703% *  0.0863% (0.11   0.02   0.02) =   0.021%
          HG    LEU  115 - QG2   VAL   18  13.99 +/- 2.81   0.743% *  0.3069% (0.38   0.02   0.02) =   0.020%
          QB    ALA  120 - QG2   VAL   18  14.02 +/- 2.92   0.523% *  0.3069% (0.38   0.02   0.02) =   0.014%
          QD    LYS+  66 - QG1   VAL   41  13.05 +/- 1.71   0.734% *  0.1929% (0.24   0.02   0.02) =   0.012%
          QG2   THR   26 - QD2   LEU  104  14.02 +/- 2.98   1.081% *  0.1049% (0.13   0.02   0.02) =   0.010%
          QB    ALA  120 - QG1   VAL   41  14.40 +/- 2.47   0.430% *  0.2345% (0.29   0.02   0.02) =   0.009%
          HG    LEU  115 - QG1   VAL   41  15.42 +/- 1.50   0.327% *  0.2345% (0.29   0.02   0.02) =   0.007%
          QD    LYS+  66 - QD2   LEU  104  15.20 +/- 3.51   1.786% *  0.0388% (0.05   0.02   0.02) =   0.006%
          QB    ALA  120 - QD2   LEU  104  12.04 +/- 3.79   1.279% *  0.0472% (0.06   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QD2   LEU  104  15.57 +/- 1.94   0.353% *  0.1245% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  65 - QD2   LEU  104  16.58 +/- 2.57   0.445% *  0.0960% (0.12   0.02   0.02) =   0.004%
          HG    LEU  115 - QD2   LEU  104  13.91 +/- 1.64   0.554% *  0.0472% (0.06   0.02   0.02) =   0.002%
    Distance limit 2.92 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.851, support = 0.887, residual support = 1.91:
        T HA    ALA   61 - QG2   VAL   18   6.70 +/- 3.72  28.600% * 70.2643% (0.87 10.00   0.92   2.07) =  92.143%  kept
        T HA    ALA   61 - QG1   VAL   41  12.04 +/- 1.96   5.662% * 29.1509% (0.66 10.00   0.50   0.02) =   7.568%  kept
          HD2   PRO   68 - QG2   VAL   18   8.76 +/- 3.29  19.072% *  0.1723% (0.98  1.00   0.02   0.02) =   0.151%  kept
          HD2   PRO   68 - QG1   VAL   41  11.15 +/- 2.00   8.951% *  0.1317% (0.75  1.00   0.02   0.02) =   0.054%
          HA    VAL   24 - QG2   VAL   18  11.30 +/- 1.96  10.423% *  0.0856% (0.49  1.00   0.02   0.02) =   0.041%
          HA    VAL   24 - QG1   VAL   41  11.07 +/- 2.40   7.508% *  0.0654% (0.37  1.00   0.02   0.02) =   0.023%
          HA    ALA   61 - QD2   LEU  104  14.08 +/- 3.31   6.139% *  0.0234% (0.13  1.00   0.02   0.02) =   0.007%
          HD2   PRO   68 - QD2   LEU  104  13.52 +/- 3.96   4.936% *  0.0265% (0.15  1.00   0.02   0.02) =   0.006%
          HD3   PRO   58 - QG2   VAL   18  13.25 +/- 2.92   2.349% *  0.0348% (0.20  1.00   0.02   0.02) =   0.004%
          HA    VAL   24 - QD2   LEU  104  15.91 +/- 3.96   3.022% *  0.0132% (0.07  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - QG1   VAL   41  17.53 +/- 2.18   1.464% *  0.0266% (0.15  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - QD2   LEU  104  17.48 +/- 3.54   1.873% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 14 structures by 2.55 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.25, residual support = 76.0:
      O T HA    VAL   41 - QG1   VAL   41   2.74 +/- 0.37  77.405% * 98.8372% (0.65  10.0 10.00   4.25  76.02) =  99.947%  kept
        T HA    VAL   41 - QG2   VAL   18   8.84 +/- 2.07   4.326% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.043%
          HA    PHE   45 - QG2   VAL   18  10.62 +/- 3.63   2.718% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T HA    VAL   41 - QD2   LEU  104   8.43 +/- 2.69   4.313% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   45 - QG1   VAL   41  12.10 +/- 0.77   1.073% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  13.99 +/- 4.49   1.426% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  14.25 +/- 4.15   0.843% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  12.03 +/- 6.29   7.243% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.19 +/- 1.37   0.654% *  0.0082% (0.05   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.02, residual support = 0.232:
          QD    PHE   60 - QG1   VAL   18   7.78 +/- 3.58  39.840% * 36.4324% (1.00   0.02   0.43) =  52.282%  kept
          HN    LYS+  66 - QG1   VAL   18   7.22 +/- 3.27  42.740% * 25.0257% (0.69   0.02   0.02) =  38.528%  kept
          HN    LYS+  81 - QG1   VAL   18  15.95 +/- 4.19   5.100% * 30.4309% (0.84   0.02   0.02) =   5.590%  kept
          QE    PHE   59 - QG1   VAL   18  11.53 +/- 2.90  12.320% *  8.1111% (0.22   0.02   0.02) =   3.600%  kept
    Distance limit 3.12 A violated in 15 structures by 2.68 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.47, residual support = 76.2:
          HN    VAL   18 - QG1   VAL   18   3.22 +/- 0.36  98.006% * 99.8227% (0.92   5.47  76.22) =  99.996%  kept
          HN    SER   13 - QG1   VAL   18  12.88 +/- 1.74   1.994% *  0.1773% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.311, support = 1.48, residual support = 1.38:
          HN    LYS+  74 - QG1   VAL   18   4.82 +/- 3.72  77.915% * 92.3850% (0.31   1.49   1.39) =  99.299%  kept
          HN    THR   46 - QG1   VAL   18  11.35 +/- 4.43   8.677% *  2.9088% (0.73   0.02   0.02) =   0.348%  kept
          HN    MET   92 - QG1   VAL   18  17.44 +/- 3.69   4.294% *  3.5925% (0.90   0.02   0.02) =   0.213%  kept
          HN    ASP- 113 - QG1   VAL   18  18.89 +/- 2.27   9.113% *  1.1137% (0.28   0.02   0.02) =   0.140%  kept
    Distance limit 3.56 A violated in 5 structures by 1.56 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.82, support = 4.75, residual support = 22.2:
          HN    ILE   19 - QG1   VAL   18   3.13 +/- 0.51  69.127% * 92.5499% (0.84   4.83  22.74) =  97.590%  kept
          HN    LEU   73 - QG1   VAL   18   5.73 +/- 3.19  21.352% *  7.3593% (0.20   1.62   0.94) =   2.397%  kept
          HN    VAL   42 - QG1   VAL   18   7.77 +/- 2.77   9.522% *  0.0908% (0.20   0.02   0.02) =   0.013%
    Distance limit 3.28 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.764, support = 0.698, residual support = 0.291:
          QD    PHE   60 - QG2   VAL   18   7.76 +/- 3.09  18.601% * 42.9106% (0.80   0.81   0.43) =  59.786%  kept
          QD    PHE   60 - QG1   VAL   41  11.28 +/- 2.30   8.439% * 34.9666% (0.61   0.87   0.15) =  22.103%  kept
          HN    LYS+  66 - QG2   VAL   18   6.37 +/- 3.21  26.370% *  6.5189% (0.98   0.10   0.02) =  12.876%  kept
          QE    PHE   59 - QG2   VAL   18  11.39 +/- 2.89   4.830% *  6.3938% (0.57   0.17   0.02) =   2.313%  kept
          QE    PHE   59 - QG1   VAL   41  12.51 +/- 1.86   5.594% *  2.9112% (0.43   0.10   0.02) =   1.220%  kept
          HN    PHE   59 - QG2   VAL   18  11.79 +/- 2.85   3.843% *  2.5143% (0.22   0.17   0.02) =   0.724%  kept
          HN    LYS+  66 - QG1   VAL   41  12.10 +/- 1.66   5.584% *  0.9869% (0.75   0.02   0.02) =   0.413%  kept
          HN    PHE   59 - QG1   VAL   41  15.78 +/- 1.80   2.464% *  1.1448% (0.17   0.10   0.02) =   0.211%  kept
          HN    LYS+  81 - QG2   VAL   18  16.24 +/- 3.56   2.026% *  0.5907% (0.45   0.02   0.02) =   0.090%
          HN    LYS+  81 - QG1   VAL   41  17.99 +/- 3.66   1.932% *  0.4514% (0.34   0.02   0.02) =   0.065%
          HN    LYS+  66 - QD2   LEU  104  14.83 +/- 3.18   4.227% *  0.1984% (0.15   0.02   0.02) =   0.063%
          QE    PHE   59 - QD2   LEU  104  11.41 +/- 2.56   6.984% *  0.1146% (0.09   0.02   0.02) =   0.060%
          QD    PHE   60 - QD2   LEU  104  12.70 +/- 2.38   4.712% *  0.1621% (0.12   0.02   0.02) =   0.057%
          HN    PHE   59 - QD2   LEU  104  15.80 +/- 3.37   3.046% *  0.0451% (0.03   0.02   0.02) =   0.010%
          HN    LYS+  81 - QD2   LEU  104  20.34 +/- 3.69   1.348% *  0.0908% (0.07   0.02   0.02) =   0.009%
    Distance limit 3.17 A violated in 9 structures by 1.97 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.26, residual support = 76.1:
          HN    VAL   18 - QG2   VAL   18   2.59 +/- 0.80  66.182% * 98.1424% (0.61   5.26  76.22) =  99.904%  kept
          HN    VAL   18 - QG1   VAL   41  10.43 +/- 2.53   9.249% *  0.2852% (0.46   0.02   0.02) =   0.041%
          HN    GLU-  29 - QG1   VAL   41  10.00 +/- 2.51   3.275% *  0.3414% (0.55   0.02   0.02) =   0.017%
          HN    GLN   30 - QG1   VAL   41   8.16 +/- 2.57   8.479% *  0.1172% (0.19   0.02   0.02) =   0.015%
          HN    GLU-  29 - QG2   VAL   18  12.33 +/- 1.62   1.540% *  0.4467% (0.73   0.02   0.02) =   0.011%
          HN    GLN   30 - QG2   VAL   18  10.76 +/- 1.41   2.185% *  0.1534% (0.25   0.02   0.02) =   0.005%
          HN    GLU-  29 - QD2   LEU  104  15.83 +/- 3.55   1.834% *  0.0686% (0.11   0.02   0.02) =   0.002%
          HN    GLN   30 - QD2   LEU  104  14.33 +/- 3.57   5.039% *  0.0236% (0.04   0.02   0.02) =   0.002%
          HN    ASP-  86 - QG1   VAL   41  15.81 +/- 3.53   0.585% *  0.1451% (0.24   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG2   VAL   18  17.43 +/- 2.71   0.375% *  0.1899% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - QD2   LEU  104  15.38 +/- 2.82   0.762% *  0.0573% (0.09   0.02   0.02) =   0.001%
          HN    ASP-  86 - QD2   LEU  104  17.08 +/- 3.59   0.493% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.54, residual support = 75.9:
          HN    VAL   41 - QG1   VAL   41   2.39 +/- 0.53  82.551% * 96.5599% (0.14   4.55  76.02) =  99.864%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.31 +/- 0.81   4.580% *  1.9969% (0.01   1.20   0.02) =   0.115%  kept
          HN    LYS+ 106 - QG1   VAL   41  11.99 +/- 2.51   1.212% *  0.6211% (0.20   0.02   0.02) =   0.009%
          HN    VAL   41 - QG2   VAL   18  10.37 +/- 1.52   1.577% *  0.3246% (0.10   0.02   0.02) =   0.006%
          HN    VAL   41 - QD2   LEU  104   6.67 +/- 3.22   9.677% *  0.0228% (0.01   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   VAL   18  16.19 +/- 1.96   0.403% *  0.4747% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.356, support = 5.33, residual support = 85.6:
          HN    VAL   83 - QG1   VAL   83   3.00 +/- 0.50  91.084% * 98.5339% (0.36   5.33  85.64) =  99.954%  kept
          HN    TRP   49 - QG1   VAL   83  13.58 +/- 3.44   3.923% *  0.5087% (0.49   0.02   0.02) =   0.022%
          HN    CYS   50 - QG1   VAL   83  14.42 +/- 3.54   2.019% *  0.7795% (0.75   0.02   0.02) =   0.018%
          HE22  GLN   30 - QG1   VAL   83  13.55 +/- 4.73   2.975% *  0.1778% (0.17   0.02   0.02) =   0.006%
    Distance limit 3.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.468, support = 0.457, residual support = 0.564:
        T QG2   VAL   24 - QG1   VAL   83   8.72 +/- 5.56  33.218% * 62.8466% (0.46 10.00   0.27   0.60) =  71.360%  kept
          QG1   VAL   24 - QG1   VAL   83   8.95 +/- 5.07  25.970% * 25.9573% (0.46  1.00   1.13   0.60) =  23.043%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.11 +/- 1.84  17.486% *  7.5646% (0.75 10.00   0.02   0.02) =   4.521%  kept
        T HG    LEU   63 - QG1   VAL   83  16.07 +/- 2.89   7.925% *  3.2730% (0.33 10.00   0.02   0.02) =   0.887%  kept
          HD3   LYS+ 112 - QG1   VAL   83  18.21 +/- 4.06  15.401% *  0.3585% (0.36  1.00   0.02   0.02) =   0.189%  kept
    Distance limit 3.01 A violated in 14 structures by 3.73 A, kept.
    Not enough total support, support cutoff is 0.68
    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 = 0.527, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  15.02 +/- 1.95  21.171% * 27.9530% (0.14 10.00   0.02   0.02) =  39.324%  kept
          HB3   PHE   97 - HA    ILE   19  17.20 +/- 2.99  15.735% * 19.0666% (0.92  1.00   0.02   0.02) =  19.936%  kept
          HB2   PRO   58 - HA    ILE   19  18.34 +/- 3.21  12.826% * 19.0666% (0.92  1.00   0.02   0.02) =  16.250%  kept
          HB2   GLU- 100 - HA    ILE   19  19.23 +/- 3.55  11.209% * 14.1878% (0.69  1.00   0.02   0.02) =  10.567%  kept
          HB2   GLN  116 - HA    ILE   19  23.09 +/- 3.89   6.369% * 16.5389% (0.80  1.00   0.02   0.02) =   7.000%  kept
          QG    GLU-  79 - HA    ILE   19  13.21 +/- 3.24  32.690% *  3.1869% (0.15  1.00   0.02   0.02) =   6.923%  kept
    Distance limit 3.83 A violated in 20 structures by 7.05 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.04, residual support = 25.5:
      O   HN    ALA   20 - HA    ILE   19   2.29 +/- 0.12  99.417% * 99.9363% (0.73  10.0   5.04  25.52) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  14.94 +/- 3.09   0.501% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  26.41 +/- 3.79   0.082% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 0.979, support = 6.65, residual support = 168.2:
      O   HN    ILE   19 - HA    ILE   19   2.90 +/- 0.04  80.259% * 98.8306% (0.98  10.0   6.66 168.63) =  99.763%  kept
          HN    LEU   73 - HA    ILE   19   6.84 +/- 2.67  16.871% *  1.1083% (0.61   1.0   0.36   5.40) =   0.235%  kept
          HN    VAL   42 - HA    ILE   19  10.40 +/- 2.69   2.870% *  0.0612% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.66 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 = 2.31, residual support = 5.4:
          HA    LEU   73 - HB    ILE   19   4.33 +/- 3.43 100.000% *100.0000% (0.95   2.31   5.40) = 100.000%  kept
    Distance limit 3.88 A violated in 2 structures by 1.10 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.659, support = 5.75, residual support = 162.4:
      O   HN    ILE   19 - HB    ILE   19   2.56 +/- 0.33  77.313% * 85.4394% (0.65  10.0   5.88 168.63) =  96.167%  kept
          HN    LEU   73 - HB    ILE   19   5.27 +/- 2.73  18.249% * 14.3964% (0.97   1.0   2.26   5.40) =   3.825%  kept
          HN    VAL   42 - HB    ILE   19   8.83 +/- 2.93   4.129% *  0.1275% (0.97   1.0   0.02   0.02) =   0.008%
          HN    LYS+ 106 - HB    ILE   19  19.98 +/- 3.06   0.309% *  0.0367% (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 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.88, residual support = 168.4:
      O   HG13  ILE   19 - QG2   ILE   19   2.88 +/- 0.32  61.121% * 98.1968% (0.28  10.0   4.89 168.63) =  99.845%  kept
          QG2   THR   23 - QG2   ILE   19   6.64 +/- 1.50  13.720% *  0.2699% (0.76   1.0   0.02   0.02) =   0.062%
          QB    ALA   34 - QG2   ILE   19   6.80 +/- 1.49   7.521% *  0.3501% (0.99   1.0   0.02   0.02) =   0.044%
          QG2   THR   39 - QG2   ILE   19   7.90 +/- 2.65  10.516% *  0.2142% (0.61   1.0   0.02   0.02) =   0.037%
          HG2   LYS+  74 - QG2   ILE   19   8.04 +/- 1.92   4.758% *  0.0478% (0.14   1.0   0.02   8.40) =   0.004%
          HG3   LYS+  38 - QG2   ILE   19  13.70 +/- 2.26   0.720% *  0.3064% (0.87   1.0   0.02   0.02) =   0.004%
          QG2   ILE   56 - QG2   ILE   19  15.63 +/- 1.64   0.435% *  0.3462% (0.98   1.0   0.02   0.02) =   0.003%
          QB    ALA   91 - QG2   ILE   19  17.13 +/- 2.59   0.381% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QG2   ILE   19  14.15 +/- 2.85   0.828% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.41 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 = 0.943, support = 5.35, residual support = 167.5:
      O   HG12  ILE   19 - QG2   ILE   19   2.83 +/- 0.39  62.278% * 96.8490% (0.95  10.0  1.00   5.38 168.63) =  99.283%  kept
          HG    LEU   73 - QG2   ILE   19   5.20 +/- 2.65  20.190% *  1.9571% (0.53   1.0  1.00   0.73   5.40) =   0.650%  kept
          HB3   LYS+  74 - QG2   ILE   19   6.56 +/- 2.01   7.597% *  0.4042% (0.38   1.0  1.00   0.21   8.40) =   0.051%
        T QB    LEU   98 - QG2   ILE   19  11.28 +/- 2.81   1.809% *  0.1793% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   61 - QG2   ILE   19  10.02 +/- 1.76   2.147% *  0.1004% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   80 - QG2   ILE   19  14.41 +/- 5.28   1.249% *  0.1015% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QG2   ILE   19  10.71 +/- 1.00   1.334% *  0.0918% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   ILE   19  12.07 +/- 1.19   0.953% *  0.0743% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   ILE   19  14.20 +/- 4.09   0.991% *  0.0580% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  19.39 +/- 3.05   0.328% *  0.1004% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   ILE   19  17.50 +/- 4.05   0.771% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   ILE   19  17.59 +/- 2.79   0.353% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.79, support = 4.84, residual support = 165.9:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.02  59.030% * 96.2824% (0.80  10.0   4.89 168.63) =  98.205%  kept
          HG3   GLN   30 - QG2   ILE   19   3.37 +/- 1.64  34.267% *  3.0116% (0.22   1.0   2.25  14.05) =   1.783%  kept
          QB    GLU-  15 - QG2   ILE   19   7.08 +/- 1.45   2.495% *  0.1110% (0.92   1.0   0.02   0.02) =   0.005%
          HB2   GLN   17 - QG2   ILE   19   6.97 +/- 0.75   1.760% *  0.1110% (0.92   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QG2   ILE   19   9.63 +/- 1.32   0.783% *  0.1200% (1.00   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - QG2   ILE   19  12.79 +/- 2.30   0.895% *  0.0681% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG2   ILE   19  13.61 +/- 1.94   0.444% *  0.0873% (0.73   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - QG2   ILE   19  19.06 +/- 3.27   0.253% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  23.17 +/- 3.29   0.073% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 0.646, support = 2.1, residual support = 14.0:
          HG2   GLN   30 - QG2   ILE   19   3.61 +/- 1.50  74.114% * 96.5288% (0.65   2.11  14.05) =  99.741%  kept
          HB3   ASN   28 - QG2   ILE   19   9.45 +/- 1.24  15.271% *  0.5821% (0.41   0.02   0.02) =   0.124%  kept
          QE    LYS+ 121 - QG2   ILE   19  15.78 +/- 3.05   4.474% *  1.4129% (1.00   0.02   0.02) =   0.088%
          HB3   HIS  122 - QG2   ILE   19  16.53 +/- 3.44   1.899% *  1.2283% (0.87   0.02   0.02) =   0.033%
          HB3   ASP-  78 - QG2   ILE   19  14.99 +/- 2.78   4.242% *  0.2480% (0.18   0.02   0.02) =   0.015%
    Distance limit 3.88 A violated in 2 structures by 0.36 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 168.6:
      O   HA    ILE   19 - QG2   ILE   19   2.49 +/- 0.33  96.116% * 99.7522% (0.92  10.0   5.74 168.63) =  99.996%  kept
          HA    GLU-  25 - QG2   ILE   19   9.31 +/- 1.32   3.163% *  0.1081% (1.00   1.0   0.02   0.02) =   0.004%
          HA    CYS   53 - QG2   ILE   19  18.21 +/- 1.75   0.368% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  18.52 +/- 3.63   0.353% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.65, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   2.77 +/- 0.65  98.230% * 97.8903% (0.31   3.65  25.52) =  99.978%  kept
          HN    PHE   45 - QG2   ILE   19  12.94 +/- 2.65   1.436% *  1.2630% (0.73   0.02   0.02) =   0.019%
          HN    ALA  110 - QG2   ILE   19  22.48 +/- 3.38   0.334% *  0.8466% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.656, support = 5.57, residual support = 163.4:
          HN    ILE   19 - QG2   ILE   19   3.49 +/- 0.42  62.028% * 93.1234% (0.65   5.74 168.63) =  96.805%  kept
          HN    LEU   73 - QG2   ILE   19   5.40 +/- 2.47  29.900% *  6.2533% (0.97   0.26   5.40) =   3.134%  kept
          HN    VAL   42 - QG2   ILE   19   8.55 +/- 2.56   7.399% *  0.4839% (0.97   0.02   0.02) =   0.060%
          HN    LYS+ 106 - QG2   ILE   19  17.67 +/- 3.02   0.672% *  0.1394% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.241, support = 0.143, residual support = 1.07:
          QD1   LEU   40 - HG    LEU   71   5.70 +/- 1.19  36.038% * 29.2445% (0.06   0.24   1.87) =  56.613%  kept
          QD2   LEU   67 - HG13  ILE   19  10.14 +/- 2.16  11.747% * 28.7454% (0.69   0.02   0.02) =  18.139%  kept
          QD1   LEU   40 - HG13  ILE   19   8.97 +/- 2.81  19.192% * 17.2041% (0.41   0.02   0.02) =  17.737%  kept
          QD2   LEU   67 - HG    LEU   71   8.40 +/- 2.30  21.563% *  4.1205% (0.10   0.02   0.02) =   4.773%  kept
          QG2   ILE  119 - HG13  ILE   19  16.64 +/- 2.92   2.001% * 11.6352% (0.28   0.02   0.02) =   1.251%  kept
          QD1   ILE  103 - HG13  ILE   19  15.77 +/- 3.46   2.886% *  6.4569% (0.15   0.02   0.02) =   1.001%  kept
          QG2   ILE  119 - HG    LEU   71  15.01 +/- 3.66   4.022% *  1.6678% (0.04   0.02   0.02) =   0.360%  kept
          QD1   ILE  103 - HG    LEU   71  14.44 +/- 2.89   2.551% *  0.9256% (0.02   0.02   0.02) =   0.127%  kept
    Distance limit 3.05 A violated in 14 structures by 1.92 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.645, support = 5.64, residual support = 160.7:
          HN    ILE   19 - HG13  ILE   19   3.11 +/- 0.82  48.605% * 82.1381% (0.65   5.89 168.63) =  95.197%  kept
          HN    LEU   73 - HG13  ILE   19   6.61 +/- 3.31  15.037% *  7.5067% (0.97   0.36   5.40) =   2.692%  kept
          HN    VAL   42 - HG    LEU   71   7.72 +/- 2.61  14.120% *  2.6769% (0.14   0.90   1.16) =   0.901%  kept
          HN    LEU   73 - HG    LEU   71   8.12 +/- 1.20   5.975% *  5.9609% (0.14   2.00   1.01) =   0.849%  kept
          HN    ILE   19 - HG    LEU   71   8.13 +/- 2.63  11.449% *  1.1639% (0.09   0.58   0.64) =   0.318%  kept
          HN    VAL   42 - HG13  ILE   19   9.55 +/- 3.60   4.295% *  0.4163% (0.97   0.02   0.02) =   0.043%
          HN    LYS+ 106 - HG13  ILE   19  20.76 +/- 3.79   0.180% *  0.1199% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  18.35 +/- 4.64   0.339% *  0.0172% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.23, residual support = 14.0:
          HE22  GLN   30 - QG2   ILE   19   3.71 +/- 0.54  87.652% * 97.4618% (0.41   2.23  14.05) =  99.870%  kept
          HD22  ASN   69 - QG2   ILE   19  13.07 +/- 2.04   3.486% *  2.1181% (1.00   0.02   0.02) =   0.086%
          QE    PHE   45 - QG2   ILE   19  11.54 +/- 2.81   8.862% *  0.4201% (0.20   0.02   0.02) =   0.044%
    Distance limit 4.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.03, residual support = 14.0:
          HE21  GLN   30 - QG2   ILE   19   3.67 +/- 0.80  78.254% * 97.4458% (1.00   2.03  14.05) =  99.763%  kept
          HD1   TRP   27 - QG2   ILE   19   8.27 +/- 1.81  19.515% *  0.8336% (0.87   0.02   0.02) =   0.213%  kept
          QD    PHE   59 - QG2   ILE   19  14.21 +/- 1.72   1.738% *  0.8336% (0.87   0.02   0.02) =   0.019%
          HH2   TRP   49 - QG2   ILE   19  20.65 +/- 2.86   0.493% *  0.8871% (0.92   0.02   0.02) =   0.006%
    Distance limit 4.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.08, residual support = 14.0:
          HE22  GLN   30 - QD1   ILE   19   4.34 +/- 0.91  91.387% * 93.5516% (0.25   2.08  14.05) =  99.787%  kept
          HN    TRP   49 - QD1   ILE   19  19.57 +/- 2.89   3.182% *  2.3321% (0.65   0.02   0.02) =   0.087%
          HN    CYS   50 - QD1   ILE   19  19.41 +/- 2.46   2.522% *  2.8866% (0.80   0.02   0.02) =   0.085%
          HN    VAL   83 - QD1   ILE   19  17.41 +/- 3.26   2.910% *  1.2297% (0.34   0.02   0.02) =   0.042%
    Distance limit 4.20 A violated in 1 structures by 0.41 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  17.89 +/- 3.23 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 13.89 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.83, residual support = 25.5:
          HA    ILE   19 - QB    ALA   20   3.92 +/- 0.06  90.188% * 98.7211% (0.92   3.84  25.52) =  99.946%  kept
          HA    GLU-  25 - QB    ALA   20  10.53 +/- 1.54   6.504% *  0.5576% (1.00   0.02   0.02) =   0.041%
          HA    CYS   53 - QB    ALA   20  16.32 +/- 2.79   1.900% *  0.3831% (0.69   0.02   0.02) =   0.008%
          HA    SER   82 - QB    ALA   20  16.92 +/- 3.57   1.408% *  0.3382% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 4.55:
          QE    LYS+  74 - QB    ALA   20   5.71 +/- 2.37  56.173% * 25.4326% (0.90   0.02   6.97) =  65.149%  kept
          HB2   PHE   72 - QB    ALA   20   8.61 +/- 1.31  18.757% * 16.0552% (0.57   0.02   0.02) =  13.733%  kept
          HB3   ASN   69 - QB    ALA   20  14.74 +/- 1.90   9.894% * 27.3678% (0.97   0.02   0.02) =  12.348%  kept
          QB    CYS   50 - QB    ALA   20  13.64 +/- 2.92   5.513% * 26.1780% (0.92   0.02   0.02) =   6.582%  kept
          HB3   ASP-  78 - QB    ALA   20  11.73 +/- 3.41   9.663% *  4.9664% (0.18   0.02   0.02) =   2.188%  kept
    Distance limit 3.66 A violated in 11 structures by 1.78 A, kept.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.838, support = 2.16, residual support = 5.07:
          HD2   HIS   22 - QB    ALA   20   3.79 +/- 0.66  56.079% * 61.7130% (0.92   2.15   5.72) =  78.661%  kept
          HN    THR   23 - QB    ALA   20   5.20 +/- 1.13  25.619% * 36.3885% (0.53   2.23   2.70) =  21.189%  kept
          QE    PHE   95 - QB    ALA   20  12.59 +/- 2.92  11.808% *  0.3025% (0.49   0.02   0.02) =   0.081%
          HN    LEU   67 - QB    ALA   20  11.33 +/- 1.79   3.009% *  0.5573% (0.90   0.02   0.02) =   0.038%
          HD1   TRP   49 - QB    ALA   20  16.51 +/- 3.39   1.622% *  0.6159% (0.99   0.02   0.02) =   0.023%
          HD21  ASN   35 - QB    ALA   20  16.02 +/- 1.19   0.846% *  0.3269% (0.53   0.02   0.02) =   0.006%
          QD    PHE   55 - QB    ALA   20  17.40 +/- 2.95   1.017% *  0.0959% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.84, residual support = 16.3:
          HN    CYS   21 - QB    ALA   20   3.55 +/- 0.12  87.292% * 99.1174% (0.95   3.84  16.31) =  99.961%  kept
          HN    ILE  119 - QB    ALA   20  17.75 +/- 3.92   7.428% *  0.2873% (0.53   0.02   0.02) =   0.025%
          HN    LYS+  33 - QB    ALA   20  11.86 +/- 1.27   2.694% *  0.3312% (0.61   0.02   0.02) =   0.010%
          HN    ILE   89 - QB    ALA   20  16.18 +/- 2.78   1.181% *  0.1685% (0.31   0.02   0.02) =   0.002%
          HN    SER   37 - QB    ALA   20  14.75 +/- 1.58   1.406% *  0.0956% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.93 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   2.12 +/- 0.15  98.961% * 99.6086% (0.31  10.0   3.73  15.22) =  99.998%  kept
          HN    PHE   45 - QB    ALA   20  12.07 +/- 2.73   0.844% *  0.2343% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   20  21.50 +/- 3.39   0.194% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.606, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  10.98 +/- 3.79  20.191% *  9.0526% (0.65   0.02   0.02) =  25.771%  kept
          QB    LYS+  33 - HB2   CYS   21  10.60 +/- 1.76  20.702% *  4.7734% (0.34   0.02   0.02) =  13.933%  kept
          HG12  ILE  103 - HB2   CYS   21  16.31 +/- 4.67   7.837% * 11.2053% (0.80   0.02   0.02) =  12.382%  kept
          HG    LEU  123 - HB2   CYS   21  23.78 +/- 4.77   6.182% * 13.7167% (0.98   0.02   0.02) =  11.955%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.63 +/- 4.95   7.372% *  6.2738% (0.45   0.02   0.02) =   6.521%  kept
          QB    LYS+  66 - HB2   CYS   21  15.02 +/- 2.23   6.330% *  6.2738% (0.45   0.02   0.02) =   5.599%  kept
          HB    ILE  103 - HB2   CYS   21  18.58 +/- 4.83   4.672% *  7.3624% (0.53   0.02   0.02) =   4.850%  kept
          HB3   PRO   52 - HB2   CYS   21  23.28 +/- 2.66   2.199% * 13.7167% (0.98   0.02   0.02) =   4.254%  kept
          HG3   PRO   68 - HB2   CYS   21  18.24 +/- 2.57   3.801% *  7.9226% (0.57   0.02   0.02) =   4.246%  kept
          QB    LYS+  81 - HB2   CYS   21  16.35 +/- 4.01   7.270% *  3.1155% (0.22   0.02   0.02) =   3.193%  kept
          HG2   ARG+  54 - HB2   CYS   21  22.90 +/- 3.48   2.427% *  6.8115% (0.49   0.02   0.02) =   2.331%  kept
          QB    LYS+ 106 - HB2   CYS   21  16.77 +/- 4.09   5.024% *  2.7693% (0.20   0.02   0.02) =   1.962%  kept
          HB3   GLN   90 - HB2   CYS   21  20.25 +/- 3.83   3.384% *  3.8908% (0.28   0.02   0.02) =   1.856%  kept
          HG2   PRO   93 - HB2   CYS   21  20.07 +/- 3.06   2.611% *  3.1155% (0.22   0.02   0.02) =   1.147%  kept
    Distance limit 3.75 A violated in 19 structures by 4.11 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 1.49, residual support = 10.6:
          QD1   LEU   73 - HB2   CYS   21   3.65 +/- 2.30  52.678% * 94.3053% (0.80   1.50  10.66) =  99.268%  kept
          QD1   LEU   63 - HB2   CYS   21  12.86 +/- 3.04  12.378% *  1.2574% (0.80   0.02   0.02) =   0.311%  kept
          QD2   LEU   80 - HB2   CYS   21  11.66 +/- 5.55  12.803% *  0.6456% (0.41   0.02   0.02) =   0.165%  kept
          QD2   LEU   63 - HB2   CYS   21  12.66 +/- 2.59   3.560% *  1.4496% (0.92   0.02   0.02) =   0.103%  kept
          QD1   LEU   80 - HB2   CYS   21  12.05 +/- 5.75  10.700% *  0.3496% (0.22   0.02   0.02) =   0.075%
          QG2   VAL   41 - HB2   CYS   21   9.12 +/- 3.31   3.629% *  0.5894% (0.38   0.02   0.02) =   0.043%
          QD2   LEU   98 - HB2   CYS   21  11.23 +/- 3.53   2.198% *  0.3496% (0.22   0.02   0.02) =   0.015%
          QD2   LEU  115 - HB2   CYS   21  16.48 +/- 3.82   0.731% *  0.7040% (0.45   0.02   0.02) =   0.010%
          QD1   LEU  104 - HB2   CYS   21  14.33 +/- 3.98   1.323% *  0.3496% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.77 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.75, residual support = 29.9:
      O T HA    CYS   21 - HB2   CYS   21   2.61 +/- 0.21  97.966% * 99.6850% (0.92  10.0 10.00   2.75  29.95) =  99.998%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.69 +/- 4.59   1.352% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB2   CYS   21  21.19 +/- 2.79   0.261% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  19.79 +/- 2.31   0.259% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  24.30 +/- 4.30   0.162% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.774, support = 3.26, residual support = 6.67:
          HD2   HIS   22 - HB2   CYS   21   5.80 +/- 0.82  33.467% * 71.2907% (0.92   3.71   8.18) =  62.544%  kept
          HN    THR   23 - HB2   CYS   21   4.62 +/- 1.05  51.948% * 27.4388% (0.53   2.51   4.16) =  37.365%  kept
          QE    PHE   95 - HB2   CYS   21  14.26 +/- 3.50   9.251% *  0.2024% (0.49   0.02   0.02) =   0.049%
          HN    LEU   67 - HB2   CYS   21  14.37 +/- 2.25   2.199% *  0.3730% (0.90   0.02   0.02) =   0.022%
          HD1   TRP   49 - HB2   CYS   21  20.20 +/- 3.26   0.946% *  0.4122% (0.99   0.02   0.02) =   0.010%
          HD21  ASN   35 - HB2   CYS   21  15.95 +/- 2.39   1.473% *  0.2188% (0.53   0.02   0.02) =   0.008%
          QD    PHE   55 - HB2   CYS   21  21.25 +/- 3.69   0.715% *  0.0642% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 29.9:
      O   HN    CYS   21 - HB2   CYS   21   2.83 +/- 0.44  95.343% * 99.8294% (0.95  10.0   3.41  29.95) =  99.998%  kept
          HN    LYS+  33 - HB2   CYS   21  11.32 +/- 1.63   2.164% *  0.0640% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   CYS   21  20.83 +/- 4.84   1.132% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB2   CYS   21  17.10 +/- 3.07   0.627% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.48 +/- 1.69   0.733% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.419, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  11.17 +/- 3.50  19.181% *  9.0526% (0.44   0.02   0.02) =  24.518%  kept
          QB    LYS+  33 - HB3   CYS   21  10.78 +/- 1.97  20.366% *  4.7734% (0.23   0.02   0.02) =  13.727%  kept
          HG12  ILE  103 - HB3   CYS   21  16.25 +/- 4.68   8.516% * 11.2053% (0.55   0.02   0.02) =  13.474%  kept
          HG    LEU  123 - HB3   CYS   21  24.29 +/- 4.99   6.636% * 13.7167% (0.67   0.02   0.02) =  12.853%  kept
          HB3   ASP- 105 - HB3   CYS   21  18.79 +/- 5.06   7.752% *  6.2738% (0.31   0.02   0.02) =   6.867%  kept
          QB    LYS+  66 - HB3   CYS   21  15.65 +/- 2.21   5.938% *  6.2738% (0.31   0.02   0.02) =   5.260%  kept
          HB3   PRO   52 - HB3   CYS   21  23.32 +/- 2.81   2.167% * 13.7167% (0.67   0.02   0.02) =   4.198%  kept
          HG3   PRO   68 - HB3   CYS   21  18.97 +/- 2.51   3.380% *  7.9226% (0.39   0.02   0.02) =   3.781%  kept
          HB    ILE  103 - HB3   CYS   21  18.52 +/- 4.86   3.582% *  7.3624% (0.36   0.02   0.02) =   3.724%  kept
          QB    LYS+  81 - HB3   CYS   21  16.10 +/- 4.03   8.066% *  3.1155% (0.15   0.02   0.02) =   3.548%  kept
          HG2   ARG+  54 - HB3   CYS   21  23.00 +/- 3.60   2.905% *  6.8115% (0.33   0.02   0.02) =   2.794%  kept
          HB3   GLN   90 - HB3   CYS   21  20.03 +/- 3.89   3.890% *  3.8908% (0.19   0.02   0.02) =   2.137%  kept
          QB    LYS+ 106 - HB3   CYS   21  16.77 +/- 4.06   4.753% *  2.7693% (0.14   0.02   0.02) =   1.858%  kept
          HG2   PRO   93 - HB3   CYS   21  20.15 +/- 2.96   2.868% *  3.1155% (0.15   0.02   0.02) =   1.262%  kept
    Distance limit 3.85 A violated in 17 structures by 4.00 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.608, support = 1.94, residual support = 3.48:
          QG2   THR   26 - HB3   CYS   21   4.31 +/- 2.11  48.504% * 73.8531% (0.60   2.18   2.37) =  85.159%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.37 +/- 1.79  25.916% * 23.7073% (0.69   0.61   9.98) =  14.606%  kept
          HG2   LYS+  65 - HB3   CYS   21  13.36 +/- 2.34   3.678% *  0.6268% (0.55   0.02   0.02) =   0.055%
          HB3   LEU   40 - HB3   CYS   21  15.00 +/- 2.81   5.118% *  0.4432% (0.39   0.02   0.02) =   0.054%
          QB    ALA  120 - HB3   CYS   21  20.43 +/- 4.33   8.355% *  0.2670% (0.23   0.02   0.02) =   0.053%
          HD2   LYS+ 121 - HB3   CYS   21  21.12 +/- 4.97   2.660% *  0.5685% (0.50   0.02   0.02) =   0.036%
          HG    LEU  115 - HB3   CYS   21  19.91 +/- 4.00   3.425% *  0.2670% (0.23   0.02   0.02) =   0.022%
          QD    LYS+  66 - HB3   CYS   21  16.62 +/- 2.47   2.344% *  0.2670% (0.23   0.02   0.02) =   0.015%
    Distance limit 4.14 A violated in 3 structures by 0.56 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.548, support = 1.82, residual support = 10.6:
          QD1   LEU   73 - HB3   CYS   21   3.61 +/- 1.84  52.666% * 95.2922% (0.55   1.83  10.66) =  99.416%  kept
          QD1   LEU   63 - HB3   CYS   21  13.28 +/- 3.07  12.235% *  1.0395% (0.55   0.02   0.02) =   0.252%  kept
          QD2   LEU   80 - HB3   CYS   21  11.44 +/- 5.63   9.760% *  0.5337% (0.28   0.02   0.02) =   0.103%  kept
          QD2   LEU   63 - HB3   CYS   21  13.17 +/- 2.56   3.278% *  1.1984% (0.63   0.02   0.02) =   0.078%
          QD1   LEU   80 - HB3   CYS   21  11.79 +/- 5.84   9.225% *  0.2890% (0.15   0.02   0.02) =   0.053%
          QG2   VAL   41 - HB3   CYS   21   9.26 +/- 3.08   4.441% *  0.4872% (0.26   0.02   0.02) =   0.043%
          QD1   LEU  104 - HB3   CYS   21  14.53 +/- 3.98   4.228% *  0.2890% (0.15   0.02   0.02) =   0.024%
          QD2   LEU   98 - HB3   CYS   21  11.20 +/- 3.38   2.969% *  0.2890% (0.15   0.02   0.02) =   0.017%
          QD2   LEU  115 - HB3   CYS   21  16.67 +/- 3.77   1.198% *  0.5820% (0.31   0.02   0.02) =   0.014%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.42, residual support = 29.9:
      O   HN    CYS   21 - HB3   CYS   21   3.17 +/- 0.50  91.945% * 99.8294% (0.65  10.0   3.42  29.95) =  99.996%  kept
          HN    ILE  119 - HB3   CYS   21  21.17 +/- 4.90   3.385% *  0.0555% (0.36   1.0   0.02   0.02) =   0.002%
          HN    LYS+  33 - HB3   CYS   21  11.39 +/- 2.05   2.586% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  16.83 +/- 3.08   1.127% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.78 +/- 1.96   0.956% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.524, support = 0.683, residual support = 1.35:
          HN    TRP   27 - HB3   CYS   21   5.05 +/- 1.92  54.916% * 87.7446% (0.52   0.69   1.37) =  98.491%  kept
          HD1   TRP   87 - HB3   CYS   21  14.57 +/- 3.30   6.574% *  3.0592% (0.63   0.02   0.02) =   0.411%  kept
          HN    THR   39 - HB3   CYS   21  15.27 +/- 2.24   5.805% *  3.1349% (0.65   0.02   0.02) =   0.372%  kept
          HN    LYS+ 102 - HB3   CYS   21  18.80 +/- 4.38   9.634% *  1.2438% (0.26   0.02   0.02) =   0.245%  kept
          HN    ALA   61 - HB3   CYS   21  15.37 +/- 2.44   7.535% *  1.1304% (0.23   0.02   0.02) =   0.174%  kept
          HN    ALA   91 - HB3   CYS   21  19.52 +/- 3.56   4.253% *  1.3624% (0.28   0.02   0.02) =   0.118%  kept
          HN    GLU-  36 - HB3   CYS   21  15.51 +/- 2.01   2.926% *  1.8762% (0.39   0.02   0.02) =   0.112%  kept
          HE3   TRP   87 - HB3   CYS   21  14.53 +/- 3.93   8.357% *  0.4485% (0.09   0.02   0.02) =   0.077%
    Distance limit 4.12 A violated in 7 structures by 1.10 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.537, support = 3.45, residual support = 6.74:
          HD2   HIS   22 - HB3   CYS   21   5.70 +/- 0.85  34.082% * 73.8797% (0.63   4.05   8.18) =  64.295%  kept
          HN    THR   23 - HB3   CYS   21   4.29 +/- 0.99  56.039% * 24.9116% (0.36   2.39   4.16) =  35.647%  kept
          QE    PHE   95 - HB3   CYS   21  14.50 +/- 3.08   4.657% *  0.1926% (0.33   0.02   0.02) =   0.023%
          HN    LEU   67 - HB3   CYS   21  15.08 +/- 2.15   1.951% *  0.3548% (0.62   0.02   0.02) =   0.018%
          HD1   TRP   49 - HB3   CYS   21  20.11 +/- 3.30   0.947% *  0.3921% (0.68   0.02   0.02) =   0.009%
          HD21  ASN   35 - HB3   CYS   21  16.07 +/- 2.79   1.231% *  0.2082% (0.36   0.02   0.02) =   0.007%
          QD    PHE   55 - HB3   CYS   21  21.39 +/- 3.89   1.092% *  0.0610% (0.11   0.02   0.02) =   0.002%
    Distance limit 4.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.76, residual support = 29.9:
      O T HA    CYS   21 - HB3   CYS   21   2.65 +/- 0.28  95.231% * 99.6850% (0.63  10.0 10.00   2.76  29.95) =  99.995%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.61 +/- 4.67   3.991% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   49 - HB3   CYS   21  21.11 +/- 2.91   0.275% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.85 +/- 2.55   0.337% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  24.27 +/- 4.43   0.166% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.713, support = 2.9, residual support = 34.1:
      O   HD2   HIS   22 - HB2   HIS   22   3.77 +/- 0.36  59.347% * 87.2246% (0.74  10.0   2.71  35.25) =  91.800%  kept
          HN    THR   23 - HB2   HIS   22   4.45 +/- 0.15  37.012% * 12.4867% (0.42   1.0   5.02  21.73) =   8.196%  kept
          HD1   TRP   49 - HB2   HIS   22  19.33 +/- 4.38   0.841% *  0.0937% (0.79   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB2   HIS   22  16.82 +/- 2.88   1.157% *  0.0460% (0.39   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   HIS   22  18.50 +/- 2.33   0.613% *  0.0847% (0.72   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.37 +/- 1.97   0.378% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  22.57 +/- 4.28   0.654% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.926, support = 3.35, residual support = 34.9:
      O   HD2   HIS   22 - HB3   HIS   22   3.16 +/- 0.44  65.421% * 94.8139% (0.95  10.0   3.30  35.25) =  97.467%  kept
          HN    THR   23 - HB3   HIS   22   4.22 +/- 0.33  32.568% *  4.9456% (0.18   1.0   5.63  21.73) =   2.531%  kept
          HD1   TRP   49 - HB3   HIS   22  20.31 +/- 4.14   0.555% *  0.0837% (0.84   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   HIS   22  20.71 +/- 2.41   0.250% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  18.76 +/- 2.23   0.409% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.37 +/- 2.98   0.796% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 3.48, residual support = 21.7:
          QG2   THR   23 - HB3   HIS   22   3.70 +/- 0.50  92.395% * 96.1631% (0.34   3.48  21.73) =  99.884%  kept
          QG2   THR   77 - HB3   HIS   22  12.73 +/- 2.44   5.079% *  1.6042% (0.99   0.02   0.02) =   0.092%
          QB    ALA   88 - HB3   HIS   22  18.33 +/- 2.81   1.338% *  1.1753% (0.73   0.02   0.02) =   0.018%
          HG2   LYS+  99 - HB3   HIS   22  22.82 +/- 3.87   0.703% *  0.4500% (0.28   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HB3   HIS   22  23.41 +/- 2.57   0.486% *  0.6074% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.443, support = 2.9, residual support = 10.0:
          HN    ALA   47 - HB    THR   46   3.58 +/- 0.71  79.744% * 65.1810% (0.38   3.20  11.36) =  88.052%  kept
          QD    PHE   95 - HB    THR   46   7.91 +/- 2.02  20.256% * 34.8190% (0.95   0.68   0.24) =  11.948%  kept
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 34.2:
      O   HN    THR   46 - HB    THR   46   3.28 +/- 0.41  86.646% * 99.6646% (0.87  10.0   3.22  34.20) =  99.987%  kept
          HN    LYS+  74 - HB    THR   46  11.13 +/- 3.74   4.161% *  0.1126% (0.98   1.0   0.02   0.02) =   0.005%
          HN    MET   92 - HB    THR   46   9.72 +/- 1.98   5.923% *  0.0789% (0.69   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB    THR   46  14.45 +/- 3.25   3.077% *  0.0604% (0.53   1.0   0.02   0.02) =   0.002%
          HN    MET   11 - HB    THR   46  29.19 +/- 5.23   0.193% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.448, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  11.97 +/- 2.72  26.131% * 12.9434% (0.64  1.00   0.02   0.02) =  29.489%  kept
        T HB2   LEU   63 - HB2   HIS   22  18.65 +/- 3.30  11.237% * 28.3087% (0.14 10.00   0.02   0.02) =  27.736%  kept
          QB    ALA   88 - HB2   HIS   22  17.81 +/- 2.96   9.176% * 16.1643% (0.80  1.00   0.02   0.02) =  12.932%  kept
          HB3   LEU   80 - HB2   HIS   22  13.72 +/- 5.46  25.220% *  4.0306% (0.20  1.00   0.02   0.02) =   8.863%  kept
          HB2   LEU   31 - HB2   HIS   22  15.66 +/- 1.04  11.417% *  6.0667% (0.30  1.00   0.02   0.02) =   6.039%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.01 +/- 3.69   5.516% * 11.7377% (0.58  1.00   0.02   0.02) =   5.645%  kept
          HG2   LYS+ 111 - HB2   HIS   22  27.90 +/- 5.55   7.355% *  7.2470% (0.36  1.00   0.02   0.02) =   4.648%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.89 +/- 2.16   3.947% * 13.5016% (0.67  1.00   0.02   0.02) =   4.646%  kept
    Distance limit 4.01 A violated in 19 structures by 5.62 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 16.3:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.04  98.305% * 99.8294% (0.95  10.0   3.43  16.31) =  99.999%  kept
          HN    ILE  119 - HA    ALA   20  20.26 +/- 4.16   0.649% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ALA   20  13.12 +/- 1.21   0.534% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  18.18 +/- 2.97   0.244% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  16.55 +/- 1.53   0.268% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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   9.90 +/- 3.48 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.26 A violated in 20 structures by 6.63 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   8.49 +/- 4.60  49.188% * 18.5628% (0.57   0.02   0.02) =  47.151%  kept
          HB    VAL  107 - HA    HIS   22  20.42 +/- 3.42  12.593% * 26.5475% (0.82   0.02   0.02) =  17.264%  kept
          QG    GLN   32 - HA    HIS   22  15.95 +/- 1.03  11.997% * 27.4474% (0.85   0.02   0.02) =  17.004%  kept
          HB3   PHE   45 - HA    HIS   22  14.90 +/- 3.12  13.641% * 13.7211% (0.42   0.02   0.02) =   9.666%  kept
          QE    LYS+ 112 - HA    HIS   22  21.02 +/- 4.55  12.581% * 13.7211% (0.42   0.02   0.02) =   8.914%  kept
    Distance limit 3.37 A violated in 14 structures by 4.06 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.407, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   7.56 +/- 1.85  30.990% * 28.4146% (0.26 10.00   0.02   0.02) =  67.827%  kept
          HB    VAL   83 - HA    HIS   22  13.46 +/- 4.71  12.351% *  8.1833% (0.76  1.00   0.02   0.02) =   7.785%  kept
          QD    LYS+ 102 - HA    HIS   22  21.29 +/- 4.80   9.111% *  9.8627% (0.91  1.00   0.02   0.02) =   6.921%  kept
          HB2   LEU  123 - HA    HIS   22  26.38 +/- 5.93   8.009% *  8.1833% (0.76  1.00   0.02   0.02) =   5.048%  kept
          QD    LYS+  65 - HA    HIS   22  13.83 +/- 2.52   7.214% *  7.4210% (0.69  1.00   0.02   0.02) =   4.124%  kept
          HD2   LYS+  74 - HA    HIS   22   9.06 +/- 1.82  19.917% *  1.7898% (0.17  1.00   0.02   0.02) =   2.746%  kept
          HB2   LYS+ 121 - HA    HIS   22  23.73 +/- 4.94   3.280% *  7.0200% (0.65  1.00   0.02   0.02) =   1.773%  kept
          QD    LYS+  38 - HA    HIS   22  21.16 +/- 2.21   1.530% *  9.4340% (0.87  1.00   0.02   0.02) =   1.112%  kept
          HG3   PRO   93 - HA    HIS   22  20.67 +/- 2.01   1.578% *  8.5362% (0.79  1.00   0.02   0.02) =   1.038%  kept
          HD2   LYS+ 111 - HA    HIS   22  27.53 +/- 4.62   1.669% *  5.3768% (0.50  1.00   0.02   0.02) =   0.691%  kept
          HB3   MET   92 - HA    HIS   22  20.28 +/- 3.24   2.015% *  4.2014% (0.39  1.00   0.02   0.02) =   0.652%  kept
          QD    LYS+ 106 - HA    HIS   22  19.30 +/- 2.95   2.337% *  1.5768% (0.15  1.00   0.02   0.02) =   0.284%  kept
    Distance limit 3.53 A violated in 18 structures by 2.91 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.368, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.46 +/- 0.46  80.969% * 67.5049% (0.39   0.02   0.02) =  89.836%  kept
          HN    LEU   40 - HA    HIS   22  18.89 +/- 2.37  19.031% * 32.4951% (0.19   0.02   0.02) =  10.164%  kept
    Distance limit 3.67 A violated in 20 structures by 6.68 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   2.28 +/- 0.13 100.000% *100.0000% (0.64  10.0   5.38  25.78) = 100.000%  kept
    Distance limit 3.23 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 = 5.28, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.90 +/- 0.54 100.000% *100.0000% (0.49   5.28  25.78) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.732, support = 4.52, residual support = 19.5:
          HN    THR   23 - QG2   THR   23   3.07 +/- 0.59  53.805% * 63.2313% (0.73   4.88  19.12) =  84.658%  kept
          HD2   HIS   22 - QG2   THR   23   4.95 +/- 1.02  17.584% * 34.9758% (0.76   2.57  21.73) =  15.304%  kept
          HE3   TRP   27 - QG2   THR   23   8.22 +/- 0.84   3.232% *  0.0794% (0.22   0.02   1.22) =   0.006%
          HN    LEU   67 - QG2   THR   39  10.52 +/- 1.97   2.270% *  0.0787% (0.22   0.02   0.02) =   0.004%
          HN    LEU   67 - QG2   THR   23  16.63 +/- 1.68   0.420% *  0.3536% (0.99   0.02   0.02) =   0.004%
          QE    PHE   95 - QG2   THR   23  15.49 +/- 2.17   0.579% *  0.2451% (0.69   0.02   0.02) =   0.004%
          HD1   TRP   49 - QB    ALA   91  10.10 +/- 2.94   3.643% *  0.0336% (0.09   0.02   0.02) =   0.003%
          QE    PHE   95 - QB    ALA   91   9.02 +/- 1.64   4.554% *  0.0258% (0.07   0.02   0.02) =   0.003%
          HD1   TRP   49 - QG2   THR   23  18.48 +/- 2.94   0.345% *  0.3200% (0.90   0.02   0.02) =   0.003%
          HD21  ASN   35 - QG2   THR   39   9.45 +/- 1.42   2.774% *  0.0271% (0.08   0.02   0.02) =   0.002%
          QE    PHE   95 - QG2   THR   39  13.59 +/- 2.82   1.268% *  0.0546% (0.15   0.02   0.02) =   0.002%
          HD21  ASN   35 - QG2   THR   23  16.01 +/- 1.55   0.504% *  0.1217% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG2   THR   39   9.84 +/- 2.05   3.159% *  0.0177% (0.05   0.02   0.02) =   0.001%
          HD2   HIS   22 - QG2   THR   39  14.78 +/- 3.23   0.893% *  0.0607% (0.17   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  14.39 +/- 2.23   0.760% *  0.0577% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  20.58 +/- 3.33   0.400% *  0.0992% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    ALA   91  12.19 +/- 2.76   1.640% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  17.88 +/- 2.52   0.353% *  0.0372% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  22.86 +/- 1.97   0.166% *  0.0712% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.42 +/- 2.79   0.451% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  18.62 +/- 2.97   0.349% *  0.0272% (0.08   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  19.79 +/- 3.68   0.269% *  0.0287% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  17.21 +/- 2.87   0.444% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  24.80 +/- 2.59   0.141% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.342, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.92 +/- 0.80  95.459% * 91.4876% (0.34   1.83  10.78) =  99.873%  kept
          HG3   MET   96 - HA    VAL   83  13.16 +/- 3.78   3.093% *  2.9252% (1.00   0.02   0.02) =   0.103%  kept
          HB3   ASP-  62 - HA    VAL   83  21.11 +/- 3.14   0.360% *  2.2355% (0.76   0.02   0.02) =   0.009%
          HG2   GLU-  36 - HA    VAL   83  27.40 +/- 6.08   0.265% *  2.7003% (0.92   0.02   0.02) =   0.008%
          HG2   GLU-  29 - HA    VAL   83  21.06 +/- 7.18   0.823% *  0.6513% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.08 A violated in 0 structures by 0.03 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   2.55 +/- 0.56  95.914% * 99.6258% (0.98 10.00   2.25  10.78) =  99.997%  kept
          HB2   ASN   28 - HA    VAL   83  17.84 +/- 7.84   1.224% *  0.0912% (0.90  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    VAL   83  18.13 +/- 4.17   0.853% *  0.0996% (0.98  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    VAL   83  11.92 +/- 1.40   1.423% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  21.14 +/- 5.45   0.341% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  24.82 +/- 6.74   0.246% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 85.6:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.03  98.483% * 99.7575% (0.57  10.0   4.70  85.64) =  99.998%  kept
          HN    CYS   50 - HA    VAL   83  17.74 +/- 3.66   0.607% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  16.62 +/- 3.56   0.910% *  0.0724% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 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   2.83 +/- 0.15  97.286% * 97.0740% (0.95   2.25  10.78) =  99.982%  kept
          HN    GLN   30 - HA    VAL   83  18.39 +/- 6.84   0.922% *  0.8941% (0.98   0.02   0.02) =   0.009%
          HN    GLU-  29 - HA    VAL   83  18.56 +/- 7.29   0.986% *  0.5164% (0.57   0.02   0.02) =   0.005%
          HN    LYS+  99 - HA    VAL   83  19.27 +/- 4.45   0.474% *  0.4090% (0.45   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    VAL   83  23.30 +/- 3.70   0.215% *  0.4799% (0.53   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    VAL   83  27.92 +/- 3.63   0.117% *  0.6266% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.05 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 = 0.718, support = 4.26, residual support = 17.0:
          HD1   TRP   87 - HA    VAL   83   4.07 +/- 0.31  78.662% * 87.2287% (0.73   4.31  17.03) =  98.235%  kept
          HE3   TRP   87 - HA    VAL   83   8.14 +/- 0.55  11.011% * 10.8427% (0.28   1.40  17.03) =   1.709%  kept
          HN    TRP   27 - HA    VAL   83  16.08 +/- 6.70   3.284% *  0.5269% (0.95   0.02   0.56) =   0.025%
          HN    ALA   91 - HA    VAL   83  11.57 +/- 0.99   3.890% *  0.3603% (0.65   0.02   0.02) =   0.020%
          HN    ALA   61 - HA    VAL   83  19.69 +/- 2.90   1.072% *  0.3154% (0.57   0.02   0.02) =   0.005%
          HN    THR   39 - HA    VAL   83  23.73 +/- 4.81   0.574% *  0.4257% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HA    VAL   83  20.65 +/- 5.33   0.962% *  0.1102% (0.20   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   83  24.92 +/- 6.19   0.544% *  0.1900% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 1.81, residual support = 3.28:
          QD1   LEU   73 - HA    VAL   24   4.98 +/- 2.20  31.995% * 64.3188% (0.80   1.94   3.30) =  71.799%  kept
          QD2   LEU   80 - HA    VAL   24  10.71 +/- 7.59  26.083% * 27.3980% (0.41   1.61   3.30) =  24.933%  kept
          QD1   LEU   80 - HA    VAL   24  11.51 +/- 7.53  13.994% *  5.8069% (0.22   0.63   3.30) =   2.835%  kept
          QD2   LEU   63 - HA    VAL   24  15.10 +/- 3.50  10.139% *  0.7638% (0.92   0.02   0.02) =   0.270%  kept
          QD1   LEU  104 - HA    VAL   24  15.20 +/- 4.66   9.686% *  0.1842% (0.22   0.02   0.02) =   0.062%
          QD1   LEU   63 - HA    VAL   24  15.30 +/- 3.42   1.912% *  0.6626% (0.80   0.02   0.02) =   0.044%
          QG2   VAL   41 - HA    VAL   24  10.47 +/- 3.03   2.869% *  0.3105% (0.38   0.02   0.02) =   0.031%
          QD2   LEU   98 - HA    VAL   24  11.45 +/- 3.70   2.875% *  0.1842% (0.22   0.02   0.02) =   0.018%
          QD2   LEU  115 - HA    VAL   24  18.29 +/- 3.17   0.447% *  0.3710% (0.45   0.02   0.02) =   0.006%
    Distance limit 3.11 A violated in 2 structures by 0.41 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.9:
      O T HB    VAL   24 - HA    VAL   24   2.59 +/- 0.32  96.684% * 98.9275% (1.00  10.0 10.00   3.97  64.94) =  99.995%  kept
        T HB2   PRO   68 - HA    VAL   24  21.75 +/- 3.12   0.217% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLN   32 - HA    VAL   24  10.21 +/- 0.65   1.790% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  19.47 +/- 4.39   0.713% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    VAL   24  23.95 +/- 4.02   0.306% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.12 +/- 3.98   0.291% *  0.0153% (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 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 26.1:
        T HB3   TRP   27 - HA    VAL   24   3.33 +/- 0.47  90.482% * 99.7179% (1.00 10.00   3.00  26.13) =  99.993%  kept
          HB2   PHE   97 - HA    VAL   24  17.69 +/- 4.12   3.747% *  0.0991% (0.99  1.00   0.02   0.02) =   0.004%
          QE    LYS+  99 - HA    VAL   24  17.09 +/- 3.93   2.588% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    VAL   24  18.10 +/- 3.81   1.065% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    VAL   24  18.58 +/- 3.28   0.784% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  18.24 +/- 2.87   1.334% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 64.9:
      O   HN    VAL   24 - HA    VAL   24   2.73 +/- 0.06 100.000% *100.0000% (0.97  10.0   4.34  64.94) = 100.000%  kept
    Distance limit 3.49 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 = 0.871, support = 5.75, residual support = 31.6:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.02  53.739% * 84.4791% (0.92  10.0   5.65  34.31) =  86.949%  kept
          HN    ASN   28 - HA    VAL   24   3.88 +/- 0.41  44.139% * 15.4343% (0.53   1.0   6.41  13.88) =  13.048%  kept
          HN    ASP-  44 - HA    VAL   24  12.58 +/- 3.11   2.122% *  0.0866% (0.95   1.0   0.02   0.02) =   0.004%
    Distance limit 3.75 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 = 3.04, residual support = 26.1:
          HN    TRP   27 - HA    VAL   24   3.12 +/- 0.19  89.105% * 94.6700% (0.45   3.04  26.13) =  99.871%  kept
          HN    LYS+ 102 - HA    VAL   24  18.87 +/- 5.27   5.880% *  0.9544% (0.69   0.02   0.02) =   0.066%
          HD1   TRP   87 - HA    VAL   24  14.16 +/- 5.29   2.441% *  1.3771% (0.99   0.02   0.02) =   0.040%
          HN    THR   39 - HA    VAL   24  16.85 +/- 1.44   0.632% *  1.3619% (0.98   0.02   0.02) =   0.010%
          HN    GLU-  36 - HA    VAL   24  16.25 +/- 0.61   0.661% *  1.2052% (0.87   0.02   0.02) =   0.009%
          HN    ALA   61 - HA    VAL   24  17.91 +/- 2.91   0.785% *  0.1880% (0.14   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    VAL   24  19.76 +/- 4.00   0.495% *  0.2433% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.71 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 = 3.24, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  94.778% * 98.9402% (0.98  10.0 10.00   3.24  64.94) =  99.998%  kept
        T QG1   VAL   24 - HB2   PRO   68  20.32 +/- 2.83   0.140% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.90 +/- 0.87   0.573% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.61 +/- 1.59   2.337% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.56 +/- 3.95   0.499% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.83 +/- 3.18   0.200% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.14 +/- 2.61   0.268% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  23.56 +/- 4.99   0.198% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  25.57 +/- 4.59   0.095% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.97 +/- 3.13   0.249% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.86 +/- 4.42   0.130% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.36 +/- 2.52   0.534% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.22, residual support = 64.9:
      O   QG2   VAL   24 - HB    VAL   24   2.11 +/- 0.02  96.194% * 99.6470% (1.00  10.0   3.22  64.94) =  99.998%  kept
          HG    LEU   63 - HB2   PRO   68  10.50 +/- 2.27   1.963% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          HG    LEU   63 - HB    VAL   24  19.80 +/- 4.63   0.989% *  0.0979% (0.98   1.0   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   PRO   68  19.72 +/- 2.91   0.175% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  25.95 +/- 4.16   0.082% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  22.05 +/- 4.28   0.127% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.83 +/- 3.18   0.203% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.14 +/- 2.61   0.267% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.696, support = 1.56, residual support = 2.59:
          QD2   LEU   80 - HB    VAL   24  10.94 +/- 7.08  21.585% * 38.0176% (0.80   1.51   3.30) =  43.289%  kept
          QD1   LEU   73 - HB    VAL   24   6.64 +/- 2.03  23.152% * 25.1199% (0.41   1.94   3.30) =  30.680%  kept
          QG1   VAL   83 - HB    VAL   24  10.34 +/- 5.77  14.268% * 33.6944% (0.87   1.23   0.60) =  25.361%  kept
          QD1   LEU  104 - HB    VAL   24  16.41 +/- 5.08   8.248% *  0.6074% (0.97   0.02   0.02) =   0.264%  kept
          QD1   LEU   63 - HB    VAL   24  16.60 +/- 3.88   7.616% *  0.2588% (0.41   0.02   0.02) =   0.104%  kept
          QD1   LEU  104 - HB2   PRO   68  13.60 +/- 4.59   4.515% *  0.3593% (0.57   0.02   0.02) =   0.086%
          QD1   LEU   63 - HB2   PRO   68   9.58 +/- 2.37   9.176% *  0.1531% (0.24   0.02   0.02) =   0.074%
          QD2   LEU  115 - HB    VAL   24  19.09 +/- 3.83   1.320% *  0.4810% (0.76   0.02   0.02) =   0.034%
          QG1   VAL   83 - HB2   PRO   68  20.05 +/- 3.71   1.455% *  0.3230% (0.51   0.02   0.02) =   0.025%
          QD2   LEU  115 - HB2   PRO   68  15.44 +/- 2.18   1.600% *  0.2845% (0.45   0.02   0.02) =   0.024%
          QG2   ILE   89 - HB    VAL   24  14.09 +/- 3.70   2.661% *  0.1569% (0.25   0.02   0.02) =   0.022%
          QD1   LEU   73 - HB2   PRO   68  14.18 +/- 1.74   2.304% *  0.1531% (0.24   0.02   0.02) =   0.019%
          QD2   LEU   80 - HB2   PRO   68  20.58 +/- 3.43   0.866% *  0.2981% (0.47   0.02   0.02) =   0.014%
          QG2   ILE   89 - HB2   PRO   68  18.68 +/- 2.74   1.235% *  0.0928% (0.15   0.02   0.02) =   0.006%
    Distance limit 3.92 A violated in 5 structures by 0.72 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.869, support = 4.02, residual support = 63.9:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.32  75.048% * 89.0301% (0.90  10.0 10.00   3.97  64.94) =  96.453%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.11  23.876% * 10.2842% (0.10  10.0  1.00   5.47  36.68) =   3.545%  kept
        T HA    VAL   24 - HB2   PRO   68  21.75 +/- 3.12   0.167% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB2   PRO   68  15.47 +/- 2.72   0.547% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.46 +/- 1.90   0.199% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  22.61 +/- 3.27   0.163% *  0.0174% (0.18   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 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 64.9:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.01  96.937% * 98.6521% (0.92  10.0 10.00   3.24  64.94) =  99.997%  kept
        T HB2   PRO   68 - QG1   VAL   24  20.32 +/- 2.83   0.144% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLN   32 - QG1   VAL   24  10.23 +/- 0.70   0.911% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - QG1   VAL   24  18.07 +/- 4.29   0.625% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  20.38 +/- 4.21   0.339% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  20.07 +/- 5.62   0.435% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  16.85 +/- 3.32   0.366% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  20.38 +/- 3.88   0.244% *  0.0330% (0.31   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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.383, support = 5.6, residual support = 31.0:
      O   HN    ASN   69 - HB2   PRO   68   3.62 +/- 0.65  42.193% * 43.5659% (0.20  10.0   5.84  30.95) =  53.072%  kept
          HN    GLU-  25 - HB    VAL   24   3.63 +/- 0.62  41.205% * 33.3687% (0.53   1.0   5.87  34.31) =  39.697%  kept
          HN    ASN   28 - HB    VAL   24   5.67 +/- 0.37  11.055% * 22.6121% (0.92   1.0   2.27  13.88) =   7.217%  kept
          HN    ASP-  44 - HB2   PRO   68  14.50 +/- 3.29   3.390% *  0.0723% (0.33   1.0   0.02   0.02) =   0.007%
          HN    ASP-  44 - HB    VAL   24  13.98 +/- 3.54   1.159% *  0.1222% (0.57   1.0   0.02   0.02) =   0.004%
          HN    ASN   69 - HB    VAL   24  21.86 +/- 3.37   0.512% *  0.0736% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   PRO   68  21.14 +/- 2.76   0.301% *  0.1179% (0.55   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  24.04 +/- 2.75   0.186% *  0.0672% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.52 +/- 0.17  99.830% * 99.9409% (0.38  10.0   4.68  64.94) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.33 +/- 3.16   0.170% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 4.08, residual support = 64.9:
          HN    VAL   24 - QG1   VAL   24   2.00 +/- 0.15 100.000% *100.0000% (0.73   4.08  64.94) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.422, support = 6.03, residual support = 125.1:
      O   HN    GLU-  25 - HB2   GLU-  25   3.05 +/- 0.26  85.275% * 88.8946% (0.41  10.0   6.13 127.52) =  98.036%  kept
          HN    ASN   28 - HB2   GLU-  25   5.70 +/- 0.16  13.912% * 10.9115% (0.98   1.0   1.03   3.76) =   1.963%  kept
          HN    ASP-  44 - HB2   GLU-  25  17.51 +/- 2.96   0.544% *  0.0969% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.93 +/- 1.85   0.268% *  0.0969% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.421, support = 5.79, residual support = 125.4:
      O   HN    GLU-  25 - HB3   GLU-  25   2.25 +/- 0.45  91.960% * 82.4416% (0.41  10.0   5.86 127.52) =  98.286%  kept
          HN    ASN   28 - HB3   GLU-  25   6.00 +/- 0.13   7.603% * 17.3786% (0.98   1.0   1.77   3.76) =   1.713%  kept
          HN    ASP-  44 - HB3   GLU-  25  17.55 +/- 2.98   0.292% *  0.0899% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  23.56 +/- 2.09   0.145% *  0.0899% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.23, residual support = 31.7:
          HN    THR   26 - HB3   GLU-  25   3.44 +/- 0.22  99.079% * 98.7377% (0.34   5.23  31.69) =  99.993%  kept
          HN    LEU   71 - HB3   GLU-  25  19.50 +/- 1.57   0.606% *  0.8466% (0.76   0.02   0.02) =   0.005%
          HN    GLU- 114 - HB3   GLU-  25  30.40 +/- 4.55   0.315% *  0.4158% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.87 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 = 2.93, residual support = 2.84:
          HN    SER   85 - HA    SER   82   3.66 +/- 0.19  77.960% * 86.5173% (0.26   2.96   2.87) =  98.874%  kept
          HN    LEU   80 - HA    SER   82   7.50 +/- 0.38   9.432% *  6.3048% (0.10   0.56   0.38) =   0.872%  kept
          HN    GLN   32 - HA    GLU-  25   9.40 +/- 0.46   4.852% *  2.2559% (1.00   0.02   0.02) =   0.160%  kept
          HN    LEU   80 - HA    GLU-  25  16.98 +/- 6.70   2.740% *  0.6963% (0.31   0.02   0.02) =   0.028%
          HN    SER   85 - HA    GLU-  25  19.88 +/- 7.01   1.055% *  1.8064% (0.80   0.02   0.02) =   0.028%
          HN    ALA   34 - HA    GLU-  25  12.61 +/- 0.53   1.968% *  0.9274% (0.41   0.02   0.02) =   0.027%
          HN    GLN   32 - HA    SER   82  23.76 +/- 7.59   0.617% *  0.7308% (0.32   0.02   0.02) =   0.007%
          HN    ALA   34 - HA    SER   82  25.11 +/- 6.10   0.383% *  0.3004% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    GLU-  25  26.54 +/- 3.04   0.292% *  0.3481% (0.15   0.02   0.02) =   0.001%
          HN    CYS   53 - HA    SER   82  20.20 +/- 3.24   0.700% *  0.1128% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.476, support = 5.56, residual support = 113.3:
      O   HN    GLU-  25 - HA    GLU-  25   2.72 +/- 0.03  72.882% * 72.1003% (0.41  10.0   5.86 127.52) =  88.525%  kept
          HN    ASN   28 - HA    GLU-  25   3.91 +/- 0.16  24.664% * 27.6124% (0.98   1.0   3.21   3.76) =  11.473%  kept
          HN    ASN   28 - HA    SER   82  19.37 +/- 7.93   0.652% *  0.0557% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  16.67 +/- 2.65   0.395% *  0.0786% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  18.53 +/- 8.07   0.794% *  0.0234% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  22.54 +/- 2.33   0.164% *  0.0786% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  16.57 +/- 1.96   0.372% *  0.0255% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  27.09 +/- 2.09   0.078% *  0.0255% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.34, support = 3.93, residual support = 8.0:
          HN    ALA   84 - HA    SER   82   4.17 +/- 0.14  49.656% * 52.9239% (0.20   5.32  10.30) =  64.866%  kept
          HD21  ASN   28 - HA    GLU-  25   4.78 +/- 0.26  33.768% * 42.0031% (0.61   1.37   3.76) =  35.009%  kept
          HZ2   TRP   87 - HA    GLU-  25  15.64 +/- 5.51   2.005% *  0.4163% (0.41   0.02   0.02) =   0.021%
          HN    ALA   84 - HA    GLU-  25  18.48 +/- 6.78   1.357% *  0.6142% (0.61   0.02   0.02) =   0.021%
          HE21  GLN   32 - HA    GLU-  25  10.93 +/- 1.61   3.290% *  0.2254% (0.22   0.02   0.02) =   0.018%
          HN    LEU   63 - HA    GLU-  25  21.82 +/- 3.05   0.730% *  1.0037% (0.99   0.02   0.02) =   0.018%
          HD21  ASN   28 - HA    SER   82  17.91 +/- 8.95   3.604% *  0.1990% (0.20   0.02   0.02) =   0.018%
          HZ2   TRP   87 - HA    SER   82  10.71 +/- 0.80   3.151% *  0.1349% (0.13   0.02   0.02) =   0.010%
          HN    ILE   56 - HA    GLU-  25  27.07 +/- 3.62   0.254% *  0.9579% (0.95   0.02   0.02) =   0.006%
          HN    LYS+ 111 - HA    SER   82  22.11 +/- 4.38   0.745% *  0.1990% (0.20   0.02   0.02) =   0.004%
          HN    ILE   56 - HA    SER   82  22.85 +/- 3.73   0.465% *  0.3103% (0.31   0.02   0.02) =   0.004%
          HN    LEU   63 - HA    SER   82  22.47 +/- 2.12   0.355% *  0.3251% (0.32   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    GLU-  25  29.94 +/- 3.70   0.168% *  0.6142% (0.61   0.02   0.02) =   0.003%
          HE21  GLN   32 - HA    SER   82  27.01 +/- 8.62   0.452% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.964, support = 1.11, residual support = 3.63:
          HB2   ASN   28 - HA    GLU-  25   3.68 +/- 0.43  67.521% * 79.7220% (0.99   1.13   3.76) =  96.528%  kept
          HB2   ASP-  86 - HA    SER   82   6.65 +/- 0.72  14.286% * 12.6620% (0.24   0.75   0.02) =   3.244%  kept
          QE    LYS+  33 - HA    GLU-  25  11.60 +/- 1.69   3.112% *  1.4253% (1.00   0.02   0.02) =   0.080%
          QE    LYS+  65 - HA    GLU-  25  18.16 +/- 3.32   1.710% *  1.3187% (0.92   0.02   0.02) =   0.040%
          HB2   ASP-  86 - HA    GLU-  25  17.66 +/- 7.09   2.015% *  1.0373% (0.73   0.02   0.02) =   0.037%
          HB2   ASP-  78 - HA    GLU-  25  19.19 +/- 4.14   0.990% *  0.8664% (0.61   0.02   0.02) =   0.015%
          HB2   ASP-  78 - HA    SER   82  11.64 +/- 0.91   2.393% *  0.2807% (0.20   0.02   0.02) =   0.012%
          HB2   ASN   28 - HA    SER   82  20.93 +/- 8.32   1.409% *  0.4586% (0.32   0.02   0.02) =   0.012%
          HB2   ASN   35 - HA    GLU-  25  15.92 +/- 1.17   0.912% *  0.5361% (0.38   0.02   0.02) =   0.009%
          HB2   ASP-  76 - HA    GLU-  25  16.38 +/- 3.60   1.489% *  0.2827% (0.20   0.02   0.02) =   0.008%
          QE    LYS+  65 - HA    SER   82  19.71 +/- 4.46   0.739% *  0.4272% (0.30   0.02   0.02) =   0.006%
          QE    LYS+  33 - HA    SER   82  24.25 +/- 5.45   0.441% *  0.4617% (0.32   0.02   0.02) =   0.004%
          HB2   ASP-  76 - HA    SER   82  12.19 +/- 0.79   2.147% *  0.0916% (0.06   0.02   0.02) =   0.004%
          HB2   ASN   69 - HA    GLU-  25  23.54 +/- 2.73   0.386% *  0.1933% (0.14   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    SER   82  28.66 +/- 6.46   0.275% *  0.1737% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  28.79 +/- 2.43   0.175% *  0.0626% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.319, support = 2.78, residual support = 10.2:
          QB    ALA   84 - HA    SER   82   4.35 +/- 0.15  45.008% * 79.0489% (0.32   2.80  10.30) =  99.213%  kept
          HB3   LEU   80 - HA    SER   82   6.17 +/- 1.13  19.873% *  0.2775% (0.16   0.02   0.38) =   0.154%  kept
          QB    ALA   84 - HA    GLU-  25  16.60 +/- 4.95   1.582% *  1.7445% (0.99   0.02   0.02) =   0.077%
          HB2   LEU   31 - HA    GLU-  25   9.43 +/- 0.37   4.451% *  0.6004% (0.34   0.02   0.02) =   0.075%
          HG    LEU   98 - HA    GLU-  25  17.53 +/- 4.17   1.319% *  1.6649% (0.95   0.02   0.02) =   0.061%
          HB3   LEU   73 - HA    GLU-  25  11.55 +/- 2.07   2.879% *  0.7236% (0.41   0.02   0.02) =   0.058%
          HB3   LEU   80 - HA    GLU-  25  17.42 +/- 7.33   2.361% *  0.8567% (0.49   0.02   0.02) =   0.056%
          HB2   LYS+ 112 - HA    SER   82  22.98 +/- 5.62   5.980% *  0.3000% (0.17   0.02   0.02) =   0.050%
          HG3   LYS+  33 - HA    GLU-  25  12.55 +/- 1.27   2.106% *  0.4894% (0.28   0.02   0.02) =   0.029%
          HG    LEU   98 - HA    SER   82  19.32 +/- 4.80   1.606% *  0.5393% (0.31   0.02   0.02) =   0.024%
          HB3   ASP-  44 - HA    GLU-  25  18.97 +/- 2.17   0.635% *  1.2781% (0.73   0.02   0.02) =   0.023%
          HG3   LYS+ 102 - HA    GLU-  25  22.19 +/- 5.83   0.905% *  0.7891% (0.45   0.02   0.02) =   0.020%
          HB2   LEU   63 - HA    GLU-  25  21.90 +/- 3.22   0.651% *  1.0675% (0.61   0.02   0.02) =   0.019%
          HG3   LYS+  65 - HA    GLU-  25  19.73 +/- 3.03   0.949% *  0.6004% (0.34   0.02   0.02) =   0.016%
          HB3   PRO   93 - HA    SER   82  16.92 +/- 2.22   0.964% *  0.5689% (0.32   0.02   0.02) =   0.015%
          HB3   PRO   93 - HA    GLU-  25  24.03 +/- 2.27   0.306% *  1.7561% (1.00   0.02   0.02) =   0.015%
          HG3   LYS+ 106 - HA    GLU-  25  22.07 +/- 3.90   0.452% *  1.1386% (0.65   0.02   0.02) =   0.014%
          HB    VAL   42 - HA    GLU-  25  17.77 +/- 2.42   0.828% *  0.6004% (0.34   0.02   0.02) =   0.014%
          QB    ALA  124 - HA    GLU-  25  26.36 +/- 4.14   0.301% *  1.5267% (0.87   0.02   0.02) =   0.013%
          HB3   ASP-  44 - HA    SER   82  17.46 +/- 1.26   0.753% *  0.4140% (0.24   0.02   0.02) =   0.009%
          HG3   LYS+ 106 - HA    SER   82  19.42 +/- 3.84   0.654% *  0.3688% (0.21   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    SER   82  17.90 +/- 2.83   0.841% *  0.2344% (0.13   0.02   0.02) =   0.005%
          HB2   LEU   31 - HA    SER   82  22.18 +/- 7.87   0.969% *  0.1945% (0.11   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HA    GLU-  25  29.13 +/- 4.13   0.202% *  0.9260% (0.53   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HA    SER   82  23.01 +/- 5.16   0.875% *  0.1585% (0.09   0.02   0.02) =   0.004%
          HB2   LEU   63 - HA    SER   82  22.28 +/- 2.24   0.369% *  0.3458% (0.20   0.02   0.02) =   0.004%
          QB    ALA  124 - HA    SER   82  28.04 +/- 3.84   0.244% *  0.4946% (0.28   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HA    SER   82  23.99 +/- 5.97   0.444% *  0.2556% (0.15   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    SER   82  21.79 +/- 4.39   0.516% *  0.1945% (0.11   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  21.00 +/- 2.41   0.471% *  0.1945% (0.11   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HA    GLU-  25  31.19 +/- 3.84   0.148% *  0.4894% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  26.03 +/- 6.18   0.360% *  0.1585% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 0 structures by 0.60 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.598, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    GLU-  25  20.68 +/- 4.02  11.888% * 22.9376% (0.92   0.02   0.02) =  26.763%  kept
          HB2   LEU  104 - HA    GLU-  25  21.86 +/- 5.05  12.179% * 19.8967% (0.80   0.02   0.02) =  23.782%  kept
          QG2   VAL  108 - HA    SER   82  15.10 +/- 2.89  22.603% *  7.4304% (0.30   0.02   0.02) =  16.484%  kept
          QD1   ILE  119 - HA    GLU-  25  21.63 +/- 3.43   7.932% * 12.0948% (0.49   0.02   0.02) =   9.416%  kept
          HG    LEU   63 - HA    GLU-  25  21.81 +/- 3.65   9.666% *  5.5320% (0.22   0.02   0.02) =   5.248%  kept
          HB2   LEU  104 - HA    SER   82  23.58 +/- 3.47   7.707% *  6.4453% (0.26   0.02   0.02) =   4.875%  kept
          HG3   LYS+ 112 - HA    GLU-  25  29.26 +/- 4.01   2.936% * 15.0711% (0.61   0.02   0.02) =   4.343%  kept
          HG3   LYS+ 112 - HA    SER   82  22.99 +/- 5.93   8.845% *  4.8821% (0.20   0.02   0.02) =   4.238%  kept
          QD1   ILE  119 - HA    SER   82  20.16 +/- 3.49   9.551% *  3.9180% (0.16   0.02   0.02) =   3.673%  kept
          HG    LEU   63 - HA    SER   82  23.00 +/- 2.32   6.692% *  1.7920% (0.07   0.02   0.02) =   1.177%  kept
    Distance limit 3.99 A violated in 20 structures by 7.91 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.279, support = 3.04, residual support = 21.1:
          HB2   GLU-  25 - HA    THR   26   4.05 +/- 0.16  25.176% * 78.9987% (0.31   4.07  31.69) =  65.589%  kept
          HB2   GLU-  29 - HA    THR   26   2.72 +/- 0.55  68.458% * 15.1766% (0.22   1.08   0.84) =  34.263%  kept
          QG    GLN   17 - HA    THR   26  13.04 +/- 2.58   3.758% *  0.5169% (0.41   0.02   0.02) =   0.064%
          HG2   GLU- 100 - HA    THR   26  19.17 +/- 4.14   0.686% *  1.1893% (0.95   0.02   0.02) =   0.027%
          HB3   ASP-  76 - HA    THR   26  15.63 +/- 3.39   0.509% *  1.1275% (0.90   0.02   0.02) =   0.019%
          HB2   ASP- 105 - HA    THR   26  22.78 +/- 4.05   0.509% *  0.8636% (0.69   0.02   0.02) =   0.014%
          HB2   MET   96 - HA    THR   26  17.78 +/- 3.54   0.382% *  1.1275% (0.90   0.02   0.02) =   0.014%
          HB    VAL   70 - HA    THR   26  17.21 +/- 1.62   0.430% *  0.6120% (0.49   0.02   0.02) =   0.009%
          HG3   MET   92 - HA    THR   26  26.35 +/- 2.97   0.092% *  0.3880% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.9, residual support = 34.8:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.02  99.098% * 99.6670% (0.34  10.0   4.90  34.79) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.55 +/- 1.82   0.739% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  29.18 +/- 3.90   0.163% *  0.1097% (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 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.556, support = 1.28, residual support = 3.68:
          HN    GLN   30 - HA    THR   26   4.29 +/- 0.45  25.604% * 80.6826% (0.69   1.49   4.87) =  70.700%  kept
          HN    GLU-  29 - HA    THR   26   3.14 +/- 0.13  59.189% * 14.0720% (0.22   0.80   0.84) =  28.505%  kept
          HN    GLU-  14 - HA    THR   26  15.02 +/- 4.73  14.198% *  1.5492% (0.98   0.02   0.02) =   0.753%  kept
          HN    LYS+  99 - HA    THR   26  18.84 +/- 3.81   0.469% *  1.3201% (0.84   0.02   0.02) =   0.021%
          HN    ASP-  86 - HA    THR   26  20.56 +/- 5.97   0.369% *  0.9586% (0.61   0.02   0.02) =   0.012%
          HE1   HIS  122 - HA    THR   26  23.36 +/- 3.48   0.171% *  1.4174% (0.90   0.02   0.02) =   0.008%
    Distance limit 3.84 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 = 0.461, support = 1.9, residual support = 11.1:
          HN    THR   23 - HB    THR   26   3.93 +/- 0.23  68.619% * 68.0334% (0.38   2.16  12.93) =  85.968%  kept
          HD2   HIS   22 - HB    THR   26   6.41 +/- 1.59  27.773% * 27.2984% (0.99   0.33   0.02) =  13.961%  kept
          HD21  ASN   35 - HB    THR   26  15.44 +/- 1.41   1.271% *  1.1521% (0.69   0.02   0.02) =   0.027%
          HN    LEU   67 - HB    THR   26  18.01 +/- 1.50   0.811% *  1.2817% (0.76   0.02   0.02) =   0.019%
          HD1   TRP   49 - HB    THR   26  23.31 +/- 2.83   0.396% *  1.6623% (0.99   0.02   0.02) =   0.012%
          QE    PHE   95 - HB    THR   26  17.94 +/- 2.42   1.131% *  0.5721% (0.34   0.02   0.02) =   0.012%
    Distance limit 3.73 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   2.95 +/- 0.16  94.728% * 98.0865% (0.84   4.46  22.69) =  99.986%  kept
          HD1   TRP   87 - HB    THR   26  17.63 +/- 4.60   0.776% *  0.4569% (0.87   0.02   0.02) =   0.004%
          HN    THR   39 - HB    THR   26  16.38 +/- 1.52   0.633% *  0.4724% (0.90   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB    THR   26  15.18 +/- 1.00   0.756% *  0.2564% (0.49   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB    THR   26  17.75 +/- 4.34   1.614% *  0.0923% (0.18   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB    THR   26  20.85 +/- 4.89   0.801% *  0.1626% (0.31   0.02   0.02) =   0.001%
          HN    ALA   61 - HB    THR   26  18.78 +/- 2.94   0.455% *  0.2166% (0.41   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  23.16 +/- 3.30   0.237% *  0.2564% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.84 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 = 34.8:
      O   HN    THR   26 - HB    THR   26   2.14 +/- 0.09  99.688% * 99.9615% (0.80  10.0   4.16  34.79) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.42 +/- 1.57   0.312% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.578, support = 0.554, residual support = 1.06:
          HA    ALA   20 - QG2   THR   26   5.74 +/- 1.20  30.764% * 71.5354% (0.87   0.42   0.13) =  58.177%  kept
          HA    CYS   21 - QG2   THR   26   3.93 +/- 1.39  60.337% * 26.0722% (0.18   0.75   2.37) =  41.586%  kept
          HA    LYS+ 102 - QG2   THR   26  16.93 +/- 3.85   2.991% *  1.7798% (0.45   0.02   0.02) =   0.141%  kept
          HA    LEU   71 - QG2   THR   26  10.32 +/- 1.59   5.909% *  0.6125% (0.15   0.02   0.02) =   0.096%
    Distance limit 3.49 A violated in 4 structures by 0.57 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.838, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  10.65 +/- 3.46  31.475% * 18.7520% (0.92   0.02   0.02) =  41.591%  kept
          HG2   MET   11 - QG2   THR   26  14.90 +/- 5.00  18.671% * 19.2160% (0.95   0.02   0.02) =  25.282%  kept
          HG2   PRO   58 - QG2   THR   26  19.62 +/- 3.15   8.357% * 17.6208% (0.87   0.02   0.02) =  10.377%  kept
          HG3   PRO   52 - QG2   THR   26  22.24 +/- 2.47   5.772% * 17.6208% (0.87   0.02   0.02) =   7.167%  kept
          HB2   PRO   93 - QG2   THR   26  18.57 +/- 1.75   7.893% * 12.3210% (0.61   0.02   0.02) =   6.853%  kept
          HB    VAL  108 - QG2   THR   26  20.54 +/- 3.31   8.518% *  5.0653% (0.25   0.02   0.02) =   3.040%  kept
          HB2   ARG+  54 - QG2   THR   26  21.77 +/- 2.97   6.446% *  6.2698% (0.31   0.02   0.02) =   2.848%  kept
          HB2   PRO   68 - QG2   THR   26  16.12 +/- 1.81  12.867% *  3.1343% (0.15   0.02   0.02) =   2.842%  kept
    Distance limit 3.49 A violated in 18 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.748, residual support = 4.85:
        T HG2   GLN   30 - QG2   THR   26   3.05 +/- 0.77  88.083% * 96.7926% (0.99 10.00   0.75   4.87) =  99.646%  kept
          HB3   ASN   28 - QG2   THR   26   7.14 +/- 0.19  10.110% *  2.9770% (0.97  1.00   0.24   0.41) =   0.352%  kept
          QE    LYS+ 121 - QG2   THR   26  17.66 +/- 2.85   0.822% *  0.1580% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   HIS  122 - QG2   THR   26  18.85 +/- 3.55   0.985% *  0.0724% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.919, support = 3.59, residual support = 18.5:
          QD1   LEU   73 - HB3   TRP   27   2.99 +/- 2.46  39.590% * 52.6609% (1.00   3.92  25.20) =  65.931%  kept
          QD2   LEU   80 - HB3   TRP   27  10.90 +/- 7.76  26.510% * 34.8269% (0.80   3.24   6.29) =  29.197%  kept
          QD1   LEU  104 - HB3   TRP   27  13.26 +/- 4.73  14.688% *  9.8459% (0.57   1.29   0.73) =   4.573%  kept
          QG1   VAL   83 - HB3   TRP   27  10.57 +/- 5.69   3.061% *  2.0212% (0.18   0.86   0.56) =   0.196%  kept
          QD1   LEU   63 - HB3   TRP   27  13.27 +/- 3.36   6.628% *  0.2686% (1.00   0.02   0.02) =   0.056%
          QD2   LEU   63 - HB3   TRP   27  13.08 +/- 3.09   9.355% *  0.1521% (0.57   0.02   0.02) =   0.045%
          QD2   LEU  115 - HB3   TRP   27  16.85 +/- 2.63   0.169% *  0.2244% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 1 structures by 0.44 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 26.1:
        T HA    VAL   24 - HB3   TRP   27   3.33 +/- 0.47  92.126% * 98.5200% (0.76 10.00   3.00  26.13) =  99.972%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.14 +/- 1.73   1.463% *  1.2636% (0.98 10.00   0.02   0.02) =   0.020%
        T HA    GLU- 100 - HB3   TRP   27  16.08 +/- 4.12   3.348% *  0.1989% (0.15 10.00   0.02   0.02) =   0.007%
          HA    VAL   83 - HB3   TRP   27  14.60 +/- 6.47   3.063% *  0.0174% (0.14  1.00   0.02   0.56) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 26.1:
          HA    VAL   24 - HB2   TRP   27   2.03 +/- 0.20  99.271% * 99.1878% (0.97   3.00  26.13) =  99.998%  kept
          HA    LYS+  38 - HB2   TRP   27  15.89 +/- 1.36   0.262% *  0.5487% (0.80   0.02   0.02) =   0.001%
          HA    ALA   61 - HB2   TRP   27  15.52 +/- 2.36   0.317% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  19.35 +/- 2.31   0.150% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.917, support = 3.48, residual support = 16.4:
          QD1   LEU   73 - HB2   TRP   27   3.99 +/- 2.37  38.255% * 41.8594% (0.90   3.94  25.20) =  55.719%  kept
          QD2   LEU   80 - HB2   TRP   27  11.04 +/- 7.67  28.510% * 36.9248% (0.98   3.18   6.29) =  36.630%  kept
          QD1   LEU  104 - HB2   TRP   27  14.15 +/- 4.63  11.259% * 16.3945% (0.84   1.66   0.73) =   6.423%  kept
          QG1   VAL   83 - HB2   TRP   27  10.49 +/- 5.98   7.873% *  4.3011% (0.38   0.97   0.56) =   1.178%  kept
          QD2   LEU   63 - HB2   TRP   27  14.20 +/- 3.24  11.078% *  0.0731% (0.31   0.02   0.02) =   0.028%
          QD1   LEU   63 - HB2   TRP   27  14.44 +/- 3.31   2.714% *  0.2124% (0.90   0.02   0.02) =   0.020%
          QD2   LEU  115 - HB2   TRP   27  17.83 +/- 2.88   0.312% *  0.2347% (0.99   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 1 structures by 0.46 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.11, residual support = 19.2:
          QD1   LEU   31 - HA    ASN   28   3.46 +/- 0.71 100.000% *100.0000% (0.76   3.11  19.19) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.23, residual support = 92.4:
      O T HA    GLU-  29 - HG3   GLU-  29   3.57 +/- 0.34  85.823% * 97.0747% (0.22  10.0 10.00   5.23  92.49) =  99.859%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.43 +/- 1.30   6.735% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.120%  kept
          HB2   SER   37 - HG3   GLU-  29  14.90 +/- 2.03   1.663% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.008%
          HA1   GLY   16 - HG3   GLU-  29  16.90 +/- 3.53   1.478% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   70 - HG3   GLU-  29  17.90 +/- 2.32   0.905% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   18 - HG3   GLU-  29  14.14 +/- 2.03   2.120% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HG3   GLU-  29  27.85 +/- 3.73   0.263% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   GLU-  29  22.45 +/- 8.60   1.012% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 106.9:
      O   HD1   TRP   27 - HB2   TRP   27   2.67 +/- 0.08  87.202% * 99.7286% (0.98  10.0   3.65 106.93) =  99.986%  kept
          HE21  GLN   30 - HB2   TRP   27   7.25 +/- 2.25  12.156% *  0.0939% (0.92   1.0   0.02   0.02) =   0.013%
          QD    PHE   59 - HB2   TRP   27  17.77 +/- 2.29   0.485% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  23.29 +/- 2.81   0.156% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.38, residual support = 106.9:
      O   HN    TRP   27 - HB2   TRP   27   2.11 +/- 0.12  95.782% * 99.5184% (0.76  10.0   5.38 106.93) =  99.997%  kept
          HD1   TRP   87 - HB2   TRP   27  14.17 +/- 5.16   0.796% *  0.1202% (0.92   1.0   0.02   5.61) =   0.001%
          HN    LYS+ 102 - HB2   TRP   27  17.88 +/- 4.88   1.035% *  0.0489% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   TRP   27  15.13 +/- 1.41   0.283% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  14.14 +/- 4.30   1.422% *  0.0176% (0.14   1.0   0.02   5.61) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.60 +/- 0.64   0.301% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.23 +/- 2.42   0.222% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  19.80 +/- 3.60   0.158% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.91, support = 5.24, residual support = 46.9:
          HN    ASN   28 - HB2   TRP   27   2.98 +/- 0.27  76.767% * 93.2982% (0.92   5.29  47.75) =  98.264%  kept
          HN    GLU-  25 - HB2   TRP   27   4.72 +/- 0.28  19.929% *  6.3290% (0.15   2.15   0.58) =   1.731%  kept
          HN    ASN   69 - HB2   TRP   27  18.42 +/- 2.50   0.655% *  0.3059% (0.80   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   TRP   27  11.75 +/- 2.97   2.649% *  0.0669% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.56 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 = 0.772, support = 4.42, residual support = 103.2:
      O   HE3   TRP   27 - HB3   TRP   27   2.69 +/- 0.19  75.208% * 86.5449% (0.76  10.0   4.50 106.93) =  96.444%  kept
          HN    THR   23 - HB3   TRP   27   4.82 +/- 0.80  18.287% * 13.1067% (0.98   1.0   2.36   1.22) =   3.551%  kept
          HD2   HIS   22 - HB3   TRP   27   8.29 +/- 1.39   4.277% *  0.0252% (0.22   1.0   0.02   0.02) =   0.002%
          QE    PHE   95 - HB3   TRP   27  14.42 +/- 2.21   0.695% *  0.1122% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  21.76 +/- 3.60   0.698% *  0.0946% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  15.61 +/- 2.32   0.625% *  0.0778% (0.69   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   TRP   27  20.63 +/- 2.74   0.209% *  0.0386% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.08, residual support = 106.9:
      O   HD1   TRP   27 - HB3   TRP   27   3.75 +/- 0.10  62.192% * 99.7286% (0.98  10.0   4.08 106.93) =  99.943%  kept
          HE21  GLN   30 - HB3   TRP   27   6.15 +/- 2.33  36.240% *  0.0939% (0.92   1.0   0.02   0.02) =   0.055%
          QD    PHE   59 - HB3   TRP   27  16.67 +/- 2.00   1.218% *  0.0997% (0.98   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB3   TRP   27  22.53 +/- 2.70   0.351% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 106.9:
      O   HN    TRP   27 - HB3   TRP   27   2.97 +/- 0.23  88.086% * 99.5184% (0.76  10.0   5.64 106.93) =  99.992%  kept
          HD1   TRP   87 - HB3   TRP   27  13.91 +/- 4.86   1.743% *  0.1202% (0.92   1.0   0.02   5.61) =   0.002%
          HN    LYS+ 102 - HB3   TRP   27  17.26 +/- 4.57   3.278% *  0.0489% (0.38   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB3   TRP   27  14.19 +/- 1.75   1.107% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  14.11 +/- 0.84   0.933% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   TRP   27  13.83 +/- 3.91   3.653% *  0.0176% (0.14   1.0   0.02   5.61) =   0.001%
          HN    ALA   61 - HB3   TRP   27  15.97 +/- 2.19   0.803% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  19.15 +/- 3.39   0.397% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.76, residual support = 47.7:
          HN    ASN   28 - HB3   TRP   27   4.10 +/- 0.10  97.325% * 99.4708% (0.65   5.76  47.75) =  99.985%  kept
          HN    ASN   69 - HB3   TRP   27  17.01 +/- 2.52   2.675% *  0.5292% (0.99   0.02   0.02) =   0.015%
    Distance limit 3.80 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 4.29, residual support = 19.2:
          HN    LEU   31 - HA    ASN   28   3.42 +/- 0.11  94.965% * 95.9057% (0.22   4.29  19.19) =  99.942%  kept
          HN    LYS+  38 - HA    ASN   28  12.79 +/- 0.79   1.883% *  1.9674% (0.98   0.02   0.02) =   0.041%
          HN    SER   37 - HA    ASN   28  12.46 +/- 0.56   2.013% *  0.3515% (0.18   0.02   0.02) =   0.008%
          HN    ARG+  54 - HA    ASN   28  25.89 +/- 3.54   0.405% *  1.2174% (0.61   0.02   0.02) =   0.005%
          HN    ASP-  62 - HA    ASN   28  19.66 +/- 2.35   0.734% *  0.5581% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.08 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 = 0.186, support = 6.68, residual support = 18.2:
          HN    GLN   30 - HA    ASN   28   3.89 +/- 0.11  81.980% * 79.4434% (0.18   6.81  18.64) =  97.890%  kept
          HN    GLU-  14 - HA    ASN   28  16.78 +/- 4.06   7.457% * 17.8754% (0.73   0.37   0.02) =   2.004%  kept
          HN    LYS+  99 - HA    ASN   28  14.73 +/- 4.08   3.633% *  1.2294% (0.92   0.02   0.02) =   0.067%
          HN    ASN   35 - HA    ASN   28   9.29 +/- 0.63   6.287% *  0.2965% (0.22   0.02   0.02) =   0.028%
          HE1   HIS  122 - HA    ASN   28  21.30 +/- 3.52   0.643% *  1.1552% (0.87   0.02   0.02) =   0.011%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.31, residual support = 94.8:
      O   HN    ASN   28 - HB2   ASN   28   2.52 +/- 0.16  98.537% * 99.7686% (0.65  10.0   6.31  94.76) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   28  20.73 +/- 2.47   0.227% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.09 +/- 1.10   0.789% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.22 +/- 3.18   0.446% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 3.54, residual support = 94.8:
      O   HD22  ASN   28 - HB3   ASN   28   3.30 +/- 0.10  98.805% * 99.9746% (0.98  10.0   3.54  94.76) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.95 +/- 1.40   1.195% *  0.0254% (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 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 3.49, residual support = 94.6:
      O   HD21  ASN   28 - HB3   ASN   28   4.01 +/- 0.05  89.215% * 98.4565% (0.87  10.0   3.50  94.76) =  99.867%  kept
          HZ2   TRP   87 - HB3   ASN   28  14.89 +/- 6.87   8.161% *  1.4174% (0.98   1.0   0.25   0.02) =   0.132%  kept
          QE    PHE   60 - HB3   ASN   28  18.32 +/- 3.52   1.227% *  0.0780% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   ASN   28  21.28 +/- 2.55   0.943% *  0.0283% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  27.18 +/- 3.36   0.454% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.617, support = 5.35, residual support = 27.2:
          HN    GLU-  29 - HB3   ASN   28   3.50 +/- 0.16  64.877% * 35.6482% (0.45   5.79  32.31) =  64.186%  kept
          HN    GLN   30 - HB3   ASN   28   5.12 +/- 0.11  20.799% * 59.7060% (0.92   4.71  18.64) =  34.464%  kept
          HN    GLU-  14 - HB3   ASN   28  17.70 +/- 4.81  11.818% *  4.0746% (0.80   0.37   0.02) =   1.336%  kept
          HN    ASP-  86 - HB3   ASN   28  19.17 +/- 7.69   1.172% *  0.2382% (0.87   0.02   0.02) =   0.008%
          HN    LYS+  99 - HB3   ASN   28  16.52 +/- 4.19   1.059% *  0.1554% (0.57   0.02   0.02) =   0.005%
          HE1   HIS  122 - HB3   ASN   28  23.44 +/- 3.61   0.275% *  0.1776% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.88 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 = 6.03, residual support = 94.8:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.01  87.888% * 99.8777% (0.92  10.0   6.03  94.76) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   7.30 +/- 0.37  10.355% *  0.0167% (0.15   1.0   0.02   3.76) =   0.002%
          HN    ASN   69 - HB3   ASN   28  20.71 +/- 2.63   0.621% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.98 +/- 2.17   1.135% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.376, support = 4.58, residual support = 18.6:
          HN    GLN   30 - HB2   ASN   28   4.59 +/- 0.16  64.383% * 95.1677% (0.38   4.59  18.64) =  99.620%  kept
          HN    GLU-  14 - HB2   ASN   28  17.26 +/- 4.66  14.613% *  1.0441% (0.95   0.02   0.02) =   0.248%  kept
          HN    LYS+  99 - HB2   ASN   28  17.21 +/- 4.17   2.571% *  1.1013% (1.00   0.02   0.02) =   0.046%
          HN    LYS+  99 - HB2   ASN   35  14.36 +/- 5.50   5.405% *  0.3426% (0.31   0.02   0.02) =   0.030%
          HN    GLU-  14 - HB2   ASN   35  15.64 +/- 3.43   3.101% *  0.3248% (0.29   0.02   0.02) =   0.016%
          HN    GLN   30 - HB2   ASN   35  10.53 +/- 0.92   5.933% *  0.1289% (0.12   0.02   0.02) =   0.012%
          HN    ASP-  86 - HB2   ASN   28  19.22 +/- 7.09   2.019% *  0.3407% (0.31   0.02   0.02) =   0.011%
          HE1   HIS  122 - HB2   ASN   28  23.62 +/- 3.56   0.599% *  1.1013% (1.00   0.02   0.02) =   0.011%
          HE1   HIS  122 - HB2   ASN   35  21.39 +/- 3.58   0.818% *  0.3426% (0.31   0.02   0.02) =   0.005%
          HN    ASP-  86 - HB2   ASN   35  25.61 +/- 6.01   0.556% *  0.1060% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 3 structures by 1.27 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 94.7:
      O   HD21  ASN   28 - HB2   ASN   28   3.98 +/- 0.05  88.269% * 98.0838% (0.61  10.0   3.88  94.76) =  99.895%  kept
          HZ2   TRP   87 - HB2   ASN   28  15.01 +/- 6.17   5.294% *  1.6497% (0.80   1.0   0.25   0.02) =   0.101%  kept
          QE    PHE   60 - HB2   ASN   28  18.14 +/- 3.60   1.233% *  0.1493% (0.92   1.0   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB2   ASN   35  20.06 +/- 7.03   1.862% *  0.0403% (0.25   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  14.11 +/- 1.45   2.251% *  0.0305% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  19.80 +/- 3.38   1.090% *  0.0464% (0.29   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.487, support = 6.43, residual support = 26.3:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.02  60.678% * 96.9373% (0.49  10.0   6.46  26.47) =  99.536%  kept
          HN    GLU-  14 - HA    GLU-  29  14.87 +/- 4.51  12.980% *  1.6352% (0.99   1.0   0.17   0.02) =   0.359%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.23   8.914% *  0.5962% (0.11   1.0   0.55   1.80) =   0.090%
          HN    GLU-  14 - HA    LYS+  33  12.59 +/- 3.05   3.265% *  0.0541% (0.27   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    GLU-  29  16.98 +/- 3.96   0.900% *  0.1922% (0.96   1.0   0.02   0.02) =   0.003%
          HN    GLN   30 - HA    LYS+  33   7.55 +/- 0.55   6.359% *  0.0266% (0.13   1.0   0.02   0.28) =   0.003%
          HN    LYS+  99 - HA    GLN   32  14.58 +/- 4.85   2.282% *  0.0430% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    GLN   32  15.54 +/- 3.64   1.451% *  0.0442% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  15.79 +/- 4.21   1.065% *  0.0527% (0.26   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLU-  29  23.07 +/- 3.45   0.249% *  0.1974% (0.99   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.90 +/- 6.53   0.468% *  0.0819% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  21.30 +/- 4.06   0.350% *  0.0541% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  21.56 +/- 3.62   0.347% *  0.0442% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  22.91 +/- 6.97   0.447% *  0.0183% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  25.08 +/- 5.56   0.246% *  0.0225% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.516, support = 5.68, residual support = 78.1:
      O   HN    GLU-  29 - HB2   GLU-  29   2.36 +/- 0.32  66.335% * 57.6950% (0.41  10.0   5.43  92.49) =  78.183%  kept
          HN    GLN   30 - HB2   GLU-  29   3.37 +/- 0.31  25.633% * 41.5203% (0.90   1.0   6.60  26.47) =  21.741%  kept
          HN    GLU-  14 - HB2   GLU-  29  14.36 +/- 4.75   7.527% *  0.4859% (0.84   1.0   0.08   0.02) =   0.075%
          HN    LYS+  99 - HB2   GLU-  29  18.26 +/- 3.74   0.274% *  0.0851% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  21.64 +/- 6.09   0.135% *  0.1172% (0.84   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  23.30 +/- 3.59   0.097% *  0.0964% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.542, support = 5.0, residual support = 74.5:
      O   HN    GLU-  29 - HB3   GLU-  29   3.44 +/- 0.22  47.582% * 62.9536% (0.41  10.0   4.93  92.49) =  72.908%  kept
          HN    GLN   30 - HB3   GLU-  29   4.00 +/- 0.30  30.809% * 35.8552% (0.90   1.0   5.22  26.47) =  26.887%  kept
          HN    GLU-  14 - HB3   GLU-  29  13.97 +/- 4.71  12.121% *  0.6625% (0.84   1.0   0.10   0.02) =   0.195%  kept
          HN    GLU-  14 - QB    GLU-  36  11.37 +/- 2.79   2.955% *  0.0396% (0.26   1.0   0.02   0.02) =   0.003%
          HN    GLN   30 - QB    GLU-  36   9.77 +/- 0.90   2.343% *  0.0425% (0.28   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLU-  29  18.30 +/- 3.84   0.508% *  0.0929% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  22.80 +/- 6.01   0.274% *  0.1279% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  11.09 +/- 1.13   1.634% *  0.0195% (0.13   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  14.70 +/- 4.19   1.044% *  0.0288% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  29  23.56 +/- 3.67   0.173% *  0.1052% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  19.32 +/- 4.07   0.375% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  24.45 +/- 4.58   0.181% *  0.0396% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.934, support = 4.39, residual support = 92.1:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.75 +/- 0.22  38.438% * 95.1378% (0.99  10.0 10.00   4.40  92.49) =  93.935%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.36 +/- 0.15  58.561% *  4.0244% (0.04  10.0 10.00   4.28  86.35) =   6.054%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.57 +/- 1.86   0.996% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   GLU-  36 - HB3   GLU-  29  10.92 +/- 2.14   0.785% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HB3   GLU-  29  21.56 +/- 6.42   0.142% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  22.95 +/- 3.20   0.093% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  22.07 +/- 2.38   0.079% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.44 +/- 3.86   0.144% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  26.48 +/- 4.18   0.054% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  23.06 +/- 5.34   0.097% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  21.07 +/- 3.23   0.130% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  24.66 +/- 4.48   0.102% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  18.46 +/- 2.93   0.162% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.52 +/- 1.89   0.074% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.65 +/- 2.47   0.056% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.49 +/- 3.05   0.087% *  0.0059% (0.06   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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 0.284, residual support = 0.284:
          QD    LYS+  33 - HA    GLN   30   3.59 +/- 0.67  95.761% * 81.4068% (0.95   0.28   0.28) =  99.812%  kept
          HB3   LEU  123 - HA    GLN   30  25.40 +/- 4.26   0.891% *  5.7190% (0.95   0.02   0.02) =   0.065%
          HD2   LYS+  74 - HA    GLN   30  13.73 +/- 2.08   2.042% *  2.2690% (0.38   0.02   0.02) =   0.059%
          QB    ALA   57 - HA    GLN   30  19.56 +/- 3.53   0.850% *  4.1529% (0.69   0.02   0.02) =   0.045%
          HD3   LYS+ 111 - HA    GLN   30  31.02 +/- 3.29   0.202% *  4.3901% (0.73   0.02   0.02) =   0.011%
          HG3   ARG+  54 - HA    GLN   30  27.92 +/- 3.92   0.253% *  2.0622% (0.34   0.02   0.02) =   0.007%
    Distance limit 3.82 A violated in 0 structures by 0.14 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.435, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   8.74 +/- 2.50  56.944% *  8.2693% (0.15   0.02   0.02) =  33.088%  kept
          QD2   LEU  123 - HA    GLN   30  21.33 +/- 3.46   8.215% * 48.0646% (0.90   0.02   0.02) =  27.746%  kept
          HB3   LEU  104 - HA    GLN   30  17.99 +/- 4.58  17.290% * 22.0331% (0.41   0.02   0.02) =  26.769%  kept
          QD1   LEU  123 - HA    GLN   30  19.76 +/- 3.12  11.407% *  8.2693% (0.15   0.02   0.02) =   6.628%  kept
          HG3   LYS+ 121 - HA    GLN   30  21.98 +/- 4.53   6.143% * 13.3638% (0.25   0.02   0.02) =   5.769%  kept
    Distance limit 4.03 A violated in 17 structures by 4.11 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 6.36, residual support = 156.2:
      O   HN    GLN   30 - HA    GLN   30   2.82 +/- 0.01  82.320% * 88.2822% (0.98  10.0   6.40 159.02) =  97.887%  kept
          HN    GLU-  29 - HA    GLN   30   5.13 +/- 0.10  13.640% * 11.4830% (0.57   1.0   4.50  26.47) =   2.110%  kept
          HN    GLU-  14 - HA    GLN   30  12.33 +/- 3.15   2.355% *  0.0619% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   30  15.25 +/- 3.73   1.082% *  0.0404% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   30  21.40 +/- 5.27   0.289% *  0.0852% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  19.74 +/- 3.68   0.314% *  0.0474% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.973, support = 6.34, residual support = 156.6:
      O   HN    GLN   30 - HB2   GLN   30   3.08 +/- 0.59  79.217% * 89.5946% (0.98  10.0   6.39 159.02) =  98.153%  kept
          HN    GLU-  29 - HB2   GLN   30   5.62 +/- 0.73  13.099% * 10.1671% (0.57   1.0   3.93  26.47) =   1.842%  kept
          HN    LYS+  99 - HB2   GLN   30  14.08 +/- 3.75   4.479% *  0.0410% (0.45   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HB2   GLN   30  13.25 +/- 2.67   1.958% *  0.0628% (0.69   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB2   GLN   30  19.41 +/- 5.24   0.587% *  0.0865% (0.95   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLN   30  18.36 +/- 3.70   0.660% *  0.0481% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.643, support = 6.88, residual support = 157.9:
      O   HN    GLN   30 - HB3   GLN   30   2.44 +/- 0.43  85.567% * 93.1522% (0.65  10.0   6.90 159.02) =  99.148%  kept
          HN    GLU-  29 - HB3   GLN   30   4.91 +/- 0.51  10.688% *  6.3657% (0.20   1.0   4.47  26.47) =   0.846%  kept
          HN    LYS+  99 - HB3   GLN   30  14.22 +/- 3.67   1.834% *  0.1249% (0.87   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HB3   GLN   30  13.65 +/- 2.69   1.200% *  0.1427% (0.99   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB3   GLN   30  18.85 +/- 3.39   0.318% *  0.1329% (0.92   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  18.90 +/- 5.25   0.394% *  0.0815% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.627, support = 7.27, residual support = 153.2:
          HN    GLN   30 - HG2   GLN   30   3.28 +/- 0.60  76.106% * 82.3778% (0.65   7.38 159.02) =  95.636%  kept
          HN    GLU-  29 - HG2   GLN   30   5.38 +/- 0.75  17.244% * 16.4670% (0.20   4.82  26.47) =   4.331%  kept
          HN    GLU-  14 - HG2   GLN   30  12.42 +/- 3.12   4.266% *  0.3420% (0.99   0.02   0.02) =   0.022%
          HN    LYS+  99 - HG2   GLN   30  15.87 +/- 3.42   1.014% *  0.2993% (0.87   0.02   0.02) =   0.005%
          HE1   HIS  122 - HG2   GLN   30  19.48 +/- 3.71   0.698% *  0.3185% (0.92   0.02   0.02) =   0.003%
          HN    ASP-  86 - HG2   GLN   30  20.55 +/- 4.97   0.672% *  0.1954% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.03, residual support = 158.2:
      O   HE21  GLN   30 - HG2   GLN   30   3.97 +/- 0.34  87.766% * 95.9412% (0.87  10.0   4.04 159.02) =  99.513%  kept
          HD1   TRP   27 - HG2   GLN   30   8.19 +/- 0.67  10.607% *  3.8725% (1.00   1.0   0.70   0.02) =   0.485%  kept
          QD    PHE   59 - HG2   GLN   30  18.05 +/- 2.13   1.257% *  0.1104% (1.00   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HG2   GLN   30  26.07 +/- 2.77   0.370% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.17, residual support = 158.8:
      O   HE21  GLN   30 - HG3   GLN   30   3.69 +/- 0.29  60.233% * 98.5721% (0.87  10.0   3.17 159.02) =  99.882%  kept
          HD1   TRP   27 - HG3   GLN   30   8.28 +/- 0.58   5.880% *  1.1240% (1.00   1.0   0.20   0.02) =   0.111%  kept
          QD    PHE   59 - HB2   PRO   93   7.65 +/- 2.26  14.699% *  0.0088% (0.08   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG3   GLN   30  17.09 +/- 2.03   0.778% *  0.1134% (1.00   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111  10.61 +/- 1.29   3.195% *  0.0228% (0.20   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  10.09 +/- 3.05  11.277% *  0.0061% (0.05   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   LYS+ 111  14.39 +/- 2.96   2.394% *  0.0157% (0.14   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG3   GLN   30  25.17 +/- 2.87   0.221% *  0.0781% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  19.55 +/- 2.44   0.512% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  26.50 +/- 2.77   0.186% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  26.96 +/- 3.03   0.189% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.91 +/- 1.82   0.435% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.625, support = 6.42, residual support = 152.7:
          HN    GLN   30 - HG3   GLN   30   4.02 +/- 0.41  65.374% * 82.5632% (0.65   6.54 159.02) =  95.246%  kept
          HN    GLU-  29 - HG3   GLN   30   6.30 +/- 0.53  16.983% * 15.6748% (0.20   4.06  26.47) =   4.697%  kept
          HN    GLU-  14 - HG3   GLN   30  12.71 +/- 2.92   4.078% *  0.3866% (0.99   0.02   0.02) =   0.028%
          HN    LYS+  99 - HG3   GLN   30  15.16 +/- 3.26   2.200% *  0.3384% (0.87   0.02   0.02) =   0.013%
          HE1   HIS  122 - HG3   GLN   30  18.40 +/- 3.73   1.027% *  0.3601% (0.92   0.02   0.02) =   0.007%
          HN    ASP-  86 - HG3   GLN   30  19.86 +/- 4.68   0.851% *  0.2208% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  17.85 +/- 2.23   1.073% *  0.0724% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  14.96 +/- 2.32   1.774% *  0.0281% (0.07   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   LYS+ 111  20.84 +/- 4.37   1.081% *  0.0444% (0.11   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  14.41 +/- 2.44   2.785% *  0.0172% (0.04   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  22.44 +/- 3.11   0.506% *  0.0680% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   PRO   93  18.95 +/- 1.30   0.724% *  0.0264% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.89 +/- 2.57   0.193% *  0.0507% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  34.35 +/- 3.46   0.120% *  0.0777% (0.20   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  22.07 +/- 1.57   0.458% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  27.72 +/- 2.35   0.223% *  0.0301% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  30.31 +/- 2.84   0.169% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  23.54 +/- 1.70   0.381% *  0.0060% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.168, support = 5.36, residual support = 44.9:
          HG    LEU   31 - HB3   GLN   30   4.00 +/- 0.37  52.796% * 74.9893% (0.15  1.00   6.14  51.52) =  85.482%  kept
          QD2   LEU   73 - HB3   GLN   30   4.80 +/- 2.33  44.947% * 14.7971% (0.25  1.00   0.75   5.87) =  14.360%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.53 +/- 2.27   0.716% *  7.7026% (0.49 10.00   0.02   0.02) =   0.119%  kept
          QD2   LEU  123 - HB3   GLN   30  20.75 +/- 3.12   0.962% *  0.9598% (0.61  1.00   0.02   0.02) =   0.020%
          HG3   LYS+ 121 - HB3   GLN   30  20.96 +/- 4.58   0.580% *  1.5511% (0.98  1.00   0.02   0.02) =   0.019%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.67, residual support = 5.6:
          QD1   LEU   73 - HB3   GLN   30   4.06 +/- 2.82  58.344% * 83.4750% (0.87   2.78   5.87) =  95.481%  kept
          QD1   LEU  104 - HB3   GLN   30  12.45 +/- 4.10  15.482% * 14.0678% (0.87   0.47   0.02) =   4.270%  kept
          QD1   LEU   63 - HB3   GLN   30  13.33 +/- 3.11  13.018% *  0.6012% (0.87   0.02   0.02) =   0.153%  kept
          QD2   LEU   80 - HB3   GLN   30  14.01 +/- 7.03   3.417% *  0.6869% (0.99   0.02   0.02) =   0.046%
          QD2   LEU   63 - HB3   GLN   30  12.95 +/- 2.40   5.427% *  0.1927% (0.28   0.02   0.02) =   0.021%
          QG1   VAL   83 - HB3   GLN   30  13.07 +/- 5.57   3.619% *  0.2849% (0.41   0.02   0.02) =   0.020%
          QD2   LEU  115 - HB3   GLN   30  17.85 +/- 2.06   0.694% *  0.6915% (1.00   0.02   0.02) =   0.009%
    Distance limit 3.77 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.21 +/- 3.44  29.240% * 54.6388% (0.97   0.02   0.02) =  50.968%  kept
          HG3   LYS+ 121 - HB2   GLN   30  20.51 +/- 4.55  32.946% * 36.6255% (0.65   0.02   0.02) =  38.494%  kept
          QD1   ILE   56 - HB2   GLN   30  18.31 +/- 2.29  37.814% *  8.7356% (0.15   0.02   0.02) =  10.538%  kept
    Distance limit 3.53 A violated in 20 structures by 11.74 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 2.7, residual support = 5.64:
          QD1   LEU   73 - HB2   GLN   30   4.49 +/- 2.90  56.188% * 85.8777% (0.87   2.79   5.87) =  96.037%  kept
          QD1   LEU  104 - HB2   GLN   30  12.24 +/- 3.92  16.008% * 11.6078% (0.87   0.38   0.02) =   3.698%  kept
          QD1   LEU   63 - HB2   GLN   30  12.97 +/- 3.32  12.283% *  0.6152% (0.87   0.02   0.02) =   0.150%  kept
          QD2   LEU   80 - HB2   GLN   30  14.50 +/- 7.02   3.539% *  0.7029% (0.99   0.02   0.02) =   0.050%
          QD2   LEU   63 - HB2   GLN   30  12.48 +/- 2.75   7.024% *  0.1972% (0.28   0.02   0.02) =   0.028%
          QG1   VAL   83 - HB2   GLN   30  13.56 +/- 5.57   3.910% *  0.2916% (0.41   0.02   0.02) =   0.023%
          QD2   LEU  115 - HB2   GLN   30  17.56 +/- 2.24   1.049% *  0.7076% (1.00   0.02   0.02) =   0.015%
    Distance limit 3.77 A violated in 1 structures by 0.40 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.97, residual support = 159.0:
      O T HA    GLN   30 - HG3   GLN   30   3.21 +/- 0.40  52.855% * 98.6729% (0.65  10.0 10.00   4.97 159.02) =  99.972%  kept
          HB    THR   39 - HG3   GLN   30  10.52 +/- 3.14   3.188% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.007%
        T HD3   PRO   52 - HB2   PRO   93  10.52 +/- 2.62   3.296% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HB3   SER   37 - HG3   GLN   30  10.84 +/- 2.15   2.207% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QB    SER   13 - HG3   GLN   30  13.06 +/- 2.97   1.411% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   89 - HB2   PRO   93   8.11 +/- 2.13  15.040% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   82 - HG3   GLN   30  20.75 +/- 6.53   0.495% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   LYS+ 111  14.97 +/- 4.54   1.656% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   8.35 +/- 2.85  10.565% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HG3   GLN   30  20.32 +/- 2.55   0.276% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.91 +/- 2.01   3.110% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  29.21 +/- 2.77   0.079% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.50 +/- 1.64   0.175% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  14.99 +/- 2.67   0.685% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.78 +/- 2.86   0.115% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  20.21 +/- 3.12   0.269% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  24.40 +/- 5.31   0.255% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  21.84 +/- 2.56   0.201% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  10.32 +/- 2.34   2.257% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.69 +/- 2.17   0.789% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  17.75 +/- 2.36   0.412% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  27.47 +/- 3.65   0.105% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.51 +/- 4.80   0.087% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.97 +/- 1.63   0.178% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  32.06 +/- 3.14   0.059% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  26.21 +/- 2.37   0.110% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.89 +/- 2.46   0.126% *  0.0072% (0.05   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 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.97, residual support = 22.6:
          HZ2   TRP   27 - QD1   LEU   31   2.60 +/- 0.51  94.888% * 99.8195% (0.87   1.97  22.59) =  99.990%  kept
          HZ    PHE   72 - QD1   LEU   31  11.23 +/- 2.44   5.112% *  0.1805% (0.15   0.02   0.02) =   0.010%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 0.832, residual support = 12.3:
          HD21  ASN   28 - QD1   LEU   31   4.93 +/- 0.90  45.561% * 57.0648% (0.92   0.89  19.19) =  60.791%  kept
          HZ2   TRP   87 - QD1   LEU   31   9.78 +/- 6.68  41.830% * 39.9194% (0.76   0.75   1.75) =  39.043%  kept
          HN    LEU   63 - QD1   LEU   31  14.14 +/- 2.30   2.606% *  1.0645% (0.76   0.02   0.02) =   0.065%
          HN    ILE   56 - QD1   LEU   31  19.28 +/- 3.15   1.869% *  0.9011% (0.65   0.02   0.02) =   0.039%
          HN    ALA   84 - QD1   LEU   31  14.53 +/- 5.86   3.199% *  0.3873% (0.28   0.02   0.02) =   0.029%
          QE    PHE   60 - QD1   LEU   31  12.17 +/- 3.05   4.401% *  0.2757% (0.20   0.02   0.02) =   0.028%
          HN    LYS+ 111 - QD1   LEU   31  20.69 +/- 2.64   0.534% *  0.3873% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.90 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.738, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  14.37 +/- 5.06  36.966% * 52.6698% (0.97   0.02   0.02) =  59.105%  kept
          HN    ASP- 105 - QD1   LEU   31  11.83 +/- 3.16  45.834% * 18.6164% (0.34   0.02   0.02) =  25.903%  kept
          HN    PHE   55 - QD1   LEU   31  20.52 +/- 3.70  17.200% * 28.7138% (0.53   0.02   0.02) =  14.993%  kept
    Distance limit 4.29 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.67, residual support = 230.8:
          HN    LEU   31 - HG    LEU   31   2.54 +/- 0.47  95.496% * 99.1386% (0.67   7.67 230.79) =  99.990%  kept
          HN    LYS+  38 - HG    LEU   31  10.32 +/- 1.35   2.755% *  0.2001% (0.52   0.02   0.02) =   0.006%
          HN    ASP-  62 - HG    LEU   31  17.60 +/- 2.40   0.572% *  0.2775% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  24.49 +/- 3.66   0.475% *  0.3067% (0.79   0.02   0.02) =   0.002%
          HN    PHE   55 - HG    LEU   31  24.91 +/- 3.90   0.702% *  0.0771% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 230.7:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.04  91.195% * 99.3670% (0.34  10.0   7.14 230.79) =  99.974%  kept
          HN    LYS+  38 - HB3   LEU   31   8.85 +/- 1.09   7.556% *  0.2907% (1.00   1.0   0.02   0.02) =   0.024%
          HN    ARG+  54 - HB3   LEU   31  25.87 +/- 3.85   0.535% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  18.74 +/- 2.14   0.715% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 5.31, residual support = 39.4:
          HN    GLN   32 - HB3   LEU   31   3.94 +/- 0.21  63.261% * 75.7931% (0.76   5.93  44.39) =  85.514%  kept
          HN    ALA   34 - HB3   LEU   31   4.92 +/- 0.34  34.288% * 23.6753% (0.84   1.69  10.14) =  14.478%  kept
          HN    LEU   80 - HB3   LEU   31  19.47 +/- 5.80   1.117% *  0.2431% (0.73   0.02   0.02) =   0.005%
          HN    SER   85 - HB3   LEU   31  20.76 +/- 6.51   0.937% *  0.1256% (0.38   0.02   0.02) =   0.002%
          HN    CYS   53 - HB3   LEU   31  25.18 +/- 3.34   0.396% *  0.1629% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 19.2:
        T HA    ASN   28 - HB2   LEU   31   3.61 +/- 0.24  75.697% * 97.0008% (0.73 10.00   2.55  19.19) =  99.747%  kept
        T HA    ALA   34 - HB2   LEU   31   7.40 +/- 0.26   9.071% *  1.1980% (0.90 10.00   0.02  10.14) =   0.148%  kept
          HA    THR   26 - HB2   LEU   31   8.67 +/- 0.27   5.538% *  1.1779% (0.76  1.00   0.23   0.02) =   0.089%
          HA1   GLY  101 - HB2   LEU   31  13.10 +/- 5.72   8.140% *  0.1324% (0.99  1.00   0.02   0.02) =   0.015%
        T HA    ALA  124 - HB2   LEU   31  26.00 +/- 4.29   0.310% *  0.2061% (0.15 10.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  22.20 +/- 2.29   0.366% *  0.1021% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  25.66 +/- 2.69   0.237% *  0.1324% (0.99  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.19 +/- 4.03   0.340% *  0.0297% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.59 +/- 2.79   0.302% *  0.0206% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 230.8:
      O   HN    LEU   31 - HB2   LEU   31   2.62 +/- 0.17  97.433% * 99.3670% (0.34  10.0   7.14 230.79) =  99.993%  kept
          HN    LYS+  38 - HB2   LEU   31   9.73 +/- 0.80   2.140% *  0.2907% (1.00   1.0   0.02   0.02) =   0.006%
          HN    ARG+  54 - HB2   LEU   31  26.46 +/- 3.76   0.165% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  19.49 +/- 2.18   0.262% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.769, support = 5.69, residual support = 42.3:
          HN    GLN   32 - HB2   LEU   31   2.81 +/- 0.24  84.397% * 71.5946% (0.76   5.93  44.39) =  93.782%  kept
          HN    ALA   34 - HB2   LEU   31   5.17 +/- 0.17  14.350% * 27.9035% (0.84   2.11  10.14) =   6.215%  kept
          HN    LEU   80 - HB2   LEU   31  19.33 +/- 6.09   0.580% *  0.2295% (0.73   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   LEU   31  20.81 +/- 6.81   0.464% *  0.1186% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  25.75 +/- 3.27   0.210% *  0.1538% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.36 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 = 7.14, residual support = 230.8:
      O   HN    LEU   31 - HA    LEU   31   2.80 +/- 0.05  94.384% * 99.3670% (0.34  10.0   7.14 230.79) =  99.984%  kept
          HN    LYS+  38 - HA    LEU   31   7.72 +/- 0.77   4.965% *  0.2907% (1.00   1.0   0.02   0.02) =   0.015%
          HN    ASP-  62 - HA    LEU   31  17.87 +/- 2.07   0.431% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  25.55 +/- 3.34   0.219% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 0.778, support = 5.34, residual support = 38.0:
      O   HN    GLN   32 - HA    LEU   31   3.58 +/- 0.04  39.372% * 86.6200% (0.76  10.0   5.93  44.39) =  81.241%  kept
          HN    ALA   34 - HA    LEU   31   3.10 +/- 0.28  59.652% * 13.2000% (0.84   1.0   2.79  10.14) =  18.757%  kept
          HN    LEU   80 - HA    LEU   31  19.39 +/- 5.31   0.499% *  0.0823% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  21.32 +/- 5.57   0.342% *  0.0425% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.96 +/- 2.77   0.135% *  0.0552% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.633, support = 0.968, residual support = 1.49:
          QD1   LEU   73 - HA    LEU   31   6.73 +/- 2.57  41.496% * 53.1591% (0.49   1.20   2.00) =  70.192%  kept
          QD1   LEU  104 - HA    LEU   31  10.79 +/- 3.89  21.757% * 41.0146% (0.99   0.45   0.30) =  28.395%  kept
          QG1   VAL   83 - HA    LEU   31  14.48 +/- 5.95  10.871% *  1.4634% (0.80   0.02   0.02) =   0.506%  kept
          QD2   LEU   80 - HA    LEU   31  16.24 +/- 6.96   8.396% *  1.5853% (0.87   0.02   0.02) =   0.424%  kept
          QD1   LEU   63 - HA    LEU   31  13.54 +/- 3.07  12.378% *  0.8896% (0.49   0.02   0.02) =   0.350%  kept
          QD2   LEU  115 - HA    LEU   31  18.06 +/- 1.72   2.009% *  1.5265% (0.84   0.02   0.02) =   0.098%
          QG2   ILE   89 - HA    LEU   31  16.32 +/- 3.19   3.094% *  0.3617% (0.20   0.02   0.02) =   0.036%
    Distance limit 3.84 A violated in 13 structures by 1.77 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.59, residual support = 17.0:
          HD1   TRP   87 - QG2   VAL   83   2.61 +/- 0.62  84.192% * 73.4456% (0.53   3.66  17.03) =  97.424%  kept
          HE3   TRP   87 - QG2   VAL   83   6.33 +/- 0.51   7.162% * 19.7901% (0.45   1.16  17.03) =   2.233%  kept
          HN    TRP   27 - QG2   VAL   83  11.94 +/- 4.99   3.849% *  4.9608% (1.00   0.13   0.56) =   0.301%  kept
          HN    ALA   91 - QG2   VAL   83   9.05 +/- 1.22   2.542% *  0.6374% (0.84   0.02   0.02) =   0.026%
          HN    ALA   61 - QG2   VAL   83  13.95 +/- 2.55   1.298% *  0.5832% (0.76   0.02   0.02) =   0.012%
          HN    THR   39 - QG2   VAL   83  18.36 +/- 3.55   0.485% *  0.4320% (0.57   0.02   0.02) =   0.003%
          HN    GLU-  36 - QG2   VAL   83  19.52 +/- 4.60   0.470% *  0.1510% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.04 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  12.53 +/- 1.92 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.19 A violated in 20 structures by 9.34 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.549, support = 0.02, residual support = 0.0991:
          HE21  GLN   30 - QG2   VAL   42   9.49 +/- 1.43  29.328% * 30.1124% (0.67   0.02   0.02) =  38.840%  kept
          QD    PHE   59 - QG2   VAL   42   8.30 +/- 1.31  42.470% * 17.5479% (0.39   0.02   0.02) =  32.777%  kept
          HD1   TRP   27 - QG2   VAL   42  11.71 +/- 2.25  19.477% * 17.5479% (0.39   0.02   0.55) =  15.031%  kept
          HH2   TRP   49 - QG2   VAL   42  16.48 +/- 3.16   8.726% * 34.7918% (0.77   0.02   0.02) =  13.352%  kept
    Distance limit 3.37 A violated in 20 structures by 3.90 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.765, support = 0.299, residual support = 1.28:
          QD2   LEU   40 - QG2   VAL   42   3.20 +/- 1.11  39.148% * 65.0073% (0.79  1.00   0.33   1.42) =  89.255%  kept
        T HB    VAL   75 - QG2   VAL   42   7.48 +/- 1.39   8.022% * 19.1657% (0.39 10.00   0.02   0.02) =   5.392%  kept
          QD1   LEU   67 - QG2   VAL   42   5.65 +/- 2.44  20.484% *  3.9287% (0.80  1.00   0.02   0.02) =   2.823%  kept
          QD2   LEU   71 - QG2   VAL   42   6.37 +/- 1.85  15.720% *  1.9166% (0.39  1.00   0.02   1.16) =   1.057%  kept
          QG2   ILE  103 - QG2   VAL   42   6.58 +/- 1.95   6.360% *  3.9026% (0.79  1.00   0.02   0.02) =   0.871%  kept
          QD1   ILE  103 - QG2   VAL   42   7.32 +/- 1.64   6.285% *  1.4778% (0.30  1.00   0.02   0.02) =   0.326%  kept
          HG3   LYS+  74 - QG2   VAL   42  10.74 +/- 1.72   1.554% *  3.7247% (0.76  1.00   0.02   0.02) =   0.203%  kept
          QG2   ILE  119 - QG2   VAL   42   9.26 +/- 1.98   2.427% *  0.8766% (0.18  1.00   0.02   0.02) =   0.075%
    Distance limit 3.09 A violated in 0 structures by 0.11 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.973, support = 4.15, residual support = 22.2:
        T HZ2   TRP   27 - QD2   LEU   31   3.48 +/- 0.61  60.700% * 96.9788% (0.99 10.00   4.21  22.59) =  98.023%  kept
        T HZ2   TRP   27 - QG2   VAL   43   6.40 +/- 3.65  39.300% *  3.0212% (0.07 10.00   0.92   3.40) =   1.977%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.2, residual support = 51.5:
          HE22  GLN   30 - QD2   LEU   31   4.29 +/- 0.45  72.419% * 99.1212% (0.90   3.20  51.52) =  99.949%  kept
          HD22  ASN   69 - QD2   LEU   31  13.56 +/- 2.49   5.692% *  0.4473% (0.65   0.02   0.02) =   0.035%
          HE22  GLN   30 - QG2   VAL   43   8.65 +/- 2.70  14.637% *  0.0420% (0.06   0.02   0.02) =   0.009%
          HN    TRP   49 - QD2   LEU   31  19.29 +/- 2.14   0.937% *  0.3365% (0.49   0.02   0.02) =   0.004%
          HD22  ASN   69 - QG2   VAL   43  13.28 +/- 1.84   3.682% *  0.0303% (0.04   0.02   0.02) =   0.002%
          HN    TRP   49 - QG2   VAL   43  13.61 +/- 1.17   2.634% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.51 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.8:
      O T HA    VAL   43 - QG2   VAL   43   2.27 +/- 0.33  89.712% * 99.3737% (0.50  10.0 10.00   3.00  60.80) =  99.980%  kept
        T HA    VAL   43 - QD2   LEU   31   8.22 +/- 2.77   4.177% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.013%
          HA    HIS   22 - QG2   VAL   43  10.39 +/- 3.33   2.271% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   69 - QG2   VAL   43  12.91 +/- 2.22   1.049% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS   22 - QD2   LEU   31   9.61 +/- 0.90   2.135% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  12.96 +/- 2.10   0.657% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.192, support = 3.03, residual support = 20.0:
        T HZ3   TRP   27 - QD2   LEU   31   3.20 +/- 0.85  64.862% * 77.3273% (0.14 10.00   3.25  22.59) =  86.293%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.90 +/- 3.27  35.138% * 22.6727% (0.50  1.00   1.68   3.40) =  13.707%  kept
    Distance limit 3.03 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.885, support = 4.3, residual support = 42.0:
          HN    GLN   32 - QG    GLN   32   3.70 +/- 0.44  74.012% * 84.5829% (0.92   4.37  44.41) =  94.538%  kept
          HN    ALA   34 - QG    GLN   32   5.53 +/- 0.26  24.296% * 14.8738% (0.22   3.18   0.69) =   5.457%  kept
          HN    SER   85 - QG    GLN   32  22.98 +/- 5.98   0.600% *  0.4050% (0.97   0.02   0.02) =   0.004%
          HN    LEU   80 - QG    GLN   32  21.59 +/- 5.25   0.698% *  0.0648% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  22.12 +/- 1.54   0.394% *  0.0735% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.92, support = 4.41, residual support = 44.2:
      O   HN    GLN   32 - QB    GLN   32   2.11 +/- 0.10  90.702% * 95.9768% (0.92  10.0   4.41  44.41) =  99.606%  kept
          HN    ALA   34 - QB    GLN   32   4.62 +/- 0.13   8.852% *  3.8887% (0.22   1.0   3.36   0.69) =   0.394%  kept
          HN    SER   85 - QB    GLN   32  21.68 +/- 5.89   0.147% *  0.1003% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  19.92 +/- 5.37   0.199% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.76 +/- 1.69   0.101% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.262, support = 6.28, residual support = 55.2:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.02  25.046% * 68.7210% (0.36  10.0   6.46  26.47) =  55.693%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.76 +/- 0.04  51.042% * 26.4888% (0.14  10.0   6.13  92.49) =  43.749%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.23   3.652% *  2.8995% (0.55   1.0   0.55   1.80) =   0.343%  kept
          HN    GLU-  14 - HA    GLU-  29  14.87 +/- 4.51   8.707% *  0.6563% (0.41   1.0   0.17   0.02) =   0.185%  kept
          HN    GLN   30 - HA    LYS+  33   7.55 +/- 0.55   2.604% *  0.1087% (0.57   1.0   0.02   0.28) =   0.009%
          HN    GLU-  14 - HA    LYS+  33  12.59 +/- 3.05   1.332% *  0.1253% (0.65   1.0   0.02   0.02) =   0.005%
          HN    GLU-  29 - HA    GLN   32   7.41 +/- 0.38   2.704% *  0.0407% (0.21   1.0   0.02   0.02) =   0.004%
          HN    LYS+  99 - HA    GLN   32  14.58 +/- 4.85   0.941% *  0.0958% (0.50   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLN   32  15.54 +/- 3.64   0.707% *  0.1217% (0.63   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    LYS+  33   8.95 +/- 0.80   1.609% *  0.0419% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  15.79 +/- 4.21   0.431% *  0.0985% (0.51   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  16.98 +/- 3.96   0.369% *  0.0623% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  22.91 +/- 6.97   0.178% *  0.0958% (0.50   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  21.30 +/- 4.06   0.146% *  0.1087% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  21.56 +/- 3.62   0.142% *  0.1056% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  21.90 +/- 6.53   0.188% *  0.0623% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  25.08 +/- 5.56   0.099% *  0.0985% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  23.07 +/- 3.45   0.103% *  0.0687% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 4.32, residual support = 42.9:
      O   HN    GLN   32 - HA    GLN   32   2.74 +/- 0.05  58.986% * 78.6477% (0.39  10.0   4.35  44.41) =  95.471%  kept
          HN    GLN   32 - HA    LYS+  33   5.27 +/- 0.12   8.390% * 18.7914% (0.40   1.0   4.64  14.99) =   3.245%  kept
          HN    GLN   32 - HA    GLU-  29   3.41 +/- 0.21  31.496% *  1.9786% (0.25   1.0   0.77   0.02) =   1.282%  kept
          HN    SER   85 - HA    GLN   32  24.37 +/- 6.54   0.150% *  0.1282% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  23.14 +/- 6.24   0.168% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  26.36 +/- 5.19   0.091% *  0.1320% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.76 +/- 1.80   0.110% *  0.0676% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.79 +/- 1.61   0.095% *  0.0696% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  22.63 +/- 1.77   0.110% *  0.0440% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  23.19 +/- 3.60   0.123% *  0.0214% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  20.90 +/- 3.71   0.177% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  24.02 +/- 3.23   0.103% *  0.0221% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.627, support = 5.91, residual support = 138.1:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.03  53.362% * 79.0795% (0.69  10.0   6.12 154.54) =  88.232%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.03  27.419% * 20.3370% (0.18  10.0   4.39  14.99) =  11.659%  kept
          HN    LYS+  33 - HA    GLU-  29   4.61 +/- 0.84  16.872% *  0.3015% (0.19   1.0   0.27   0.02) =   0.106%  kept
          HN    CYS   21 - HA    LYS+  33  14.50 +/- 1.49   0.445% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.78 +/- 1.11   0.827% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.71 +/- 1.24   0.418% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.15 +/- 3.10   0.098% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  24.82 +/- 3.20   0.092% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  25.80 +/- 2.99   0.091% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  24.77 +/- 2.54   0.093% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  22.51 +/- 4.17   0.140% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  22.89 +/- 4.55   0.142% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.641, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  16.21 +/- 3.46  13.312% * 37.1179% (0.92   0.02   0.02) =  34.369%  kept
          HN    LYS+  66 - QB    LYS+  33  15.92 +/- 3.69  18.676% * 18.0271% (0.45   0.02   0.02) =  23.418%  kept
          HE3   TRP   27 - QB    LYS+  33   8.89 +/- 0.77  61.041% *  5.4417% (0.14   0.02   0.02) =  23.104%  kept
          HN    LYS+  81 - QB    LYS+  33  22.64 +/- 5.22   6.971% * 39.4132% (0.98   0.02   0.02) =  19.110%  kept
    Distance limit 3.71 A violated in 20 structures by 4.91 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.11, residual support = 154.5:
      O   HN    LYS+  33 - QB    LYS+  33   2.40 +/- 0.28  98.625% * 99.9232% (0.97  10.0   6.11 154.54) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  11.37 +/- 1.54   1.135% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  21.76 +/- 3.34   0.240% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.881, support = 5.63, residual support = 38.7:
          HN    ALA   34 - QB    LYS+  33   3.35 +/- 0.26  71.564% * 67.5735% (0.92   5.93  43.02) =  84.680%  kept
          HN    GLN   32 - QB    LYS+  33   4.79 +/- 0.38  27.333% * 32.0018% (0.65   4.01  14.99) =  15.317%  kept
          HN    LEU   80 - QB    LYS+  33  20.12 +/- 4.57   0.565% *  0.2063% (0.84   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    LYS+  33  25.50 +/- 2.75   0.204% *  0.1498% (0.61   0.02   0.02) =   0.001%
          HN    SER   85 - QB    LYS+  33  22.64 +/- 4.34   0.334% *  0.0687% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.521, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  16.48 +/- 3.55  21.930% * 24.3087% (0.57   0.02   0.02) =  33.190%  kept
          HN    GLY   16 - QB    LYS+  33   9.10 +/- 3.31  61.832% *  8.4971% (0.20   0.02   0.02) =  32.711%  kept
          HN    SER   82 - QB    LYS+  33  22.75 +/- 5.60   9.497% * 34.3809% (0.80   0.02   0.02) =  20.328%  kept
          HN    GLN   90 - QB    LYS+  33  23.05 +/- 2.38   6.741% * 32.8133% (0.76   0.02   0.02) =  13.771%  kept
    Distance limit 3.91 A violated in 16 structures by 4.83 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.517, support = 5.58, residual support = 151.2:
      O   HA    LYS+  33 - HG2   LYS+  33   3.93 +/- 0.19  36.341% * 94.0532% (0.53  10.0   5.64 154.54) =  97.621%  kept
          HB2   SER   82 - QG    LYS+  81   5.81 +/- 1.38  18.380% *  4.1596% (0.13   1.0   3.50  13.27) =   2.184%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.50 +/- 1.14  11.296% *  0.2898% (0.38   1.0   0.09   0.02) =   0.093%
          HB2   SER   37 - HG2   LYS+  33   7.37 +/- 2.20  10.373% *  0.1493% (0.84   1.0   0.02   0.02) =   0.044%
          HA1   GLY   16 - HG2   LYS+  33  10.87 +/- 3.76   7.869% *  0.0870% (0.49   1.0   0.02   0.02) =   0.020%
          HA    VAL   70 - HG2   LYS+  33  11.56 +/- 3.25   3.764% *  0.1493% (0.84   1.0   0.02   0.02) =   0.016%
          HA    GLN  116 - QG    LYS+  81  19.80 +/- 4.61   3.654% *  0.0715% (0.40   1.0   0.02   0.02) =   0.007%
          HA    VAL   18 - HG2   LYS+  33  10.16 +/- 2.85   3.207% *  0.0610% (0.34   1.0   0.02   0.02) =   0.006%
          HA    GLN  116 - HG2   LYS+ 106  14.48 +/- 1.94   0.839% *  0.0906% (0.51   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+ 106  16.73 +/- 2.92   0.571% *  0.0906% (0.51   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HG2   LYS+  33  24.35 +/- 3.35   0.220% *  0.1493% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  20.26 +/- 3.54   0.356% *  0.0906% (0.51   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    LYS+  81  21.99 +/- 1.46   0.216% *  0.0715% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  24.87 +/- 7.15   0.285% *  0.0497% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.12 +/- 3.02   0.241% *  0.0570% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  19.28 +/- 2.54   0.341% *  0.0370% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  22.14 +/- 5.65   0.375% *  0.0321% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  22.69 +/- 3.24   0.220% *  0.0528% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.81 +/- 3.63   0.280% *  0.0407% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.85 +/- 3.28   0.151% *  0.0715% (0.40   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  19.67 +/- 3.55   0.344% *  0.0292% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.53 +/- 3.97   0.327% *  0.0301% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  25.29 +/- 4.72   0.188% *  0.0450% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.93 +/- 3.12   0.161% *  0.0417% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.32, residual support = 125.7:
        T QD1   ILE   56 - QG2   ILE   56   2.16 +/- 0.45  91.740% * 99.6085% (0.98 10.00   5.32 125.67) =  99.997%  kept
          QD2   LEU  123 - QG2   ILE   56   9.63 +/- 3.01   6.050% *  0.0138% (0.14  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QG2   ILE   56  12.71 +/- 2.20   0.970% *  0.0814% (0.80  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QG2   ILE   56  14.97 +/- 2.00   0.427% *  0.1568% (0.15 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  12.57 +/- 1.70   0.586% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  19.24 +/- 2.62   0.227% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.981, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   4.51 +/- 1.36  77.067% * 49.9558% (0.99 10.00   0.02   0.02) =  96.881%  kept
        T HA    ILE   19 - QG2   ILE   56  17.60 +/- 2.22   2.233% * 42.0992% (0.84 10.00   0.02   0.02) =   2.366%  kept
          HA    GLU- 114 - QG2   ILE   56   9.53 +/- 1.81  17.313% *  1.2568% (0.25  1.00   0.02   0.02) =   0.548%  kept
          HA    THR   26 - QG2   ILE   56  21.99 +/- 2.49   1.335% *  2.8535% (0.57  1.00   0.02   0.02) =   0.096%
          HA    GLU-  25 - QG2   ILE   56  22.71 +/- 2.89   1.218% *  3.0570% (0.61  1.00   0.02   0.02) =   0.094%
          HA1   GLY  101 - QG2   ILE   56  22.46 +/- 2.96   0.834% *  0.7777% (0.15  1.00   0.02   0.02) =   0.016%
    Distance limit 3.17 A violated in 12 structures by 1.43 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.916, support = 4.14, residual support = 22.2:
          HA    PHE   55 - QG2   ILE   56   4.20 +/- 0.49  60.366% * 91.3743% (0.92   4.23  22.77) =  97.525%  kept
          HA    ALA  110 - QG2   ILE   56  10.75 +/- 3.56  18.039% *  7.5679% (0.65   0.50   0.33) =   2.414%  kept
          HA    THR   46 - QG2   ILE   56   9.16 +/- 2.33  14.844% *  0.0926% (0.20   0.02   0.02) =   0.024%
          HA    VAL   42 - QG2   ILE   56  13.85 +/- 2.54   3.232% *  0.3746% (0.80   0.02   0.02) =   0.021%
          HA    GLN   90 - QG2   ILE   56  14.77 +/- 2.91   2.003% *  0.3575% (0.76   0.02   0.02) =   0.013%
          HA    GLN   17 - QG2   ILE   56  17.19 +/- 2.84   1.083% *  0.1166% (0.25   0.02   0.02) =   0.002%
          HA    SER   37 - QG2   ILE   56  23.18 +/- 3.08   0.433% *  0.1166% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.66 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  10.54 +/- 1.62 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.00 A violated in 20 structures by 7.54 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.28, residual support = 31.3:
          HN    ALA   57 - QG2   ILE   56   3.84 +/- 0.61  55.941% * 99.1125% (0.92   5.30  31.40) =  99.745%  kept
          HE21  GLN  116 - QG2   ILE   56   6.84 +/- 3.67  34.402% *  0.3516% (0.87   0.02   0.02) =   0.218%  kept
          HN    ALA  120 - QG2   ILE   56   9.08 +/- 2.16   8.367% *  0.1973% (0.49   0.02   0.02) =   0.030%
          HE21  GLN   90 - QG2   ILE   56  16.51 +/- 3.40   1.290% *  0.3386% (0.84   0.02   0.02) =   0.008%
    Distance limit 3.48 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.645, support = 6.71, residual support = 125.1:
          HN    ILE   56 - QG2   ILE   56   2.80 +/- 0.65  80.423% * 95.4309% (0.65   6.73 125.67) =  99.560%  kept
          QE    PHE   60 - QG2   ILE   56   8.06 +/- 1.86   9.736% *  3.2514% (0.20   0.75   4.32) =   0.411%  kept
          HN    LEU   63 - QG2   ILE   56   8.05 +/- 1.41   4.005% *  0.3348% (0.76   0.02   0.02) =   0.017%
          HN    LYS+ 111 - QG2   ILE   56   9.82 +/- 2.78   4.248% *  0.1218% (0.28   0.02   0.02) =   0.007%
          HZ2   TRP   87 - QG2   ILE   56  17.04 +/- 3.98   0.749% *  0.3348% (0.76   0.02   0.02) =   0.003%
          HD21  ASN   28 - QG2   ILE   56  20.68 +/- 2.93   0.273% *  0.4044% (0.92   0.02   0.02) =   0.001%
          HN    ALA   84 - QG2   ILE   56  16.73 +/- 3.31   0.567% *  0.1218% (0.28   0.02   0.02) =   0.001%
    Distance limit 2.98 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 = 0.789, support = 3.11, residual support = 6.12:
        T HB    THR   39 - QB    ALA   34   4.50 +/- 1.09  36.896% * 91.4466% (0.80 10.00   3.22   6.43) =  94.147%  kept
          HA    GLN   30 - QB    ALA   34   5.01 +/- 0.82  27.476% *  4.3105% (0.44  1.00   1.74   1.45) =   3.305%  kept
          HB3   SER   37 - QB    ALA   34   5.37 +/- 0.69  23.399% *  3.8581% (0.69  1.00   0.99   0.51) =   2.519%  kept
          QB    SER   13 - QB    ALA   34  11.47 +/- 2.79   9.081% *  0.0941% (0.83  1.00   0.02   0.02) =   0.024%
          HB3   SER   82 - QB    ALA   34  19.76 +/- 5.22   0.762% *  0.1011% (0.89  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  17.69 +/- 1.93   0.624% *  0.0779% (0.69  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - QB    ALA   34  16.20 +/- 1.99   0.811% *  0.0383% (0.34  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  23.42 +/- 2.71   0.446% *  0.0577% (0.51  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QB    ALA   34  20.13 +/- 2.17   0.506% *  0.0157% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.82, residual support = 10.1:
          HA    LEU   31 - QB    ALA   34   2.30 +/- 0.49 100.000% *100.0000% (0.65   1.82  10.14) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 3.08, residual support = 8.57:
        T QG1   VAL   41 - QB    ALA   34   3.28 +/- 1.63  53.576% * 88.4562% (0.75 10.00   3.13   8.48) =  94.451%  kept
          HG    LEU   31 - QB    ALA   34   4.55 +/- 0.93  26.603% * 10.3653% (0.83  1.00   2.12  10.14) =   5.496%  kept
          QD2   LEU   73 - QB    ALA   34   6.28 +/- 2.15  14.029% *  0.0848% (0.72  1.00   0.02   0.02) =   0.024%
        T QG2   VAL   18 - QB    ALA   34   9.36 +/- 1.33   1.948% *  0.4354% (0.37 10.00   0.02   0.02) =   0.017%
        T QD1   ILE   56 - QB    ALA   34  16.01 +/- 2.32   0.762% *  0.5572% (0.47 10.00   0.02   0.02) =   0.008%
          QG1   VAL   43 - QB    ALA   34   8.45 +/- 1.76   2.540% *  0.0685% (0.58  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QB    ALA   34  13.90 +/- 0.96   0.542% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.46, residual support = 21.3:
          HN    ASN   35 - QB    ALA   34   3.02 +/- 0.06  96.162% * 98.6575% (0.62   3.46  21.27) =  99.982%  kept
          HN    ALA   12 - QB    ALA   34  14.34 +/- 3.00   1.320% *  0.8294% (0.89   0.02   0.02) =   0.012%
          HN    PHE   97 - QB    ALA   34  11.78 +/- 2.43   2.117% *  0.2566% (0.28   0.02   0.02) =   0.006%
          HN    LEU  115 - QB    ALA   34  19.44 +/- 1.83   0.401% *  0.2566% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 3.72, residual support = 25.3:
      O   HN    ALA   34 - QB    ALA   34   2.06 +/- 0.07  98.937% * 99.6936% (0.58  10.0   3.72  25.26) =  99.999%  kept
          HN    THR   26 - QB    ALA   34  10.93 +/- 0.70   0.692% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  17.45 +/- 3.74   0.244% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.39 +/- 2.34   0.127% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.865, support = 3.52, residual support = 25.3:
      O   HN    ALA   34 - HA    ALA   34   2.75 +/- 0.03  91.942% * 99.6949% (0.87  10.0   3.52  25.26) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.70 +/- 0.19   6.401% *  0.0287% (0.25   1.0   0.02   0.69) =   0.002%
          HN    LEU   80 - HA    ALA   34  22.28 +/- 4.36   0.237% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  24.24 +/- 4.69   0.833% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.78 +/- 2.75   0.126% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  24.35 +/- 5.01   0.205% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  29.63 +/- 4.13   0.124% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  26.67 +/- 4.28   0.132% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.863, support = 2.06, residual support = 4.79:
          HB    THR   39 - HA    ALA   34   4.65 +/- 1.43  33.996% * 68.2583% (0.88   2.53   6.43) =  71.869%  kept
          HB3   SER   37 - HA    ALA   34   4.30 +/- 0.78  36.579% * 22.2798% (0.89   0.81   0.51) =  25.240%  kept
          HA    GLN   30 - HA    ALA   34   6.39 +/- 1.08  12.910% *  6.7065% (0.16   1.39   1.45) =   2.681%  kept
          QB    SER   13 - HA    ALA   34  12.56 +/- 3.14  11.018% *  0.5303% (0.87   0.02   0.02) =   0.181%  kept
          HB    THR  118 - HA    ALA   34  20.48 +/- 2.71   0.598% *  0.4200% (0.69   0.02   0.02) =   0.008%
          HA    ILE   89 - HA    ALA   34  22.85 +/- 1.91   0.267% *  0.5483% (0.89   0.02   0.02) =   0.005%
          HB3   SER   37 - HA    ALA  124  22.74 +/- 7.26   0.977% *  0.1259% (0.21   0.02   0.02) =   0.004%
          HB3   SER   82 - HA    ALA   34  25.30 +/- 5.99   0.306% *  0.3990% (0.65   0.02   0.02) =   0.004%
          HB    THR  118 - HA    ALA  124  14.16 +/- 0.62   1.015% *  0.0964% (0.16   0.02   0.02) =   0.003%
          HB    THR   39 - HA    ALA  124  21.10 +/- 6.60   0.629% *  0.1237% (0.20   0.02   0.02) =   0.002%
          QB    SER   13 - HA    ALA  124  25.70 +/- 6.42   0.303% *  0.1217% (0.20   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA  124  26.86 +/- 5.34   0.770% *  0.0281% (0.05   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  26.67 +/- 3.20   0.169% *  0.1259% (0.21   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  29.31 +/- 3.12   0.140% *  0.1223% (0.20   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    ALA  124  33.49 +/- 4.33   0.094% *  0.0916% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  25.57 +/- 4.59   0.230% *  0.0221% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 54.6:
      O T HA    ASN   35 - HB2   ASN   35   2.60 +/- 0.11  83.798% * 97.5620% (0.90  10.0 10.00   4.02  54.57) =  99.972%  kept
        T HA    LEU   40 - HB2   ASN   35  10.33 +/- 1.18   1.492% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.013%
        T HA    GLU-  15 - HB2   ASN   35  13.99 +/- 2.83   0.900% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ASN   35 - HB2   ASN   28  13.04 +/- 0.86   0.735% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   ASN   35  12.82 +/- 5.04   1.742% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   ASN   28  15.60 +/- 3.23   0.849% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB2   ASN   28  18.15 +/- 5.16   7.371% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   ASN   28  15.37 +/- 1.83   0.510% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  16.47 +/- 4.10   0.704% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.28 +/- 3.96   1.074% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  25.23 +/- 4.41   0.127% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.03 +/- 3.54   0.082% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.58 +/- 3.08   0.117% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  27.07 +/- 3.35   0.105% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  27.89 +/- 4.14   0.094% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  23.96 +/- 3.76   0.163% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.87 +/- 3.30   0.058% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  29.92 +/- 3.89   0.079% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.83, residual support = 54.6:
      O   HN    ASN   35 - HB2   ASN   35   3.09 +/- 0.45  83.058% * 99.6071% (0.57  10.0   5.83  54.57) =  99.993%  kept
          HN    LYS+  99 - HB2   ASN   35  14.36 +/- 5.50   2.042% *  0.0996% (0.57   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   ASN   28  17.26 +/- 4.66   7.395% *  0.0187% (0.11   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   ASN   28  10.88 +/- 0.58   2.259% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASN   35  15.64 +/- 3.43   0.957% *  0.0600% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  17.21 +/- 4.17   1.270% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  21.39 +/- 3.58   0.328% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  18.16 +/- 4.47   0.779% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  19.26 +/- 5.43   1.646% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  23.62 +/- 3.56   0.266% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 54.6:
      O   HD21  ASN   35 - HB2   ASN   35   3.16 +/- 0.49  91.504% * 99.7208% (1.00  10.0   3.57  54.57) =  99.997%  kept
          HD21  ASN   35 - HB2   ASN   28  11.31 +/- 1.85   4.095% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.49 +/- 1.71   2.013% *  0.0237% (0.24   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   35  20.27 +/- 2.20   0.412% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.66 +/- 2.69   0.565% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.84 +/- 2.90   0.130% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  20.25 +/- 2.41   0.612% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  25.91 +/- 3.05   0.237% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  30.51 +/- 3.17   0.128% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  25.35 +/- 5.54   0.302% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.807, support = 2.55, residual support = 6.72:
        T HA    GLN   32 - HB2   ASN   35   4.77 +/- 0.88  27.173% * 74.0291% (0.99 10.00   2.03   3.15) =  77.738%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.11 +/- 0.24  36.838% *  7.9253% (0.11 10.00   5.77  32.31) =  11.282%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.44 +/- 0.42  16.939% * 16.6286% (0.22 10.00   3.00   5.76) =  10.886%  kept
        T HA    GLN   32 - HB2   ASN   28   8.02 +/- 0.76   5.279% *  0.2303% (0.31 10.00   0.02   0.02) =   0.047%
        T HA    GLU-  29 - HB2   ASN   35   9.54 +/- 0.73   2.925% *  0.2548% (0.34 10.00   0.02   0.02) =   0.029%
        T HA    LYS+  65 - HB2   ASN   35  20.22 +/- 2.80   0.497% *  0.3349% (0.45 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  33 - HB2   ASN   28  10.51 +/- 0.99   2.313% *  0.0517% (0.07 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HB2   ASN   28  18.83 +/- 1.87   0.465% *  0.1042% (0.14 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HB2   ASN   35  15.97 +/- 3.11   0.935% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  15.88 +/- 1.56   0.688% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   28  19.94 +/- 9.36   1.576% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   ASN   35  26.82 +/- 4.12   0.153% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.77 +/- 3.62   0.128% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  14.55 +/- 1.44   0.968% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  21.68 +/- 5.42   0.363% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  18.64 +/- 3.32   0.763% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  28.14 +/- 7.52   0.197% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.88 +/- 2.39   0.102% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  19.45 +/- 6.54   0.705% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  25.39 +/- 5.12   0.202% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  27.38 +/- 3.44   0.194% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  24.11 +/- 2.77   0.211% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.94 +/- 3.70   0.180% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  27.61 +/- 4.09   0.206% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 4.93, residual support = 51.8:
          QB    GLU-  36 - HB3   ASN   35   4.25 +/- 0.26  72.456% * 97.6991% (0.99   4.95  51.93) =  99.706%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.17 +/- 0.58  17.274% *  1.0188% (0.18   0.29   0.02) =   0.248%  kept
          HB3   GLU-  29 - HB3   ASN   35   9.88 +/- 0.66   6.001% *  0.3677% (0.92   0.02   0.02) =   0.031%
          HG3   GLU-  29 - HB3   ASN   35  11.76 +/- 0.74   3.545% *  0.2255% (0.57   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HB3   ASN   35  24.38 +/- 3.84   0.476% *  0.3845% (0.97   0.02   0.02) =   0.003%
          HB2   GLN   90 - HB3   ASN   35  29.58 +/- 2.86   0.248% *  0.3044% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.712, support = 5.46, residual support = 44.6:
          QB    GLU-  36 - HB2   ASN   35   5.15 +/- 0.43  22.852% * 65.3967% (0.99  1.00   5.40  51.93) =  63.547%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.34 +/- 0.70  37.576% * 12.3872% (0.18  1.00   5.76  32.31) =  19.793%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.46 +/- 0.31  19.822% * 19.1446% (0.29  1.00   5.46  32.31) =  16.137%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.71 +/- 0.80  11.817% *  0.8833% (0.18  1.00   0.41   0.02) =   0.444%  kept
        T HB3   GLU-  79 - HB2   ASN   28  17.34 +/- 5.03   1.056% *  0.7331% (0.30 10.00   0.02   0.02) =   0.033%
          HB3   GLU-  29 - HB2   ASN   35  11.02 +/- 0.61   2.310% *  0.2254% (0.92  1.00   0.02   0.02) =   0.022%
          HG3   GLU-  29 - HB2   ASN   35  12.80 +/- 0.82   1.500% *  0.1383% (0.57  1.00   0.02   0.02) =   0.009%
        T HB2   GLN   90 - HB2   ASN   28  24.60 +/- 4.56   0.264% *  0.5805% (0.24 10.00   0.02   0.02) =   0.007%
          QB    GLU-  36 - HB2   ASN   28  12.40 +/- 1.19   1.774% *  0.0753% (0.31  1.00   0.02   0.02) =   0.006%
          HB3   GLU-  79 - HB2   ASN   35  24.92 +/- 3.88   0.232% *  0.2357% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB2   ASN   35  29.74 +/- 2.82   0.125% *  0.1866% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  16.94 +/- 1.18   0.673% *  0.0133% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.753, support = 1.89, residual support = 4.73:
          HA    LYS+  33 - HB3   ASN   35   4.12 +/- 0.31  43.308% * 57.5268% (0.92  1.00   1.85   5.76) =  60.935%  kept
          HA    GLN   32 - HB3   ASN   35   4.02 +/- 0.78  48.915% * 32.4486% (0.49  1.00   1.98   3.15) =  38.822%  kept
        T HA    VAL   18 - HB3   ASN   35  15.29 +/- 1.40   0.862% *  6.7313% (1.00 10.00   0.02   0.02) =   0.142%  kept
          HA    GLU-  29 - HB3   ASN   35   8.54 +/- 0.67   4.666% *  0.6687% (0.99  1.00   0.02   0.02) =   0.076%
          HA    VAL   70 - HB3   ASN   35  13.95 +/- 2.59   1.416% *  0.4364% (0.65  1.00   0.02   0.02) =   0.015%
          HB2   SER   82 - HB3   ASN   35  27.73 +/- 7.65   0.269% *  0.6731% (1.00  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - HB3   ASN   35  26.87 +/- 2.47   0.170% *  0.4364% (0.65  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  26.72 +/- 4.02   0.179% *  0.3549% (0.53  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   ASN   35  29.57 +/- 2.23   0.113% *  0.5156% (0.76  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB3   ASN   35  31.60 +/- 3.49   0.102% *  0.2082% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 54.6:
      O   HA    ASN   35 - HB3   ASN   35   3.04 +/- 0.02  91.271% * 99.4336% (0.90  10.0   3.95  54.57) =  99.993%  kept
          HA    LYS+  99 - HB3   ASN   35  13.12 +/- 4.68   2.435% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   ASN   35  10.48 +/- 1.11   2.448% *  0.0717% (0.65   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   ASN   35  13.30 +/- 2.64   1.856% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   ASN   35  15.78 +/- 3.82   1.314% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  25.24 +/- 4.37   0.236% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.91 +/- 3.49   0.138% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  25.39 +/- 3.02   0.198% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  30.89 +/- 3.33   0.106% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 54.6:
      O   HD21  ASN   35 - HB3   ASN   35   2.46 +/- 0.44  99.244% * 99.8105% (1.00  10.0   3.26  54.57) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.38 +/- 2.10   0.301% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.33 +/- 2.85   0.311% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.57 +/- 2.60   0.076% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  30.35 +/- 3.28   0.067% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.88, residual support = 51.7:
          HN    GLU-  36 - HB3   ASN   35   2.82 +/- 0.22  91.674% * 92.4602% (0.97   5.91  51.93) =  99.530%  kept
          HN    THR   39 - HB3   ASN   35   7.24 +/- 0.54   5.743% *  6.8697% (0.90   0.47   0.02) =   0.463%  kept
          HN    LYS+ 102 - HB3   ASN   35  15.20 +/- 5.96   1.523% *  0.2708% (0.84   0.02   0.02) =   0.005%
          HD1   TRP   87 - HB3   ASN   35  23.14 +/- 5.47   0.271% *  0.2993% (0.92   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   ASN   35  14.07 +/- 0.66   0.788% *  0.1001% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 54.6:
      O   HN    ASN   35 - HB3   ASN   35   2.31 +/- 0.16  99.550% * 99.9102% (0.97  10.0   5.88  54.57) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  17.42 +/- 4.14   0.450% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.6:
      O   HD22  ASN   35 - HB3   ASN   35   3.42 +/- 0.44 100.000% *100.0000% (0.99  10.0   3.26  54.57) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 6.01, residual support = 51.6:
          HN    GLU-  36 - HB2   ASN   35   3.74 +/- 0.22  76.470% * 94.9225% (0.92   6.05  51.93) =  99.315%  kept
          HN    THR   39 - HB2   ASN   35   7.28 +/- 0.56  11.282% *  4.2270% (0.53   0.47   0.02) =   0.652%  kept
          HN    LYS+ 102 - HB2   ASN   35  14.69 +/- 6.55   4.950% *  0.3393% (1.00   0.02   0.02) =   0.023%
          HN    GLU-  36 - HB2   ASN   28  12.60 +/- 0.86   2.186% *  0.0976% (0.29   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   28  18.34 +/- 5.15   1.696% *  0.1055% (0.31   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   ASN   35  23.35 +/- 5.52   0.537% *  0.1925% (0.57   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  17.78 +/- 5.93   1.584% *  0.0599% (0.18   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   ASN   28  14.81 +/- 0.84   1.296% *  0.0557% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.56, residual support = 86.3:
      O T HA    GLU-  36 - QB    GLU-  36   2.42 +/- 0.17  97.383% * 99.4140% (0.84  10.0 10.00   5.56  86.35) =  99.996%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.28 +/- 1.31   0.849% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  66 - QB    GLU-  36  18.12 +/- 3.91   0.723% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  23.01 +/- 6.00   0.361% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  26.20 +/- 4.04   0.098% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  23.98 +/- 5.52   0.161% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  20.97 +/- 3.09   0.188% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  27.69 +/- 4.00   0.089% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  29.12 +/- 4.77   0.075% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.60 +/- 3.59   0.071% *  0.0082% (0.07   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.68, residual support = 18.7:
          HN    SER   37 - QB    GLU-  36   3.19 +/- 0.40  64.734% * 91.8063% (0.45   3.71  18.89) =  98.949%  kept
          HN    LYS+  33 - QB    GLU-  36   5.61 +/- 0.60  13.645% *  4.3639% (0.28   0.28   0.02) =   0.991%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.53 +/- 0.79  16.567% *  0.0950% (0.09   0.02   0.02) =   0.026%
          HN    CYS   21 - QB    GLU-  36  15.30 +/- 1.64   0.658% *  1.0644% (0.97   0.02   0.02) =   0.012%
          HN    CYS   21 - HB3   GLU-  29  11.14 +/- 1.25   1.749% *  0.3297% (0.30   0.02   0.02) =   0.010%
          HN    SER   37 - HB3   GLU-  29  11.56 +/- 1.34   1.847% *  0.1532% (0.14   0.02   0.02) =   0.005%
          HN    ILE  119 - QB    GLU-  36  23.12 +/- 3.57   0.243% *  0.9567% (0.87   0.02   0.02) =   0.004%
          HN    ILE   89 - QB    GLU-  36  23.95 +/- 2.59   0.178% *  0.7135% (0.65   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   GLU-  29  26.37 +/- 3.36   0.165% *  0.2964% (0.27   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   GLU-  29  23.43 +/- 3.74   0.216% *  0.2210% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 7.3, residual support = 86.2:
      O   HN    GLU-  36 - QB    GLU-  36   2.15 +/- 0.18  93.064% * 96.6245% (0.69  10.0   7.31  86.35) =  99.858%  kept
          HN    THR   39 - QB    GLU-  36   6.19 +/- 0.66   4.135% *  3.0708% (0.28   1.0   1.57   0.78) =   0.141%  kept
          HN    LYS+ 102 - QB    GLU-  36  15.31 +/- 4.68   0.433% *  0.1220% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29  10.04 +/- 1.16   1.070% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.39 +/- 4.94   0.206% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.36 +/- 3.23   0.178% *  0.0351% (0.25   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.12 +/- 1.37   0.512% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  22.33 +/- 4.32   0.106% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  20.93 +/- 5.15   0.147% *  0.0135% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.44 +/- 3.75   0.149% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 4.82, residual support = 86.3:
          HN    GLU-  36 - HG2   GLU-  36   3.61 +/- 0.49  98.075% * 98.3916% (0.28   4.82  86.35) =  99.985%  kept
          HN    LYS+ 102 - HG2   GLU-  36  17.90 +/- 5.07   1.359% *  0.6584% (0.45   0.02   0.02) =   0.009%
          HN    ASP- 105 - HG2   GLU-  36  21.47 +/- 3.41   0.566% *  0.9500% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.38 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 = 0.682, support = 4.78, residual support = 85.4:
          HN    GLU-  36 - HG3   GLU-  36   3.70 +/- 0.70  80.542% * 91.1791% (0.69   4.82  86.35) =  98.927%  kept
          HN    THR   39 - HG3   GLU-  36   7.74 +/- 1.21   9.995% *  7.8716% (0.28   1.03   0.78) =   1.060%  kept
          HN    LYS+ 102 - HG3   GLU-  36  18.20 +/- 5.33   1.185% *  0.4778% (0.87   0.02   0.02) =   0.008%
          HN    GLU-  36 - QB    MET   11  15.37 +/- 3.71   4.021% *  0.0471% (0.09   0.02   0.02) =   0.003%
          HN    ASP- 105 - HG3   GLU-  36  21.54 +/- 3.65   0.529% *  0.1374% (0.25   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  26.03 +/- 4.83   0.352% *  0.1700% (0.31   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  16.27 +/- 4.08   2.151% *  0.0191% (0.03   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QB    MET   11  24.94 +/- 4.94   0.487% *  0.0595% (0.11   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  27.63 +/- 5.15   0.408% *  0.0212% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  26.84 +/- 4.15   0.330% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.05, residual support = 86.3:
      O   HN    GLU-  36 - HA    GLU-  36   2.80 +/- 0.04  98.848% * 99.6076% (0.28  10.0   6.05  86.35) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  16.75 +/- 5.63   0.867% *  0.1606% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP- 105 - HA    GLU-  36  20.57 +/- 3.48   0.285% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB2   SER   37   3.13 +/- 0.26  97.961% * 99.7690% (0.98  10.0   3.80  29.75) =  99.999%  kept
          HN    CYS   21 - HB2   SER   37  15.64 +/- 2.20   1.365% *  0.0418% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   SER   37  21.94 +/- 3.67   0.446% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.43 +/- 2.36   0.227% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.527, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  13.81 +/- 1.66  12.004% * 22.4691% (0.82   0.02   0.02) =  23.370%  kept
          HN    GLN   30 - HB3   SER   37  11.70 +/- 1.65  20.001% * 12.9780% (0.47   0.02   0.02) =  22.491%  kept
          HN    GLU-  29 - QB    SER   13  15.35 +/- 4.19  13.778% * 17.1942% (0.63   0.02   0.02) =  20.527%  kept
          HN    GLN   30 - QB    SER   13  14.19 +/- 3.53  13.447% *  9.9312% (0.36   0.02   0.02) =  11.572%  kept
          HN    VAL   18 - QB    SER   13  11.47 +/- 2.08  23.245% *  4.8772% (0.18   0.02   0.02) =   9.823%  kept
          HN    VAL   18 - HB3   SER   37  13.39 +/- 2.25  13.382% *  6.3735% (0.23   0.02   0.02) =   7.390%  kept
          HN    ASP-  86 - HB3   SER   37  26.40 +/- 4.07   2.496% * 14.8290% (0.54   0.02   0.02) =   3.207%  kept
          HN    ASP-  86 - QB    SER   13  27.70 +/- 3.20   1.648% * 11.3477% (0.41   0.02   0.02) =   1.620%  kept
    Distance limit 3.90 A violated in 19 structures by 4.99 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.62, residual support = 217.2:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  76.569% * 91.8719% (0.92  10.0   6.62 219.92) =  98.619%  kept
          HN    SER   37 - HA    LYS+  38   4.10 +/- 0.15  12.255% *  8.0325% (0.25   1.0   6.47  20.63) =   1.380%  kept
          HN    LYS+  38 - HA    GLU- 100  10.13 +/- 6.99   6.334% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.20 +/- 0.96   0.897% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  29.03 +/- 4.61   0.087% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100  11.20 +/- 6.66   2.613% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.53 +/- 2.54   0.128% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  13.10 +/- 4.49   0.962% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.56 +/- 3.02   0.112% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.75 +/- 2.96   0.043% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.922, support = 6.41, residual support = 23.5:
      O   HN    THR   39 - HA    LYS+  38   3.04 +/- 0.16  55.985% * 91.8494% (0.92  10.0   6.49  23.80) =  98.383%  kept
          HN    GLU-  36 - HA    LYS+  38   5.37 +/- 0.27  10.559% *  7.4450% (0.95   1.0   1.58   2.40) =   1.504%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.38 +/- 0.69  11.620% *  0.4789% (0.05   1.0   1.99   0.02) =   0.106%  kept
          HN    LYS+ 102 - HA    LYS+  38  12.52 +/- 5.85   2.295% *  0.0797% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   9.38 +/- 6.63  14.180% *  0.0056% (0.06   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    GLU- 100  12.03 +/- 6.33   3.327% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  22.44 +/- 4.43   0.186% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.09 +/- 1.08   0.397% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.29 +/- 4.51   1.196% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  20.00 +/- 3.95   0.254% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.24, residual support = 20.6:
          HN    SER   37 - HB2   LYS+  38   4.63 +/- 0.18  96.846% * 99.1999% (1.00   5.24  20.63) =  99.993%  kept
          HN    ILE  119 - HB2   LYS+  38  23.44 +/- 2.75   0.946% *  0.3041% (0.80   0.02   0.02) =   0.003%
          HN    ILE   89 - HB2   LYS+  38  26.00 +/- 2.87   0.600% *  0.3665% (0.97   0.02   0.02) =   0.002%
          HN    CYS   21 - HB2   LYS+  38  19.08 +/- 2.05   1.608% *  0.1295% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.83 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.506, support = 5.4, residual support = 20.8:
          HN    THR   39 - HB2   LYS+  38   4.35 +/- 0.19  68.145% * 69.7619% (0.45   6.05  23.80) =  86.132%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.20 +/- 0.45  25.861% * 29.4840% (0.87   1.32   2.40) =  13.815%  kept
          HN    LYS+ 102 - HB2   LYS+  38  14.22 +/- 6.15   5.530% *  0.5039% (0.98   0.02   0.02) =   0.050%
          HD1   TRP   87 - HB2   LYS+  38  24.73 +/- 4.29   0.464% *  0.2502% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.40 A violated in 0 structures by 0.85 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.752, support = 5.74, residual support = 197.1:
          HN    LYS+  38 - HG2   LYS+  38   3.44 +/- 0.34  64.451% * 71.6526% (0.80   5.85 219.92) =  88.531%  kept
          HN    SER   37 - HG2   LYS+  38   5.00 +/- 0.20  21.320% * 28.0300% (0.38   4.88  20.63) =  11.456%  kept
          HN    LYS+  38 - HG2   LYS+  99  10.91 +/- 5.92   6.337% *  0.0668% (0.22   0.02   0.02) =   0.008%
          HN    SER   37 - HG2   LYS+  99  12.00 +/- 5.81   6.768% *  0.0313% (0.10   0.02   0.02) =   0.004%
          HN    ARG+  54 - HG2   LYS+  38  30.19 +/- 5.22   0.344% *  0.1043% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG2   LYS+  38  25.18 +/- 3.19   0.212% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  20.75 +/- 3.26   0.387% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.14 +/- 3.06   0.181% *  0.0284% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.74, support = 5.75, residual support = 191.5:
          HN    LYS+  38 - HG3   LYS+  38   4.32 +/- 0.18  59.258% * 69.6390% (0.80   5.81 219.92) =  85.727%  kept
          HN    SER   37 - HG3   LYS+  38   5.96 +/- 0.22  22.784% * 30.1379% (0.38   5.37  20.63) =  14.265%  kept
          HN    LYS+  38 - HG3   LYS+  99  11.26 +/- 5.58   8.319% *  0.0250% (0.08   0.02   0.02) =   0.004%
          HN    SER   37 - HG3   LYS+  99  12.32 +/- 5.47   7.413% *  0.0117% (0.04   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG3   LYS+  38  30.59 +/- 5.42   0.649% *  0.1021% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  38  25.68 +/- 3.28   0.333% *  0.0666% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  20.47 +/- 3.39   0.915% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.65 +/- 3.18   0.328% *  0.0107% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.73, residual support = 36.7:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.04  75.976% * 94.9446% (0.97  10.0   3.73  36.81) =  99.085%  kept
          HN    LYS+ 102 - HA    ILE  103   5.05 +/- 0.26  14.264% *  4.6329% (0.24   1.0   3.93  23.36) =   0.908%  kept
          HN    GLU-  36 - HA    THR   39   8.29 +/- 0.55   3.314% *  0.0882% (0.90   1.0   0.02   0.78) =   0.004%
          HN    LYS+ 102 - HA    THR   39  12.66 +/- 5.02   1.696% *  0.0714% (0.73   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    ILE  103  13.95 +/- 3.90   0.948% *  0.0314% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  14.87 +/- 4.22   0.852% *  0.0319% (0.32   1.0   0.02   0.42) =   0.000%
          HD1   TRP   87 - HA    THR   39  21.35 +/- 3.68   0.258% *  0.0964% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.19 +/- 1.94   0.509% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.63 +/- 4.45   1.167% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  16.95 +/- 4.00   0.506% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  24.83 +/- 1.96   0.127% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.61 +/- 2.26   0.383% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.31, residual support = 24.5:
      O   HN    LEU   40 - HA    THR   39   2.28 +/- 0.09  92.920% * 99.8247% (0.57  10.0   4.31  24.46) =  99.996%  kept
          HN    GLY  101 - HA    THR   39  11.16 +/- 5.07   1.711% *  0.1069% (0.61   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    ILE  103   6.48 +/- 0.70   4.439% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  12.05 +/- 3.81   0.930% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 3.7, residual support = 36.8:
      O   HN    THR   39 - HB    THR   39   2.70 +/- 0.46  90.626% * 99.6727% (0.97  10.0   3.70  36.81) =  99.992%  kept
          HN    GLU-  36 - HB    THR   39   7.60 +/- 0.76   4.472% *  0.0926% (0.90   1.0   0.02   0.78) =   0.005%
          HN    LYS+ 102 - HB    THR   39  13.20 +/- 5.14   3.382% *  0.0750% (0.73   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HB    THR   39  15.14 +/- 2.42   1.092% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    THR   39  21.16 +/- 3.52   0.280% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  24.76 +/- 1.58   0.148% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 24.5:
          HN    LEU   40 - HB    THR   39   4.03 +/- 0.55  78.290% * 99.9151% (0.98   4.20  24.46) =  99.976%  kept
          HN    GLY  101 - HB    THR   39  11.64 +/- 5.24  21.710% *  0.0849% (0.18   0.02   0.02) =   0.024%
    Distance limit 3.89 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.58, support = 0.165, residual support = 0.154:
          HN    LEU   71 - QG2   THR   39   5.07 +/- 2.39  40.960% * 49.6175% (0.60   0.18   0.17) =  91.415%  kept
          HN    GLU- 114 - QB    ALA   91  11.44 +/- 2.85   9.174% *  3.7336% (0.40   0.02   0.02) =   1.541%  kept
          HN    GLN  116 - QB    ALA   91  12.53 +/- 2.39   5.797% *  3.1816% (0.34   0.02   0.02) =   0.830%  kept
          HN    THR  118 - QG2   THR   39  16.79 +/- 2.77   4.014% *  4.5667% (0.49   0.02   0.02) =   0.825%  kept
          HN    THR  118 - QG2   THR   23  21.67 +/- 4.65   5.887% *  2.5626% (0.28   0.02   0.02) =   0.679%  kept
          HN    GLN  116 - QG2   THR   39  18.68 +/- 2.46   2.186% *  6.7375% (0.72   0.02   0.02) =   0.662%  kept
          HN    GLU- 114 - QG2   THR   39  20.48 +/- 2.72   1.745% *  7.9065% (0.85   0.02   0.02) =   0.621%  kept
          HN    LEU   71 - QG2   THR   23  15.30 +/- 1.65   4.115% *  3.1091% (0.33   0.02   0.02) =   0.575%  kept
          HN    THR  118 - QB    ALA   91  13.35 +/- 2.57   5.801% *  2.1565% (0.23   0.02   0.02) =   0.563%  kept
          HN    GLU- 114 - QG2   THR   23  23.71 +/- 4.44   2.779% *  4.4367% (0.48   0.02   0.02) =   0.555%  kept
          HN    GLN  116 - QG2   THR   23  22.08 +/- 4.38   3.227% *  3.7807% (0.41   0.02   0.02) =   0.549%  kept
          HN    PHE   60 - QG2   THR   39  15.37 +/- 2.12   3.035% *  2.7514% (0.30   0.02   0.02) =   0.376%  kept
          HN    PHE   60 - QB    ALA   91  14.14 +/- 2.47   5.283% *  1.2993% (0.14   0.02   0.02) =   0.309%  kept
          HN    PHE   60 - QG2   THR   23  17.91 +/- 3.29   4.216% *  1.5440% (0.17   0.02   0.02) =   0.293%  kept
          HN    LEU   71 - QB    ALA   91  19.19 +/- 2.40   1.780% *  2.6164% (0.28   0.02   0.02) =   0.209%  kept
    Distance limit 3.44 A violated in 8 structures by 1.64 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 4.11, residual support = 24.5:
          HN    LEU   40 - QG2   THR   39   3.13 +/- 0.78  98.270% * 99.4998% (0.66   4.11  24.46) =  99.995%  kept
          HN    LEU   40 - QG2   THR   23  16.92 +/- 2.07   1.174% *  0.2716% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  20.46 +/- 1.99   0.556% *  0.2286% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.591, support = 3.1, residual support = 14.3:
      O   HN    ALA   91 - QB    ALA   91   2.35 +/- 0.20  48.946% * 88.5178% (0.61  10.0   3.07  12.79) =  93.367%  kept
          HN    THR   39 - QG2   THR   39   3.06 +/- 0.65  30.336% *  9.9249% (0.38   1.0   3.60  36.81) =   6.488%  kept
          HN    TRP   27 - QG2   THR   23   4.79 +/- 0.82   9.246% *  0.6866% (0.10   1.0   0.97   1.22) =   0.137%  kept
          HD1   TRP   87 - QB    ALA   91   9.61 +/- 1.08   0.825% *  0.1115% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   THR   39   7.06 +/- 1.03   2.119% *  0.0259% (0.18   1.0   0.02   0.78) =   0.001%
          HN    LYS+ 102 - QG2   THR   39  11.07 +/- 4.15   3.498% *  0.0153% (0.11   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QG2   THR   39  12.73 +/- 2.07   0.414% *  0.0636% (0.44   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   91  11.17 +/- 1.46   0.636% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.81 +/- 2.31   0.288% *  0.0768% (0.53   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  19.49 +/- 2.90   0.099% *  0.1347% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.46 +/- 1.99   0.266% *  0.0363% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  17.38 +/- 3.17   0.180% *  0.0527% (0.36   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.64 +/- 1.93   0.058% *  0.1169% (0.80   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.44 +/- 3.50   0.347% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  14.88 +/- 3.79   0.484% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.55 +/- 4.15   1.140% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  20.23 +/- 2.17   0.089% *  0.0418% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.74 +/- 1.87   0.092% *  0.0325% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.85 +/- 2.07   0.043% *  0.0548% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.73 +/- 1.65   0.144% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.39 +/- 2.97   0.201% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  19.14 +/- 3.09   0.115% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.94 +/- 1.04   0.162% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.26 +/- 4.68   0.272% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 3.12, residual support = 9.23:
          HN    MET   92 - QB    ALA   91   3.02 +/- 0.32  77.454% * 96.5934% (0.87   3.13   9.24) =  99.913%  kept
          HN    THR   46 - QB    ALA   91   8.90 +/- 1.58   5.025% *  0.6981% (0.98   0.02   0.02) =   0.047%
          HN    LYS+ 112 - QB    ALA   91  10.69 +/- 2.88   3.730% *  0.2429% (0.34   0.02   0.02) =   0.012%
          HN    LYS+  74 - QG2   THR   39  11.38 +/- 2.15   2.445% *  0.2917% (0.41   0.02   0.02) =   0.010%
          HN    LYS+  74 - QB    ALA   91  16.11 +/- 2.43   0.640% *  0.6178% (0.87   0.02   0.02) =   0.005%
          HN    LYS+  74 - QG2   THR   23   8.86 +/- 1.76   4.237% *  0.0650% (0.09   0.02   0.02) =   0.004%
          HN    THR   46 - QG2   THR   39  16.62 +/- 1.06   0.517% *  0.3297% (0.46   0.02   0.02) =   0.002%
          HN    MET   11 - QG2   THR   39  16.18 +/- 3.99   0.847% *  0.1769% (0.25   0.02   0.02) =   0.002%
          HN    MET   11 - QG2   THR   23  17.78 +/- 5.98   2.755% *  0.0394% (0.06   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   39  21.15 +/- 2.59   0.284% *  0.2917% (0.41   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  14.67 +/- 3.23   0.988% *  0.0734% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  21.56 +/- 2.98   0.442% *  0.1147% (0.16   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  31.47 +/- 4.44   0.087% *  0.3747% (0.53   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  19.93 +/- 2.90   0.334% *  0.0650% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.65 +/- 3.65   0.213% *  0.0255% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.656, support = 5.11, residual support = 79.4:
          HA    LEU   40 - QD2   LEU   40   2.61 +/- 0.56  56.750% * 62.9299% (0.61   6.00 103.86) =  74.111%  kept
          HA    LYS+  99 - QD2   LEU   40   5.08 +/- 4.49  35.100% * 35.4877% (0.80   2.56   9.41) =  25.849%  kept
          HA    ASN   35 - QD2   LEU   40   8.89 +/- 1.27   1.975% *  0.3190% (0.92   0.02   0.02) =   0.013%
          HA    LEU  123 - QD2   LEU   40  12.93 +/- 4.67   1.664% *  0.3425% (0.99   0.02   0.02) =   0.012%
          HA    GLU-  15 - QD2   LEU   40  11.34 +/- 2.73   2.166% *  0.1421% (0.41   0.02   0.02) =   0.006%
          HA    ILE   56 - QD2   LEU   40  16.03 +/- 2.91   0.472% *  0.3269% (0.95   0.02   0.02) =   0.003%
          HA    PRO   58 - QD2   LEU   40  13.89 +/- 2.59   0.944% *  0.1549% (0.45   0.02   0.02) =   0.003%
          HA    SER   13 - QD2   LEU   40  15.51 +/- 2.98   0.503% *  0.1421% (0.41   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD2   LEU   40  16.55 +/- 2.34   0.425% *  0.1549% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.979, support = 4.47, residual support = 101.9:
          HA    LEU   40 - QD1   LEU   40   3.74 +/- 0.27  46.652% * 90.5300% (0.99   4.56 103.86) =  98.057%  kept
          HA    LYS+  99 - QD1   LEU   40   7.01 +/- 3.80  16.956% *  2.6649% (0.31   0.43   9.41) =   1.049%  kept
          HA    LEU  123 - QD1   LEU   40  12.39 +/- 4.84   6.795% *  3.8653% (0.61   0.32   0.02) =   0.610%  kept
          HA    SER   37 - QD1   LEU   40   9.66 +/- 1.58   4.620% *  1.2014% (0.31   0.19   0.70) =   0.129%  kept
          HA    GLU-  15 - QD1   LEU   40   9.97 +/- 2.82  10.019% *  0.3596% (0.90   0.02   0.02) =   0.084%
          HA    ASN   35 - QD1   LEU   40   9.39 +/- 1.35   4.139% *  0.1797% (0.45   0.02   0.02) =   0.017%
          HA    PRO   58 - QD1   LEU   40  13.07 +/- 2.33   1.896% *  0.3701% (0.92   0.02   0.02) =   0.016%
          HA    SER   13 - QD1   LEU   40  14.24 +/- 2.70   1.539% *  0.3596% (0.90   0.02   0.02) =   0.013%
          HA    GLN   17 - QD1   LEU   40   9.08 +/- 2.13   4.432% *  0.1237% (0.31   0.02   0.02) =   0.013%
          HA    ILE   56 - QD1   LEU   40  15.43 +/- 2.95   1.770% *  0.1951% (0.49   0.02   0.02) =   0.008%
          HA    THR   46 - QD1   LEU   40  14.19 +/- 1.80   1.181% *  0.1505% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 0.358, residual support = 0.326:
        T HB3   HIS  122 - QD1   LEU   40   9.62 +/- 4.97  26.699% * 94.9134% (0.69 10.00   0.36   0.34) =  94.723%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.62 +/- 4.08  32.061% *  4.1484% (0.34  1.00   0.32   0.02) =   4.971%  kept
          HB3   ASP-  78 - QD1   LEU   40  18.44 +/- 1.35   5.150% *  0.6862% (0.90  1.00   0.02   0.02) =   0.132%  kept
          QE    LYS+  74 - QD1   LEU   40  10.73 +/- 1.19  23.284% *  0.1340% (0.18  1.00   0.02   0.02) =   0.117%  kept
          QB    CYS   50 - QD1   LEU   40  15.73 +/- 2.62  12.806% *  0.1181% (0.15  1.00   0.02   0.02) =   0.057%
    Distance limit 3.80 A violated in 12 structures by 2.96 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.92, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   8.92 +/- 1.88  40.683% * 27.6510% (1.00   0.02   0.02) =  44.573%  kept
          QD    PHE   59 - QD1   LEU   40  10.20 +/- 1.72  32.654% * 23.0961% (0.84   0.02   0.02) =  29.883%  kept
          HD1   TRP   27 - QD1   LEU   40  12.75 +/- 2.42  17.228% * 23.0961% (0.84   0.02   0.02) =  15.766%  kept
          HH2   TRP   49 - QD1   LEU   40  19.31 +/- 4.23   9.435% * 26.1568% (0.95   0.02   0.02) =   9.778%  kept
    Distance limit 3.84 A violated in 20 structures by 3.99 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.915, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.64 +/- 1.95  39.304% * 27.6510% (1.00   0.02   0.02) =  43.286%  kept
          QD    PHE   59 - QD2   LEU   40  10.51 +/- 1.79  34.961% * 23.0961% (0.84   0.02   0.02) =  32.161%  kept
          HD1   TRP   27 - QD2   LEU   40  12.74 +/- 2.21  18.527% * 23.0961% (0.84   0.02   0.02) =  17.043%  kept
          HH2   TRP   49 - QD2   LEU   40  19.64 +/- 3.69   7.209% * 26.1568% (0.95   0.02   0.02) =   7.510%  kept
    Distance limit 3.65 A violated in 20 structures by 4.70 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.66, residual support = 20.7:
          HN    VAL   41 - QD2   LEU   40   2.68 +/- 0.82 100.000% *100.0000% (0.73   4.66  20.66) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.57, residual support = 9.06:
          HN    LEU   98 - QD2   LEU   40   4.84 +/- 3.60 100.000% *100.0000% (0.97   4.57   9.06) = 100.000%  kept
    Distance limit 3.61 A violated in 3 structures by 1.55 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.78, residual support = 103.9:
      O   HN    LEU   40 - HB3   LEU   40   2.85 +/- 0.34  90.628% * 99.9683% (0.98  10.0   4.78 103.86) =  99.998%  kept
          HN    GLY  101 - HB3   LEU   40  10.28 +/- 4.95   8.733% *  0.0179% (0.18   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HB3   LEU  115  19.85 +/- 2.65   0.394% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.60 +/- 1.67   0.245% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 4.93, residual support = 103.9:
      O   HN    LEU   40 - HB2   LEU   40   2.38 +/- 0.36  98.004% * 99.9908% (0.76  10.0   4.93 103.86) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67  10.16 +/- 2.10   1.996% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.8, support = 3.99, residual support = 35.9:
          QG2   VAL   70 - HB2   LEU   40   4.17 +/- 1.22  51.893% * 99.9538% (0.80   3.99  35.94) =  99.957%  kept
          QG2   VAL   70 - HB2   LEU   67   4.42 +/- 1.51  48.107% *  0.0462% (0.07   0.02   0.28) =   0.043%
    Distance limit 3.59 A violated in 5 structures by 0.78 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.9:
        T QG2   VAL   70 - HB3   LEU   40   4.69 +/- 0.66  91.555% * 99.8828% (0.98 10.00   3.99  35.94) =  99.989%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.53 +/- 2.11   8.445% *  0.1172% (0.12 10.00   0.02   0.02) =   0.011%
    Distance limit 3.74 A violated in 3 structures by 0.95 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.227, support = 4.96, residual support = 93.8:
      O T HA    LEU   40 - HG    LEU   40   3.23 +/- 0.52  44.804% * 66.3674% (0.18  10.0 10.00   5.43 103.86) =  89.921%  kept
          HA    ASP- 113 - HG    LEU  115   6.44 +/- 1.55  15.788% *  9.8239% (0.53   1.0  1.00   0.97   0.02) =   4.690%  kept
          HA    LYS+  99 - HG    LEU   40   7.31 +/- 5.10  12.936% *  9.7781% (0.98   1.0  1.00   0.53   9.41) =   3.825%  kept
          HA    ILE   56 - HG    LEU  115   7.73 +/- 2.02   7.009% *  5.0167% (0.50   1.0  1.00   0.53   0.11) =   1.063%  kept
          HA    PHE   59 - HG    LEU  115   6.67 +/- 1.28   7.471% *  1.4336% (0.20   1.0  1.00   0.38  29.70) =   0.324%  kept
        T HA    ASN   35 - HG    LEU   40  10.66 +/- 1.31   1.341% *  3.3986% (0.90   1.0 10.00   0.02   0.02) =   0.138%  kept
          HA    LEU  123 - HG    LEU   40  15.65 +/- 5.42   0.931% *  0.2896% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T HA    ASN   35 - HG    LEU  115  24.74 +/- 2.53   0.104% *  1.9677% (0.52   1.0 10.00   0.02   0.02) =   0.006%
          HA    LEU  123 - HG    LEU  115  14.01 +/- 1.19   0.623% *  0.1677% (0.44   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - HG    LEU  115  18.01 +/- 2.07   0.268% *  0.3842% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   59 - HG    LEU   40  14.01 +/- 2.54   0.790% *  0.1293% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HG    LEU   40  19.09 +/- 3.39   0.309% *  0.3287% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HG    LEU   73  13.20 +/- 3.73   1.376% *  0.0693% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   40  20.29 +/- 2.79   0.209% *  0.3498% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU   73  13.82 +/- 2.82   0.914% *  0.0634% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  115  18.70 +/- 1.54   0.245% *  0.2151% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG    LEU   73  19.24 +/- 3.18   0.556% *  0.0613% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  10.87 +/- 2.31   2.721% *  0.0124% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG    LEU   73  22.46 +/- 4.49   0.473% *  0.0652% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HG    LEU   73  15.63 +/- 2.19   0.926% *  0.0241% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  21.42 +/- 3.06   0.207% *  0.0540% (0.14   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.961, support = 6.28, residual support = 35.1:
        T QG2   VAL   70 - HG    LEU   40   3.16 +/- 1.01  84.906% * 83.8767% (0.98 10.00   6.37  35.94) =  97.543%  kept
        T QG2   VAL   70 - HG    LEU   73   7.97 +/- 0.96  11.356% * 15.6376% (0.18 10.00   2.43   0.67) =   2.432%  kept
        T QG2   VAL   70 - HG    LEU  115  11.89 +/- 1.59   3.738% *  0.4856% (0.57 10.00   0.02   0.02) =   0.025%
    Distance limit 3.48 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.18, residual support = 35.9:
          QG2   VAL   70 - QD1   LEU   40   2.51 +/- 0.66 100.000% *100.0000% (0.80   4.18  35.94) = 100.000%  kept
    Distance limit 2.94 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.4, residual support = 35.9:
          QG2   VAL   70 - QD2   LEU   40   3.79 +/- 0.84 100.000% *100.0000% (0.53   4.40  35.94) = 100.000%  kept
    Distance limit 3.26 A violated in 2 structures by 0.65 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   9.35 +/- 2.22 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.64 A violated in 20 structures by 6.71 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.771, support = 4.9, residual support = 103.8:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  55.048% * 41.2108% (0.65  10.0 10.00   4.12 103.86) =  50.261%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.48 +/- 0.46  39.271% * 57.1322% (0.90  10.0  1.00   5.70 103.86) =  49.709%  kept
        T HG    LEU   73 - QD2   LEU   40   9.43 +/- 2.14   1.317% *  0.6731% (0.20   1.0 10.00   0.11   0.02) =   0.020%
        T HG    LEU  115 - QD2   LEU   40  12.96 +/- 1.82   0.327% *  0.6356% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   67 - QD2   LEU   40   8.62 +/- 2.26   2.228% *  0.0487% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - QD2   LEU   40  12.10 +/- 1.77   0.423% *  0.1771% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD2   LEU   40  11.39 +/- 2.89   0.561% *  0.0636% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD2   LEU   40  13.36 +/- 2.26   0.289% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40  11.04 +/- 3.64   0.535% *  0.0177% (0.28   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 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.257, support = 2.16, residual support = 9.37:
        T HB2   LYS+  99 - QD2   LEU   40   5.16 +/- 4.52  37.098% * 55.8036% (0.28 10.00   2.32   9.41) =  60.770%  kept
        T HB3   LYS+  99 - QD2   LEU   40   5.60 +/- 4.79  30.650% * 43.1500% (0.22 10.00   1.93   9.41) =  38.823%  kept
          HB    VAL   43 - QD2   LEU   40   8.51 +/- 1.15  15.673% *  0.8318% (0.38  1.00   0.22   0.02) =   0.383%  kept
          QG1   ILE   56 - QD2   LEU   40  12.61 +/- 2.72  12.206% *  0.0310% (0.15  1.00   0.02   0.02) =   0.011%
          HB    ILE   89 - QD2   LEU   40  14.64 +/- 2.22   2.723% *  0.1217% (0.61  1.00   0.02   0.02) =   0.010%
          QD    LYS+  81 - QD2   LEU   40  19.37 +/- 2.29   1.650% *  0.0619% (0.31  1.00   0.02   0.02) =   0.003%
    Distance limit 3.08 A violated in 3 structures by 1.07 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.383, support = 0.02, residual support = 0.152:
          HB2   HIS  122 - QD2   LEU   40   9.66 +/- 4.79  42.797% * 19.5836% (0.31   0.02   0.34) =  40.942%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.59 +/- 2.13  12.743% * 35.9222% (0.57   0.02   0.02) =  22.361%  kept
          HB2   HIS   22 - QD2   LEU   40  16.91 +/- 2.26  11.549% * 33.3822% (0.53   0.02   0.02) =  18.833%  kept
          HA    LEU   63 - QD2   LEU   40   9.96 +/- 2.13  32.910% * 11.1120% (0.18   0.02   0.02) =  17.864%  kept
    Distance limit 3.60 A violated in 16 structures by 3.90 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.711, support = 2.81, residual support = 8.49:
          QE    LYS+  99 - QD2   LEU   40   5.10 +/- 3.99  61.415% * 81.8438% (0.69   3.08   9.41) =  89.398%  kept
          QE    LYS+  38 - QD2   LEU   40   7.79 +/- 2.11  34.092% * 17.3838% (0.92   0.49   0.76) =  10.541%  kept
          QE    LYS+ 102 - QD2   LEU   40  10.53 +/- 3.14   4.492% *  0.7724% (1.00   0.02   0.02) =   0.062%
    Distance limit 4.03 A violated in 1 structures by 0.21 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 1.1, residual support = 1.31:
        T HB3   PHE   97 - QD2   LEU   40   5.91 +/- 3.68  42.903% * 90.8401% (0.84 10.00   1.11   1.38) =  95.316%  kept
          HB2   GLU- 100 - QD2   LEU   40   8.77 +/- 4.54  21.599% *  8.7081% (0.99  1.00   0.90   0.02) =   4.600%  kept
          QG    GLN   32 - QD2   LEU   40  11.64 +/- 1.75  16.080% *  0.0667% (0.34  1.00   0.02   0.02) =   0.026%
          HB2   GLN  116 - QD2   LEU   40  15.16 +/- 2.25   5.388% *  0.1851% (0.95  1.00   0.02   0.02) =   0.024%
          QG    GLU-  79 - QD2   LEU   40  15.27 +/- 2.17   6.380% *  0.1266% (0.65  1.00   0.02   0.02) =   0.020%
          HB2   PRO   58 - QD2   LEU   40  14.65 +/- 2.90   7.650% *  0.0734% (0.38  1.00   0.02   0.02) =   0.014%
    Distance limit 4.30 A violated in 5 structures by 1.72 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.38, residual support = 103.8:
      O T HB2   LEU   40 - QD1   LEU   40   2.39 +/- 0.35  83.332% * 99.2435% (0.84  10.0 10.00   4.39 103.86) =  99.952%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.59 +/- 2.12   6.980% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.041%
          HB    VAL   18 - QD1   LEU   40   8.86 +/- 1.61   2.822% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ARG+  54 - QD1   LEU   40  18.46 +/- 4.84   1.238% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  14 - QD1   LEU   40  12.47 +/- 3.23   4.044% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   96 - QD1   LEU   40   9.84 +/- 1.66   1.584% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 5.42, residual support = 103.6:
      O   HB2   LEU   40 - QD2   LEU   40   2.92 +/- 0.32  85.398% * 96.6350% (0.34  10.0  1.00   5.44 103.86) =  99.724%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.12 +/- 2.03   8.459% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.260%  kept
          HB    VAL   18 - QD2   LEU   40  10.31 +/- 1.53   2.421% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.008%
          HB3   ARG+  54 - QD2   LEU   40  19.26 +/- 4.37   1.395% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU  115 - QD2   LEU   40  13.63 +/- 2.22   1.357% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD2   LEU   40  16.06 +/- 2.80   0.971% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.758, support = 4.52, residual support = 103.8:
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  58.567% * 41.4524% (0.65  10.0  1.00   4.41 103.86) =  55.217%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.64 +/- 0.40  34.229% * 57.4671% (0.90  10.0 10.00   4.68 103.86) =  44.739%  kept
        T HG    LEU   67 - QD1   LEU   40   7.35 +/- 2.00   3.416% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.038%
        T HB3   LEU  115 - QD1   LEU   40  13.48 +/- 2.47   0.332% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU   40  11.40 +/- 2.98   0.752% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  12.94 +/- 1.87   0.348% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   8.83 +/- 2.17   1.502% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.16 +/- 1.79   0.530% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  12.91 +/- 2.88   0.324% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.95, support = 4.38, residual support = 101.5:
      O T QD1   LEU   40 - HB2   LEU   40   2.39 +/- 0.35  54.904% * 92.1745% (1.00  10.0 10.00   4.39 103.86) =  94.532%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.82 +/- 0.42  38.341% *  7.6201% (0.08  10.0  1.00   4.26  60.58) =   5.457%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.59 +/- 2.12   4.389% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   67 - HB2   LEU   40   8.61 +/- 2.01   2.108% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  108 - HB2   LEU   40  18.27 +/- 2.08   0.127% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  18.18 +/- 1.83   0.132% *  0.0032% (0.03   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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.68, residual support = 103.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.64 +/- 0.40  89.647% * 99.7412% (1.00  10.0 10.00   4.68 103.86) =  99.994%  kept
          QD2   LEU   67 - HB3   LEU   40   9.22 +/- 1.74   3.869% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   40 - HB3   LEU  115  13.48 +/- 2.47   1.197% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HB3   LEU  115   9.29 +/- 1.68   3.547% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.91 +/- 2.18   0.387% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  13.64 +/- 2.67   1.353% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.863, support = 4.1, residual support = 103.2:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  58.165% * 88.0726% (0.87  10.0 10.00   4.12 103.86) =  99.307%  kept
          QD2   LEU   71 - HG    LEU   40   5.96 +/- 1.95  11.479% *  1.2004% (0.18   1.0  1.00   1.35   1.87) =   0.267%  kept
          QD1   ILE  119 - HG    LEU  115   4.90 +/- 1.19   8.351% *  1.1757% (0.10   1.0  1.00   2.28   7.18) =   0.190%  kept
        T QD1   LEU   67 - HG    LEU   73   9.53 +/- 1.55   0.880% *  6.2340% (0.16   1.0 10.00   0.79   0.02) =   0.106%  kept
        T QD1   LEU   67 - HG    LEU   40   7.19 +/- 2.29   6.253% *  0.8481% (0.84   1.0 10.00   0.02   0.02) =   0.103%  kept
        T QD1   LEU   67 - HG    LEU  115  11.59 +/- 2.44   0.740% *  0.4910% (0.48   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU   40 - HG    LEU   73   9.43 +/- 2.14   1.256% *  0.1642% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  74 - HG    LEU  115  16.32 +/- 3.44   0.564% *  0.3565% (0.35   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   40 - HG    LEU  115  12.96 +/- 1.82   0.383% *  0.5099% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  74 - HG    LEU   40  14.66 +/- 1.86   0.217% *  0.6158% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - HG    LEU   40   9.79 +/- 2.76   0.901% *  0.0737% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG    LEU   73  12.87 +/- 3.44   3.117% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   40  11.99 +/- 1.17   0.357% *  0.0881% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU  115  12.59 +/- 2.24   0.519% *  0.0510% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.84 +/- 1.05   1.396% *  0.0164% (0.16   1.0  1.00   0.02   1.79) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.38 +/- 1.32   1.852% *  0.0115% (0.11   1.0  1.00   0.02  41.48) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.03 +/- 1.58   0.385% *  0.0427% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  12.46 +/- 2.56   0.515% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.61 +/- 1.12   1.593% *  0.0033% (0.03   1.0  1.00   0.02   1.01) =   0.000%
          QD2   LEU   71 - HG    LEU  115  15.57 +/- 3.25   0.344% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.56 +/- 2.55   0.732% *  0.0033% (0.03   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.863, support = 3.92, residual support = 74.9:
      O T QG2   VAL   41 - QG1   VAL   41   2.07 +/- 0.04  45.664% * 93.6437% (0.87  10.0 10.00   3.98  76.02) =  98.013%  kept
          QD2   LEU   98 - QG1   VAL   41   4.62 +/- 2.82  20.647% *  3.9357% (0.69   1.0  1.00   1.06  22.02) =   1.863%  kept
        T QD1   LEU   73 - QG1   VAL   41   6.60 +/- 2.54   6.253% *  0.3332% (0.31   1.0 10.00   0.02   0.02) =   0.048%
        T QG2   VAL   41 - QG2   VAL   18   8.48 +/- 2.16   1.439% *  0.7157% (0.66   1.0 10.00   0.02   0.02) =   0.024%
        T QD1   LEU   73 - QG2   VAL   18   6.77 +/- 2.36   3.153% *  0.2546% (0.24   1.0 10.00   0.02   0.94) =   0.018%
        T QD1   LEU   63 - QG2   VAL   18   7.16 +/- 1.51   1.805% *  0.2546% (0.24   1.0 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   63 - QG1   VAL   41   9.53 +/- 2.41   0.881% *  0.3332% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T QG2   VAL   41 - QD2   LEU  104   7.02 +/- 2.36   3.318% *  0.0503% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QG1   VAL   41   8.91 +/- 2.35   1.711% *  0.0968% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QG2   VAL   18   6.73 +/- 1.51   2.136% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   98 - QD2   LEU  104   5.72 +/- 0.81   2.770% *  0.0398% (0.04   1.0 10.00   0.02  10.64) =   0.003%
          QD2   LEU   63 - QD2   LEU  104  10.28 +/- 3.24   6.990% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - QG2   VAL   18  10.70 +/- 2.54   0.589% *  0.0567% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG1   VAL   41  13.95 +/- 4.65   0.396% *  0.0742% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG2   VAL   18  12.53 +/- 4.00   0.411% *  0.0567% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QD2   LEU  104  10.90 +/- 2.75   0.998% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.24 +/- 2.62   0.689% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.54 +/- 3.59   0.149% *  0.0398% (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 = 0.212, support = 1.33, residual support = 7.15:
          QB    ALA   34 - QG2   VAL   41   3.92 +/- 2.03  58.442% * 41.0825% (0.18   1.51   8.48) =  84.222%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.87 +/- 2.84  22.027% * 10.1424% (0.20   0.33   0.02) =   7.837%  kept
          QB    ALA   88 - QG2   VAL   41  12.48 +/- 2.29   4.660% * 43.5826% (0.61   0.46   0.02) =   7.125%  kept
          QG2   THR   77 - QG2   VAL   41  11.41 +/- 0.86   3.972% *  2.9372% (0.95   0.02   0.02) =   0.409%  kept
          HG2   LYS+  38 - QG2   VAL   41   8.97 +/- 1.09   6.729% *  0.8633% (0.28   0.02   0.02) =   0.204%  kept
          QG2   THR   23 - QG2   VAL   41  11.56 +/- 2.79   4.170% *  1.3921% (0.45   0.02   0.02) =   0.204%  kept
    Distance limit 3.25 A violated in 5 structures by 0.78 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.343, support = 2.33, residual support = 21.9:
        T QB    LEU   98 - QG2   VAL   41   4.74 +/- 2.37  33.719% * 95.1120% (0.34 10.00   2.35  22.02) =  99.420%  kept
          HG12  ILE   19 - QG2   VAL   41   8.29 +/- 3.71  18.977% *  0.2782% (1.00  1.00   0.02   0.02) =   0.164%  kept
        T HB2   LEU   80 - QG2   VAL   41  14.35 +/- 4.11   2.049% *  2.2327% (0.80 10.00   0.02   0.02) =   0.142%  kept
          HB3   LYS+  74 - QG2   VAL   41  10.23 +/- 2.46   4.187% *  0.9029% (0.61  1.00   0.11   0.02) =   0.117%  kept
          HG    LEU   73 - QG2   VAL   41   6.55 +/- 3.17  24.377% *  0.0861% (0.31  1.00   0.02   0.02) =   0.065%
          HB3   LEU   67 - QG2   VAL   41   9.99 +/- 1.63   4.316% *  0.1915% (0.69  1.00   0.02   0.02) =   0.026%
          HG    LEU   80 - QG2   VAL   41  14.80 +/- 5.14   2.651% *  0.2691% (0.97  1.00   0.02   0.02) =   0.022%
          QB    ALA   61 - QG2   VAL   41  10.83 +/- 1.74   1.958% *  0.2329% (0.84  1.00   0.02   0.02) =   0.014%
          HD3   LYS+ 121 - QG2   VAL   41  13.34 +/- 4.35   2.260% *  0.1804% (0.65  1.00   0.02   0.02) =   0.013%
          QB    ALA  110 - QG2   VAL   41  16.47 +/- 1.98   0.691% *  0.2733% (0.98  1.00   0.02   0.02) =   0.006%
          QG    LYS+  66 - QG2   VAL   41  12.58 +/- 1.23   1.308% *  0.1357% (0.49  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - QG2   VAL   41  10.68 +/- 3.05   2.376% *  0.0621% (0.22  1.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QG2   VAL   41  13.34 +/- 2.47   1.133% *  0.0430% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.16 A violated in 6 structures by 0.85 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  11.88 +/- 2.29 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 8.83 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.67, residual support = 76.0:
      O   HN    VAL   41 - HB    VAL   41   3.37 +/- 0.33 100.000% *100.0000% (0.47  10.0   4.67  76.02) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.94, support = 2.59, residual support = 21.5:
          HN    LEU   98 - QG1   VAL   41   5.58 +/- 2.76  42.650% * 96.0477% (0.98   2.63  22.02) =  95.621%  kept
          HN    LEU   98 - QD2   LEU  104   4.35 +/- 0.99  54.875% *  3.3935% (0.05   1.73  10.64) =   4.347%  kept
          HN    LEU   98 - QG2   VAL   18  11.99 +/- 2.50   2.475% *  0.5588% (0.75   0.02   0.02) =   0.032%
    Distance limit 3.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.564, support = 0.02, residual support = 0.0836:
          QD    PHE   60 - HB    VAL   41  12.36 +/- 2.90  36.448% * 34.1212% (0.66   0.02   0.15) =  47.932%  kept
          HN    LYS+  66 - HB    VAL   41  13.64 +/- 1.92  26.302% * 29.5320% (0.57   0.02   0.02) =  29.937%  kept
          QE    PHE   59 - HB    VAL   41  13.83 +/- 2.23  27.029% * 12.0603% (0.23   0.02   0.02) =  12.564%  kept
          HN    LYS+  81 - HB    VAL   41  20.13 +/- 4.37  10.222% * 24.2865% (0.47   0.02   0.02) =   9.568%  kept
    Distance limit 3.73 A violated in 20 structures by 6.80 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 28.3:
      O   HN    VAL   42 - HA    VAL   41   2.27 +/- 0.06  80.445% * 99.1360% (0.98  10.0   5.19  28.31) =  99.843%  kept
          HN    LEU   73 - HA    VAL   41   6.29 +/- 2.81  16.022% *  0.7714% (0.98   1.0   0.16   0.02) =   0.155%  kept
          HN    ILE   19 - HA    VAL   41   8.64 +/- 2.94   2.981% *  0.0613% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  13.82 +/- 2.60   0.552% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 4.98, residual support = 38.9:
      O   HN    VAL   43 - HA    VAL   42   2.26 +/- 0.07  99.729% * 99.9765% (0.90  10.0   4.98  38.87) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  19.39 +/- 2.53   0.271% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.687, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   4.93 +/- 2.60  63.753% * 16.0745% (0.34   0.02   0.02) =  39.811%  kept
          QD1   ILE   89 - QG2   VAL   41   9.51 +/- 1.65  21.472% * 46.1912% (0.98   0.02   0.02) =  38.530%  kept
          QG2   VAL   83 - QG2   VAL   41  10.63 +/- 3.21  14.776% * 37.7342% (0.80   0.02   0.02) =  21.659%  kept
    Distance limit 3.03 A violated in 7 structures by 1.67 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.828, support = 4.08, residual support = 27.8:
        T HB    VAL   41 - HB    VAL   42   5.49 +/- 0.38  26.354% * 95.0049% (0.84 10.00   4.14  28.31) =  97.951%  kept
          HB2   LEU   71 - HB    VAL   42   7.38 +/- 2.90  19.253% *  2.4537% (0.42  1.00   1.02   1.16) =   1.848%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.53 +/- 2.38   2.231% *  0.6368% (0.56 10.00   0.02   0.02) =   0.056%
          HG2   PRO   93 - HB2   LYS+ 112   9.25 +/- 3.53  10.930% *  0.0603% (0.53  1.00   0.02   0.02) =   0.026%
          HB3   PRO   52 - HB2   LYS+ 112   9.64 +/- 4.82  14.890% *  0.0421% (0.37  1.00   0.02   0.02) =   0.025%
          QB    LYS+  66 - HB    VAL   42  10.35 +/- 1.84   5.377% *  0.0982% (0.87  1.00   0.02   0.02) =   0.021%
          HG12  ILE  103 - HB    VAL   42   9.88 +/- 2.42   5.025% *  0.0854% (0.75  1.00   0.02   0.02) =   0.017%
        T HB    VAL   41 - HB2   LYS+ 112  21.26 +/- 2.73   0.549% *  0.6705% (0.59 10.00   0.02   0.02) =   0.014%
        T QB    LYS+ 102 - HB2   LYS+ 112  21.53 +/- 2.52   0.604% *  0.4494% (0.40 10.00   0.02   0.02) =   0.011%
          QB    LYS+  65 - HB    VAL   42   9.86 +/- 1.45   4.738% *  0.0518% (0.46  1.00   0.02   0.02) =   0.010%
          QB    LYS+  66 - HB2   LYS+ 112  15.22 +/- 2.88   1.933% *  0.0693% (0.61  1.00   0.02   0.02) =   0.005%
          HG2   PRO   93 - HB    VAL   42  15.26 +/- 1.51   1.298% *  0.0854% (0.75  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB    VAL   42  16.09 +/- 3.26   1.520% *  0.0597% (0.53  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB2   LYS+ 112  15.04 +/- 2.47   1.536% *  0.0421% (0.37  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - HB2   LYS+ 112  19.67 +/- 2.92   1.013% *  0.0603% (0.53  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   LYS+ 112  14.35 +/- 2.56   1.642% *  0.0366% (0.32  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB    VAL   42  19.86 +/- 2.32   0.680% *  0.0597% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   LYS+ 112  22.82 +/- 3.82   0.428% *  0.0338% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 15 structures by 1.55 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.04, residual support = 82.9:
          HN    VAL   42 - QG2   VAL   42   3.41 +/- 0.42  66.925% * 78.7077% (0.64   5.34  89.71) =  92.370%  kept
          HN    LEU   73 - QG2   VAL   42   6.59 +/- 1.78  20.658% * 20.9332% (0.64   1.42   0.51) =   7.583%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.31 +/- 2.42   8.008% *  0.2946% (0.64   0.02   0.02) =   0.041%
          HN    ILE   19 - QG2   VAL   42   9.09 +/- 1.83   4.409% *  0.0644% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.36 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.08, residual support = 38.9:
          HN    VAL   43 - QG2   VAL   42   3.43 +/- 0.47 100.000% *100.0000% (0.72   5.08  38.87) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.953, support = 3.97, residual support = 88.0:
      O T HA    VAL   42 - QG1   VAL   42   2.69 +/- 0.32  62.179% * 91.4889% (0.97  10.0 10.00   4.00  89.71) =  97.801%  kept
          HA    THR   46 - QB    ALA   47   3.85 +/- 0.11  22.934% *  5.4586% (0.44   1.0  1.00   2.63  11.36) =   2.152%  kept
        T HA    GLN   17 - QG1   VAL   42  10.47 +/- 2.62   1.520% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.014%
        T HA    PHE   55 - QB    ALA   47  10.37 +/- 1.36   1.270% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.010%
        T HA    PHE   55 - QG1   VAL   42  14.48 +/- 2.38   0.926% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.008%
        T HA    VAL   42 - QB    ALA   47  14.27 +/- 0.97   0.440% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   90 - QB    ALA   47   8.81 +/- 2.75   5.980% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   17 - QB    ALA   47  18.68 +/- 3.45   0.266% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.45 +/- 0.48   1.645% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.47 +/- 1.50   0.644% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG1   VAL   42  13.25 +/- 1.43   0.685% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47  12.48 +/- 2.35   0.921% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  14.41 +/- 1.90   0.503% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.00 +/- 1.74   0.086% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.899, support = 1.62, residual support = 4.2:
          QD    PHE   60 - QG1   VAL   42   6.04 +/- 2.21  28.139% * 89.7093% (0.93   1.71   4.47) =  93.837%  kept
          QE    PHE   59 - QG1   VAL   42   6.94 +/- 1.85  21.513% *  5.9829% (0.33   0.32   0.02) =   4.785%  kept
          HN    LYS+  66 - QG1   VAL   42   7.84 +/- 1.50  14.349% *  0.9076% (0.81   0.02   0.02) =   0.484%  kept
          QD    PHE   60 - QB    ALA   47   8.82 +/- 2.20  10.031% *  0.9055% (0.80   0.02   0.02) =   0.338%  kept
          HN    LYS+  66 - QB    ALA   47  13.66 +/- 3.42   8.878% *  0.7838% (0.70   0.02   0.02) =   0.259%  kept
          HN    LYS+  81 - QB    ALA   47  11.26 +/- 2.07   6.110% *  0.6445% (0.57   0.02   0.02) =   0.146%  kept
          QE    PHE   59 - QB    ALA   47   9.98 +/- 2.03   9.661% *  0.3201% (0.28   0.02   0.02) =   0.115%  kept
          HN    LYS+  81 - QG1   VAL   42  15.48 +/- 1.88   1.319% *  0.7464% (0.66   0.02   0.02) =   0.037%
    Distance limit 3.06 A violated in 12 structures by 1.64 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 5.22, residual support = 85.4:
          HN    VAL   42 - QG1   VAL   42   3.46 +/- 0.39  63.338% * 85.3758% (0.77   5.44  89.71) =  95.162%  kept
          HN    LEU   73 - QG1   VAL   42   5.85 +/- 1.75  20.301% * 13.3702% (0.77   0.85   0.51) =   4.777%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.60 +/- 1.88   6.578% *  0.3136% (0.77   0.02   0.02) =   0.036%
          HN    LYS+ 106 - QB    ALA   47  15.42 +/- 2.30   1.682% *  0.2708% (0.67   0.02   0.02) =   0.008%
          HN    ILE   19 - QG1   VAL   42   8.58 +/- 2.10   5.291% *  0.0686% (0.17   0.02   0.02) =   0.006%
          HN    LEU   73 - QB    ALA   47  14.16 +/- 1.49   1.146% *  0.2708% (0.67   0.02   0.02) =   0.005%
          HN    VAL   42 - QB    ALA   47  14.83 +/- 1.02   0.945% *  0.2708% (0.67   0.02   0.02) =   0.005%
          HN    ILE   19 - QB    ALA   47  16.45 +/- 2.86   0.718% *  0.0592% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.08, residual support = 38.9:
          HN    VAL   43 - QG1   VAL   42   2.85 +/- 0.53  96.163% * 99.3882% (0.40   5.08  38.87) =  99.991%  kept
          HN    VAL   43 - QB    ALA   47  12.79 +/- 1.00   1.434% *  0.3380% (0.34   0.02   0.02) =   0.005%
          HN    VAL   24 - QG1   VAL   42  13.80 +/- 2.34   1.739% *  0.1469% (0.15   0.02   0.02) =   0.003%
          HN    VAL   24 - QB    ALA   47  16.59 +/- 2.36   0.663% *  0.1269% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.423, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   7.78 +/- 2.00  80.626% * 53.6601% (0.43   0.02   0.02) =  82.814%  kept
          HN    LEU  104 - QB    ALA   47  17.37 +/- 2.42  19.374% * 46.3399% (0.37   0.02   0.02) =  17.186%  kept
    Distance limit 3.81 A violated in 20 structures by 3.56 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.73, residual support = 16.0:
          HN    TRP   49 - QB    ALA   47   2.51 +/- 0.27  93.795% * 95.0571% (0.29   3.73  16.04) =  99.933%  kept
          HD22  ASN   69 - QG1   VAL   42   9.27 +/- 1.37   2.466% *  1.0563% (0.61   0.02   0.02) =   0.029%
          HE22  GLN   30 - QG1   VAL   42   9.08 +/- 1.37   2.546% *  0.9183% (0.53   0.02   0.02) =   0.026%
          HD22  ASN   69 - QB    ALA   47  19.59 +/- 2.97   0.299% *  1.3791% (0.79   0.02   0.02) =   0.005%
          HE22  GLN   30 - QB    ALA   47  17.71 +/- 1.58   0.343% *  1.1989% (0.69   0.02   0.02) =   0.005%
          HN    TRP   49 - QG1   VAL   42  14.58 +/- 1.39   0.551% *  0.3903% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.44 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 = 0.399, support = 2.27, residual support = 10.5:
      O   HN    ALA   47 - QB    ALA   47   2.33 +/- 0.18  73.445% * 85.7367% (0.39  10.0   2.31  10.78) =  97.429%  kept
          QD    PHE   95 - QG1   VAL   42   4.96 +/- 1.68  19.478% *  5.7807% (0.70   1.0   0.75   0.80) =   1.742%  kept
          QD    PHE   95 - QB    ALA   47   8.39 +/- 1.59   6.356% *  8.4169% (0.91   1.0   0.84   0.27) =   0.828%  kept
          HN    ALA   47 - QG1   VAL   42  11.20 +/- 0.63   0.721% *  0.0657% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 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 = 0.543, support = 4.03, residual support = 30.6:
          HB    VAL   42 - QG1   VAL   43   5.74 +/- 0.62  11.990% * 65.3841% (0.62  1.00   4.57  38.87) =  66.426%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.23 +/- 0.78  11.382% * 28.3569% (0.34  1.00   3.62  16.61) =  27.348%  kept
        T HB3   LEU   73 - QG1   VAL   43   7.11 +/- 3.47  17.818% *  3.1861% (0.69 10.00   0.02   4.69) =   4.810%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.26 +/- 2.32  12.314% *  0.3944% (0.85  1.00   0.02   0.02) =   0.411%  kept
          HG    LEU   98 - QG1   VAL   43   5.49 +/- 1.69  17.800% *  0.2697% (0.58  1.00   0.02   0.02) =   0.407%  kept
          HB3   PRO   93 - QG1   VAL   43   9.64 +/- 2.10   7.097% *  0.3338% (0.72  1.00   0.02   0.02) =   0.201%  kept
          QB    ALA   84 - QG1   VAL   43   8.41 +/- 2.53   6.258% *  0.3186% (0.69  1.00   0.02   0.02) =   0.169%  kept
          HG3   LYS+  65 - QG1   VAL   43  11.68 +/- 2.14   1.720% *  0.2864% (0.62  1.00   0.02   0.02) =   0.042%
          HG3   LYS+ 102 - QG1   VAL   43  11.69 +/- 1.70   1.427% *  0.3338% (0.72  1.00   0.02   0.02) =   0.040%
          HB3   LEU   80 - QG1   VAL   43  10.37 +/- 4.10   5.604% *  0.0825% (0.18  1.00   0.02   0.02) =   0.039%
          HB2   LYS+ 112 - QG1   VAL   43  14.46 +/- 1.85   1.063% *  0.3616% (0.78  1.00   0.02   0.02) =   0.033%
          HB2   LEU   63 - QG1   VAL   43  10.15 +/- 2.19   3.062% *  0.1159% (0.25  1.00   0.02   0.02) =   0.030%
          HG3   LYS+  33 - QG1   VAL   43  12.51 +/- 2.55   1.307% *  0.2529% (0.54  1.00   0.02   0.02) =   0.028%
          QB    ALA  124 - QG1   VAL   43  16.45 +/- 2.74   0.619% *  0.2193% (0.47  1.00   0.02   0.02) =   0.012%
          QB    ALA   12 - QG1   VAL   43  16.52 +/- 2.63   0.541% *  0.1040% (0.22  1.00   0.02   0.02) =   0.005%
    Distance limit 3.33 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.266, support = 1.39, residual support = 3.4:
        T HH2   TRP   27 - QG1   VAL   43   5.88 +/- 3.59  54.516% * 46.8926% (0.31 10.00   1.09   3.40) =  51.417%  kept
        T HZ3   TRP   27 - QG1   VAL   43   6.19 +/- 3.40  45.484% * 53.1074% (0.22 10.00   1.69   3.40) =  48.583%  kept
    Distance limit 2.99 A violated in 8 structures by 2.38 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.29, residual support = 60.8:
          HN    VAL   43 - QG1   VAL   43   2.46 +/- 0.71 100.000% *100.0000% (0.80   5.29  60.80) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.357, support = 3.62, residual support = 16.9:
          HN    ASP-  44 - QG2   VAL   43   3.45 +/- 0.53  46.803% * 70.3204% (0.39   3.93  16.61) =  82.881%  kept
          HN    ASN   28 - QD2   LEU   31   4.01 +/- 0.83  34.707% * 18.5576% (0.18   2.22  19.19) =  16.220%  kept
          HN    ASN   28 - QG2   VAL   43   9.98 +/- 3.22   3.254% * 10.3131% (0.63   0.35   0.02) =   0.845%  kept
          HN    GLU-  25 - QG2   VAL   43  11.89 +/- 3.59   1.763% *  0.3328% (0.36   0.02   0.02) =   0.015%
          HN    ASP-  44 - QD2   LEU   31   9.49 +/- 2.30   5.332% *  0.1028% (0.11   0.02   0.02) =   0.014%
          HN    ASN   69 - QG2   VAL   43  12.29 +/- 2.10   2.537% *  0.2158% (0.23   0.02   0.02) =   0.014%
          HN    GLU-  25 - QD2   LEU   31   7.83 +/- 0.78   4.157% *  0.0955% (0.10   0.02   0.02) =   0.010%
          HN    ASN   69 - QD2   LEU   31  13.16 +/- 2.12   1.447% *  0.0619% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.21, residual support = 60.8:
      O   HN    VAL   43 - HB    VAL   43   2.86 +/- 0.51 100.000% *100.0000% (0.87  10.0   4.21  60.80) = 100.000%  kept
    Distance limit 3.51 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 = 16.0:
          HN    MET   96 - HB    VAL   43   4.34 +/- 1.09 100.000% *100.0000% (0.51   1.50  16.01) = 100.000%  kept
    Distance limit 3.79 A violated in 2 structures by 0.66 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.44, residual support = 17.8:
        T QD    PHE   45 - HB3   ASP-  44   4.73 +/- 0.46 100.000% *100.0000% (0.80 10.00   4.44  17.78) = 100.000%  kept
    Distance limit 3.87 A violated in 1 structures by 0.89 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.86, residual support = 39.3:
      O   HN    ASP-  44 - HB3   ASP-  44   3.40 +/- 0.46  98.059% * 99.8560% (0.98  10.0   3.86  39.26) =  99.999%  kept
          HN    GLU-  25 - HB3   ASP-  44  17.85 +/- 2.58   0.865% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  16.16 +/- 1.93   1.076% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.883, support = 1.46, residual support = 2.9:
          HA    LYS+  74 - HB2   ASP-  44   5.89 +/- 3.08  79.773% * 34.2814% (0.92  1.00   1.96   4.30) =  67.292%  kept
        T HA    MET   92 - HB2   ASP-  44  11.56 +/- 1.24  20.227% * 65.7186% (0.80 10.00   0.43   0.02) =  32.708%  kept
    Distance limit 4.01 A violated in 9 structures by 1.63 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.11, residual support = 39.3:
      O   HN    ASP-  44 - HB2   ASP-  44   2.76 +/- 0.38  98.518% * 99.8560% (0.98  10.0   3.11  39.26) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  17.04 +/- 2.33   0.663% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  15.34 +/- 1.71   0.819% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.609, support = 3.84, residual support = 32.7:
      O   HN    ASP-  44 - HA    ASP-  44   2.88 +/- 0.06  32.985% * 81.9551% (0.80  10.0   3.74  39.26) =  69.422%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.02  66.425% * 17.9245% (0.18  10.0   4.06  17.78) =  30.577%  kept
          HN    GLU-  25 - HA    ASP-  44  17.56 +/- 2.56   0.182% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ASP-  44  14.36 +/- 3.08   0.408% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.2:
          HA    PHE   95 - HA    ASP-  44   3.62 +/- 2.07 100.000% *100.0000% (0.87   2.00   4.20) = 100.000%  kept
    Distance limit 3.66 A violated in 3 structures by 0.75 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.7:
        T HB    THR   94 - HB2   PHE   45   2.68 +/- 0.65  81.976% * 98.9931% (0.65 10.00   2.96  27.70) =  99.980%  kept
          HA    LYS+  65 - HB2   PHE   45  13.23 +/- 4.15   3.902% *  0.1413% (0.92  1.00   0.02   0.02) =   0.007%
          QB    SER   85 - HB2   PHE   45  11.29 +/- 1.41   2.208% *  0.1477% (0.97  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - HB2   PHE   45  10.16 +/- 0.88   2.181% *  0.1169% (0.76  1.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HB2   PHE   45  11.46 +/- 1.93   2.922% *  0.0522% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PHE   45  10.37 +/- 1.41   3.704% *  0.0268% (0.18  1.00   0.02   0.60) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  14.29 +/- 1.48   1.127% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  18.26 +/- 2.32   0.438% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  22.30 +/- 3.31   0.233% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  13.54 +/- 1.83   0.766% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  18.46 +/- 2.22   0.332% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  22.02 +/- 2.09   0.210% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.421, support = 2.2, residual support = 9.31:
          QG2   THR   77 - HB2   PHE   45   4.42 +/- 3.00  67.390% * 73.7902% (0.45   2.23  10.19) =  90.806%  kept
          QB    ALA   88 - HB2   PHE   45   8.64 +/- 1.78  21.715% * 22.7797% (0.15   2.00   0.60) =   9.033%  kept
          QG2   ILE   56 - HB2   PHE   45  10.61 +/- 2.59   7.454% *  0.6631% (0.45   0.02   0.02) =   0.090%
          QG2   THR   23 - HB2   PHE   45  15.64 +/- 2.94   1.723% *  1.3991% (0.95   0.02   0.02) =   0.044%
          QB    ALA   34 - HB2   PHE   45  15.58 +/- 1.11   1.339% *  0.9568% (0.65   0.02   0.02) =   0.023%
          HG3   LYS+  38 - HB2   PHE   45  24.04 +/- 1.71   0.378% *  0.4112% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.79 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 15.0:
        T QG2   ILE   89 - HB2   PHE   45   4.08 +/- 1.12  84.182% * 99.8023% (1.00 10.00   0.75  15.03) =  99.977%  kept
          QG1   VAL   83 - HB2   PHE   45   9.53 +/- 1.59  11.209% *  0.1510% (0.57  1.00   0.02   1.31) =   0.020%
          QD1   LEU  104 - HB2   PHE   45  13.77 +/- 1.30   4.609% *  0.0467% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.74 A violated in 3 structures by 0.57 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.887, support = 2.44, residual support = 8.64:
          QG2   THR   77 - HB3   PHE   45   3.62 +/- 3.16  71.246% * 62.3734% (0.87   2.65  10.19) =  83.845%  kept
          QB    ALA   88 - HB3   PHE   45   8.76 +/- 2.03  23.511% * 36.3827% (0.99   1.35   0.60) =  16.139%  kept
          HB3   LEU   80 - HB3   PHE   45  10.15 +/- 2.24   3.223% *  0.1074% (0.20   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HB3   PHE   45  15.50 +/- 2.21   1.012% *  0.2036% (0.38   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HB3   PHE   45  20.04 +/- 1.21   0.371% *  0.3509% (0.65   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HB3   PHE   45  23.95 +/- 1.86   0.213% *  0.4146% (0.76   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB3   PHE   45  18.64 +/- 2.76   0.423% *  0.1674% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.21, residual support = 15.0:
        T QG2   ILE   89 - HB3   PHE   45   4.03 +/- 1.23 100.000% *100.0000% (0.69 10.00   1.21  15.03) = 100.000%  kept
    Distance limit 3.60 A violated in 2 structures by 0.66 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.32, residual support = 80.0:
      O   QD    PHE   45 - HB2   PHE   45   2.59 +/- 0.17  98.145% * 99.6976% (0.65  10.0   4.32  79.95) =  99.998%  kept
          HE22  GLN  116 - HB2   PHE   45  16.59 +/- 2.89   0.909% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB2   PHE   45  15.07 +/- 2.08   0.733% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   PHE   45  21.49 +/- 3.95   0.213% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.724, support = 3.62, residual support = 79.7:
      O   HN    PHE   45 - HB2   PHE   45   2.60 +/- 0.54  90.433% * 95.2406% (0.73  10.0   3.62  79.95) =  99.596%  kept
          HN    ASP-  44 - HB2   PHE   45   6.43 +/- 0.39   7.554% *  4.6057% (0.22   1.0   3.15  17.78) =   0.402%  kept
          HN    ALA  110 - HB2   PHE   45  12.71 +/- 2.67   1.354% *  0.1211% (0.92   1.0   0.02   0.02) =   0.002%
          HN    GLU-  25 - HB2   PHE   45  18.79 +/- 3.27   0.659% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.03, residual support = 80.0:
      O   QD    PHE   45 - HB3   PHE   45   2.40 +/- 0.18  98.798% * 99.6976% (0.65  10.0   5.03  79.95) =  99.999%  kept
          HD2   HIS  122 - HB3   PHE   45  15.89 +/- 2.25   0.534% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB3   PHE   45  17.35 +/- 3.03   0.482% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB3   PHE   45  21.46 +/- 4.13   0.186% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.723, support = 3.94, residual support = 79.6:
      O   HN    PHE   45 - HB3   PHE   45   3.27 +/- 0.42  86.640% * 95.2410% (0.73  10.0   3.95  79.95) =  99.415%  kept
          HN    ASP-  44 - HB3   PHE   45   6.77 +/- 0.33  10.480% *  4.6052% (0.22   1.0   3.15  17.78) =   0.581%  kept
          HN    ALA  110 - HB3   PHE   45  13.57 +/- 2.54   2.192% *  0.1211% (0.92   1.0   0.02   0.02) =   0.003%
          HN    GLU-  25 - HB3   PHE   45  18.41 +/- 3.13   0.688% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 1.02, residual support = 3.72:
          HA    ASP-  76 - QG2   THR   46   5.74 +/- 4.07 100.000% *100.0000% (0.41   1.02   3.72) = 100.000%  kept
    Distance limit 3.39 A violated in 11 structures by 2.61 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.766, support = 3.33, residual support = 34.0:
          HN    THR   46 - QG2   THR   46   2.47 +/- 0.43  86.087% * 90.7291% (0.76   3.35  34.20) =  99.293%  kept
          HN    LYS+  74 - QG2   THR   46   8.89 +/- 3.29   6.723% *  7.8209% (1.00   0.22   0.02) =   0.668%  kept
          HN    MET   92 - QG2   THR   46   8.51 +/- 1.75   5.092% *  0.4008% (0.57   0.02   0.02) =   0.026%
          HN    LYS+ 112 - QG2   THR   46  12.88 +/- 2.86   1.751% *  0.4579% (0.65   0.02   0.02) =   0.010%
          HN    MET   11 - QG2   THR   46  23.85 +/- 4.44   0.347% *  0.5913% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.34, support = 2.79, residual support = 9.64:
          HN    ALA   47 - QG2   THR   46   3.39 +/- 0.62  75.756% * 63.7034% (0.25   3.20  11.36) =  84.578%  kept
          QD    PHE   95 - QG2   THR   46   7.07 +/- 2.14  24.244% * 36.2966% (0.84   0.54   0.24) =  15.422%  kept
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.317, support = 0.913, residual support = 0.571:
          QB    CYS   50 - QG2   THR   46   5.31 +/- 1.27  43.825% * 81.9066% (0.31   0.99   0.62) =  91.901%  kept
          QE    LYS+  74 - QG2   THR   46   6.47 +/- 4.01  34.816% *  6.8214% (0.28   0.09   0.02) =   6.080%  kept
          HB2   PHE   72 - QG2   THR   46  10.19 +/- 2.35   8.442% *  5.3665% (1.00   0.02   0.02) =   1.160%  kept
          HA    ALA   64 - QG2   THR   46   9.99 +/- 2.62   9.555% *  2.2111% (0.41   0.02   0.02) =   0.541%  kept
          HB3   ASN   69 - QG2   THR   46  15.76 +/- 3.04   3.361% *  3.6945% (0.69   0.02   0.02) =   0.318%  kept
    Distance limit 3.59 A violated in 4 structures by 1.00 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.19:
      O   HN    SER   48 - HA    SER   48   2.76 +/- 0.05  98.872% * 99.9333% (0.49  10.0   2.61   9.19) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.80 +/- 3.38   0.853% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  21.54 +/- 2.72   0.276% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 2.42, residual support = 9.19:
      O   HN    SER   48 - QB    SER   48   2.30 +/- 0.19  98.416% * 99.9496% (0.95  10.0   2.42   9.19) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.81 +/- 3.09   1.338% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  18.85 +/- 2.51   0.246% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.925, support = 4.1, residual support = 83.8:
      O   HN    TRP   49 - HB2   TRP   49   3.58 +/- 0.15  51.199% * 97.0752% (0.95  10.0   4.11  85.99) =  97.335%  kept
          HN    CYS   50 - HB2   TRP   49   3.62 +/- 0.90  48.430% *  2.8097% (0.15   1.0   3.55   4.62) =   2.665%  kept
          HE22  GLN   30 - HB2   TRP   49  24.97 +/- 2.20   0.164% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  26.94 +/- 5.36   0.207% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.75, residual support = 86.0:
      O   HD1   TRP   49 - HB2   TRP   49   3.89 +/- 0.06  96.534% * 99.6923% (0.80  10.0   4.75  85.99) =  99.998%  kept
          HN    LEU   67 - HB2   TRP   49  20.78 +/- 4.99   1.922% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   TRP   49  22.50 +/- 3.83   0.697% *  0.1149% (0.92   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   TRP   49  33.47 +/- 4.27   0.258% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  22.19 +/- 2.31   0.589% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 3.98, residual support = 85.0:
      O   HN    TRP   49 - HB3   TRP   49   3.05 +/- 0.33  68.900% * 97.1201% (0.79  10.0   3.98  85.99) =  98.745%  kept
          HN    CYS   50 - HB3   TRP   49   4.13 +/- 0.48  30.749% *  2.7649% (0.13   1.0   3.49   4.62) =   1.255%  kept
          HE22  GLN   30 - HB3   TRP   49  24.84 +/- 2.27   0.152% *  0.0948% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  27.27 +/- 5.18   0.198% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 4.7, residual support = 86.0:
      O   HD1   TRP   49 - HB3   TRP   49   2.92 +/- 0.17  98.023% * 99.6923% (0.67  10.0   4.70  85.99) =  99.999%  kept
          HN    LEU   67 - HB3   TRP   49  21.14 +/- 5.05   1.192% *  0.0558% (0.37   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB3   TRP   49  22.12 +/- 4.19   0.385% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.39 +/- 3.93   0.091% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  21.75 +/- 2.76   0.308% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.705, support = 0.02, residual support = 2.37:
          HB2   PRO   52 - HB3   TRP   49  10.09 +/- 0.77  66.054% * 45.9163% (0.72   0.02   3.11) =  76.246%  kept
          HB2   ASP-  62 - HB3   TRP   49  18.54 +/- 3.66  17.687% * 45.9163% (0.72   0.02   0.02) =  20.416%  kept
          HG2   MET   96 - HB3   TRP   49  21.12 +/- 3.47  16.259% *  8.1674% (0.13   0.02   0.02) =   3.338%  kept
    Distance limit 3.91 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.67 +/- 0.75  29.929% * 16.1708% (0.47   0.02   0.02) =  28.869%  kept
          QE    LYS+ 112 - HB3   TRP   49  14.08 +/- 3.36  27.076% * 16.1708% (0.47   0.02   0.02) =  26.117%  kept
          QG    GLU-  79 - HB3   TRP   49  14.34 +/- 2.97  25.969% * 13.9029% (0.41   0.02   0.02) =  21.536%  kept
          HB    VAL  107 - HB3   TRP   49  18.74 +/- 2.53  11.874% * 27.0190% (0.79   0.02   0.02) =  19.136%  kept
          QG    GLN   32 - HB3   TRP   49  29.38 +/- 2.94   2.783% * 22.8711% (0.67   0.02   0.02) =   3.796%  kept
          HG2   GLU-  29 - HB3   TRP   49  29.99 +/- 2.54   2.370% *  3.8655% (0.11   0.02   0.02) =   0.546%  kept
    Distance limit 3.97 A violated in 20 structures by 6.40 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.59, residual support = 6.93:
          QB    ALA   47 - QB    CYS   50   3.87 +/- 0.46  75.461% * 98.8142% (0.65   3.60   6.94) =  99.897%  kept
          QB    ALA   64 - QB    CYS   50  11.00 +/- 2.02   6.279% *  0.5496% (0.65   0.02   0.02) =   0.046%
          HG2   LYS+ 112 - QB    CYS   50  11.84 +/- 3.66  15.325% *  0.1892% (0.22   0.02   0.02) =   0.039%
          QG1   VAL   42 - QB    CYS   50  12.06 +/- 1.28   2.935% *  0.4470% (0.53   0.02   0.02) =   0.018%
    Distance limit 3.61 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.987, support = 1.53, residual support = 7.78:
        T HB2   CYS   53 - QB    CYS   50   3.44 +/- 0.75  65.950% * 89.6371% (1.00 10.00   1.50   8.11) =  95.883%  kept
          HD3   PRO   52 - QB    CYS   50   5.30 +/- 0.82  25.116% * 10.0878% (0.73  1.00   2.32   0.02) =   4.109%  kept
          HD2   PRO   58 - QB    CYS   50   9.64 +/- 2.20   6.284% *  0.0583% (0.49  1.00   0.02   0.02) =   0.006%
          HA    VAL   83 - QB    CYS   50  16.66 +/- 3.13   1.151% *  0.0492% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  22.02 +/- 2.06   0.334% *  0.0959% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  17.86 +/- 3.06   0.932% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  24.92 +/- 2.43   0.232% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.6, residual support = 7.38:
      O   HN    CYS   50 - QB    CYS   50   2.99 +/- 0.38  76.074% * 88.3395% (0.80  10.0   1.57   7.49) =  96.242%  kept
          HN    TRP   49 - QB    CYS   50   4.58 +/- 0.35  22.663% * 11.5774% (0.65   1.0   2.54   4.62) =   3.758%  kept
          HN    VAL   83 - QB    CYS   50  15.90 +/- 2.86   0.875% *  0.0480% (0.34   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    CYS   50  19.29 +/- 2.05   0.387% *  0.0351% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 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  98.268% * 97.0144% (0.87  10.0 10.00   2.81  10.17) =  99.989%  kept
        T QB    SER   48 - HA1   GLY   51   9.04 +/- 0.70   0.760% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QB    SER  117 - HA1   GLY   51  17.68 +/- 2.89   0.131% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   85 - HA1   GLY   51  19.20 +/- 3.27   0.104% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  15.34 +/- 2.00   0.170% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  21.98 +/- 3.76   0.098% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  19.55 +/- 3.90   0.125% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  23.98 +/- 3.40   0.054% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  14.40 +/- 2.17   0.259% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  28.82 +/- 4.25   0.031% *  0.0724% (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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 3.26, residual support = 36.8:
          HB3   CYS   53 - HB2   PRO   52   5.95 +/- 0.70  15.668% * 77.2560% (0.99   4.65  55.46) =  66.171%  kept
          QB    PHE   55 - HB2   PRO   52   4.21 +/- 0.68  39.848% *  9.8462% (0.92   0.64   0.35) =  21.448%  kept
          HD3   PRO   93 - HB2   PRO   52   8.88 +/- 5.52  26.635% *  6.9097% (0.98   0.42   0.02) =  10.061%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.05 +/- 1.10   8.375% *  4.8908% (0.97   0.30   1.92) =   2.239%  kept
          HB2   PHE   59 - HB2   PRO   52  10.90 +/- 2.63   3.285% *  0.2304% (0.69   0.02   0.02) =   0.041%
          HD3   PRO   68 - HB2   PRO   52  20.97 +/- 3.45   0.764% *  0.3237% (0.97   0.02   0.02) =   0.014%
          HB3   CYS   53 - HG2   MET   96  17.17 +/- 2.65   1.285% *  0.0977% (0.29   0.02   0.02) =   0.007%
          HD3   PRO   93 - HG2   MET   96  14.15 +/- 1.11   1.202% *  0.0966% (0.29   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG2   MET   96  15.06 +/- 2.79   1.218% *  0.0677% (0.20   0.02   0.02) =   0.005%
          HD3   PRO   68 - HG2   MET   96  17.42 +/- 2.23   0.720% *  0.0951% (0.28   0.02   0.02) =   0.004%
          QB    PHE   55 - HG2   MET   96  17.68 +/- 2.14   0.640% *  0.0910% (0.27   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG2   MET   96  22.28 +/- 2.79   0.360% *  0.0951% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.04 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.357, support = 1.58, residual support = 14.2:
        T HD3   PRO   93 - HB3   PRO   52   8.91 +/- 4.82  23.326% * 37.0427% (0.41 10.00   0.39   0.02) =  47.123%  kept
          HB3   CYS   53 - HB3   PRO   52   6.18 +/- 0.86  16.007% * 28.7488% (0.25  1.00   4.96  55.46) =  25.096%  kept
          QB    PHE   55 - HB3   PRO   52   4.37 +/- 0.78  38.934% *  6.5464% (0.53  1.00   0.53   0.35) =  13.900%  kept
        T HD2   ARG+  54 - HB3   PRO   52   7.99 +/- 1.18  10.099% * 24.9678% (0.20 10.00   0.54   1.92) =  13.752%  kept
        T HD3   PRO   68 - HB3   PRO   52  21.66 +/- 3.62   0.536% *  2.0862% (0.45 10.00   0.02   0.02) =   0.061%
          HB2   PHE   59 - HB3   PRO   52  11.32 +/- 2.12   2.622% *  0.3726% (0.80  1.00   0.02   0.02) =   0.053%
          HD3   PRO   93 - QB    LYS+  81  13.41 +/- 2.44   3.911% *  0.0219% (0.05  1.00   0.02   0.02) =   0.005%
        T HD2   ARG+  54 - QB    LYS+  81  19.84 +/- 3.34   0.740% *  0.1056% (0.02 10.00   0.02   0.02) =   0.004%
          QB    PHE   55 - QB    LYS+  81  17.56 +/- 3.11   1.335% *  0.0281% (0.06  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - QB    LYS+  81  19.18 +/- 3.30   0.769% *  0.0427% (0.09  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - QB    LYS+  81  15.55 +/- 2.40   1.410% *  0.0133% (0.03  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - QB    LYS+  81  22.87 +/- 2.83   0.312% *  0.0239% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.534, support = 0.02, residual support = 0.0276:
          HB3   LEU  115 - HB2   PRO   52  10.78 +/- 4.51   9.654% *  8.3913% (0.84   0.02   0.02) =  22.889%  kept
          QG    LYS+  66 - HB2   PRO   52  16.42 +/- 3.58   4.241% *  8.3913% (0.84   0.02   0.02) =  10.056%  kept
          HG    LEU  115 - HB2   PRO   52  10.31 +/- 4.18  10.551% *  2.7932% (0.28   0.02   0.02) =   8.327%  kept
          QB    ALA  110 - HB2   PRO   52  10.94 +/- 5.02   9.477% *  2.7932% (0.28   0.02   0.02) =   7.480%  kept
          HG    LEU   73 - HB2   PRO   52  20.89 +/- 4.29   2.029% *  9.6953% (0.97   0.02   0.02) =   5.557%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.00 +/- 1.32   6.233% *  2.9446% (0.29   0.02   0.02) =   5.186%  kept
          QB    ALA   61 - HB2   PRO   52  12.18 +/- 1.54   3.582% *  4.8900% (0.49   0.02   0.02) =   4.949%  kept
          HG    LEU   40 - HG2   MET   96  11.33 +/- 2.64   6.674% *  2.4650% (0.25   0.02   0.02) =   4.648%  kept
          HG    LEU   80 - HB2   PRO   52  20.02 +/- 5.40   4.867% *  3.1007% (0.31   0.02   0.02) =   4.264%  kept
          HG    LEU   73 - HG2   MET   96  12.65 +/- 3.42   5.181% *  2.8481% (0.28   0.02   0.02) =   4.169%  kept
          QB    ALA  120 - HB2   PRO   52  15.33 +/- 3.44   3.735% *  2.7932% (0.28   0.02   0.02) =   2.948%  kept
          HG    LEU   40 - HB2   PRO   52  22.48 +/- 3.26   1.102% *  8.3913% (0.84   0.02   0.02) =   2.614%  kept
          HB3   LEU  115 - HG2   MET   96  12.82 +/- 1.76   3.514% *  2.4650% (0.25   0.02   0.25) =   2.447%  kept
          QB    ALA   61 - HG2   MET   96  12.84 +/- 2.63   4.886% *  1.4365% (0.14   0.02   0.02) =   1.983%  kept
          HG    LEU   67 - HB2   PRO   52  19.95 +/- 2.25   0.939% *  7.2951% (0.73   0.02   0.02) =   1.936%  kept
          HB3   LEU   67 - HB2   PRO   52  19.59 +/- 2.15   1.052% *  6.4990% (0.65   0.02   0.02) =   1.931%  kept
          HG    LEU   67 - HG2   MET   96  15.54 +/- 2.44   2.382% *  2.1430% (0.21   0.02   0.02) =   1.442%  kept
          QG    LYS+  66 - HG2   MET   96  16.62 +/- 2.04   1.978% *  2.4650% (0.25   0.02   0.02) =   1.377%  kept
          HB3   LEU   67 - HG2   MET   96  15.43 +/- 2.04   2.286% *  1.9091% (0.19   0.02   0.02) =   1.233%  kept
          QB    ALA  110 - HG2   MET   96  13.12 +/- 2.01   3.927% *  0.8205% (0.08   0.02   0.02) =   0.910%  kept
          HG    LEU  115 - HG2   MET   96  12.94 +/- 1.48   3.744% *  0.8205% (0.08   0.02   0.25) =   0.868%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.00 +/- 3.79   0.290% * 10.0239% (1.00   0.02   0.02) =   0.822%  kept
          HG    LEU   80 - HG2   MET   96  16.31 +/- 4.38   2.256% *  0.9109% (0.09   0.02   0.02) =   0.581%  kept
          QB    ALA  120 - HG2   MET   96  14.72 +/- 2.51   2.413% *  0.8205% (0.08   0.02   0.02) =   0.560%  kept
          HG12  ILE   19 - HG2   MET   96  17.01 +/- 3.97   2.421% *  0.6570% (0.07   0.02   0.02) =   0.449%  kept
          HG12  ILE   19 - HB2   PRO   52  24.30 +/- 2.86   0.589% *  2.2366% (0.22   0.02   0.02) =   0.372%  kept
    Distance limit 3.18 A violated in 16 structures by 2.71 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.662, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52   8.92 +/- 2.56  26.588% *  5.3763% (0.65  1.00   0.02   0.02) =  18.427%  kept
        T QB    ALA   88 - HD2   PRO   52  15.08 +/- 2.94   9.065% * 14.5547% (0.18 10.00   0.02   0.02) =  17.008%  kept
          HB2   LEU   63 - HD2   PRO   52  14.24 +/- 2.85  10.744% *  8.3107% (1.00  1.00   0.02   0.02) =  11.510%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.65 +/- 4.87  11.176% *  6.9417% (0.84  1.00   0.02   0.02) =  10.001%  kept
          HB3   LEU   80 - HD2   PRO   52  17.06 +/- 4.02   8.719% *  8.1462% (0.98  1.00   0.02   0.02) =   9.157%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.61 +/- 3.35   5.414% * 12.8231% (0.15 10.00   0.02   0.02) =   8.950%  kept
          QB    ALA  124 - HD2   PRO   52  21.92 +/- 4.59   8.250% *  7.4533% (0.90  1.00   0.02   0.02) =   7.927%  kept
          HB3   ASP-  44 - HD2   PRO   52  13.04 +/- 1.65   6.789% *  8.1462% (0.98  1.00   0.02   0.02) =   7.129%  kept
          QB    ALA   84 - HD2   PRO   52  12.87 +/- 2.46   9.683% *  5.7087% (0.69  1.00   0.02   0.02) =   7.126%  kept
          HG    LEU   98 - HD2   PRO   52  22.30 +/- 2.13   1.412% *  6.6547% (0.80  1.00   0.02   0.02) =   1.211%  kept
          HB2   LEU   31 - HD2   PRO   52  26.57 +/- 3.49   0.885% *  7.4533% (0.90  1.00   0.02   0.02) =   0.850%  kept
          HG2   LYS+  99 - HD2   PRO   52  27.77 +/- 2.69   0.724% *  4.7052% (0.57  1.00   0.02   0.02) =   0.439%  kept
          HG2   LYS+  38 - HD2   PRO   52  31.16 +/- 4.23   0.552% *  3.7260% (0.45  1.00   0.02   0.02) =   0.265%  kept
    Distance limit 3.65 A violated in 19 structures by 3.39 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 = 223.1:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  98.330% * 97.1447% (0.80  10.0 10.00   7.36 223.15) =  99.989%  kept
        T HA    SER   48 - HD3   PRO   52   9.37 +/- 0.91   0.698% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   SER   82 - HD3   PRO   52  21.41 +/- 4.48   0.125% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HD3   PRO   52  18.74 +/- 3.78   0.179% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  23.43 +/- 3.23   0.053% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  15.52 +/- 3.12   0.215% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  22.87 +/- 3.22   0.053% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.22 +/- 3.72   0.029% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  19.34 +/- 3.62   0.113% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  18.07 +/- 3.24   0.128% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  30.35 +/- 3.57   0.030% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.18 +/- 3.39   0.021% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  28.67 +/- 3.70   0.028% *  0.0212% (0.18   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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.34, residual support = 221.8:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  92.817% * 88.4375% (0.87  10.0 10.00   7.36 223.15) =  99.179%  kept
          HB2   CYS   53 - HD2   PRO   52   4.48 +/- 0.56   6.587% * 10.3047% (0.38   1.0  1.00   5.39  55.46) =   0.820%  kept
        T HB3   SER   82 - HD2   PRO   52  20.63 +/- 4.30   0.102% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  14.60 +/- 2.58   0.226% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.07 +/- 2.59   0.165% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.72 +/- 2.61   0.030% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.66 +/- 3.68   0.026% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.52 +/- 2.59   0.027% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.04 +/- 2.83   0.021% *  0.0457% (0.45   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 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   2.32 +/- 0.25  95.784% * 97.0168% (0.76  10.0  1.00   3.95  13.57) =  99.994%  kept
        T HA    ILE  103 - HD3   PRO   52  24.67 +/- 3.03   0.134% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - HD3   PRO   52  13.23 +/- 3.38   1.104% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  17.71 +/- 4.16   0.687% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HD3   PRO   52  10.92 +/- 1.41   1.209% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - HD3   PRO   52  28.83 +/- 3.20   0.060% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  15.11 +/- 1.77   0.442% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  18.88 +/- 3.46   0.266% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.51 +/- 4.67   0.239% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  36.66 +/- 6.17   0.037% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  34.85 +/- 4.82   0.039% *  0.0251% (0.20   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 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.13, residual support = 13.6:
      O   HA1   GLY   51 - HD2   PRO   52   3.09 +/- 0.31  90.559% * 92.3448% (0.34  10.0  1.00   5.13  13.57) =  99.947%  kept
        T HA    SER   85 - HD2   PRO   52  18.13 +/- 3.15   0.655% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.020%
          HB    THR   77 - HD2   PRO   52  12.11 +/- 3.37   3.438% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.011%
        T HA    ILE  103 - HD2   PRO   52  23.45 +/- 2.91   0.348% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.010%
          HA    ASP-  44 - HD2   PRO   52  13.67 +/- 1.70   1.335% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  79 - HD2   PRO   52  16.62 +/- 4.13   2.161% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HA    THR   39 - HD2   PRO   52  27.50 +/- 2.86   0.153% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HD2   PRO   52  20.66 +/- 4.39   0.669% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  35.38 +/- 5.82   0.095% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  29.79 +/- 3.48   0.126% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  33.56 +/- 4.49   0.099% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.68 +/- 3.45   0.362% *  0.0418% (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 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.1:
      O   HG2   PRO   52 - HD3   PRO   52   2.85 +/- 0.18  87.523% * 99.6603% (0.90  10.0   6.60 223.15) =  99.994%  kept
          HG2   MET   92 - HD3   PRO   52  10.34 +/- 4.69   9.051% *  0.0417% (0.38   1.0   0.02   0.02) =   0.004%
          QG    GLU- 114 - HD3   PRO   52  14.51 +/- 3.74   1.494% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD3   PRO   52  17.10 +/- 4.22   1.129% *  0.0585% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD3   PRO   52  15.25 +/- 1.25   0.627% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  29.89 +/- 4.07   0.113% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.62 +/- 3.62   0.062% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 223.1:
      O   HG3   PRO   52 - HD3   PRO   52   2.36 +/- 0.18  96.026% * 99.3977% (0.97  10.0  1.00   6.60 223.15) =  99.993%  kept
        T HB2   PRO   93 - HD3   PRO   52  10.52 +/- 2.62   2.792% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          HG2   PRO   58 - HD3   PRO   52  14.10 +/- 0.89   0.522% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD3   PRO   52  24.88 +/- 5.76   0.348% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.95 +/- 4.04   0.054% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  24.22 +/- 4.19   0.143% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  37.22 +/- 6.57   0.036% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.04 +/- 3.10   0.078% *  0.0318% (0.31   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 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.78, residual support = 222.4:
      O   HB3   PRO   52 - HD3   PRO   52   3.77 +/- 0.29  73.358% * 96.7682% (0.57  10.0   6.80 223.15) =  99.656%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.54 +/- 0.81  11.527% *  1.9878% (0.95   1.0   0.25   1.92) =   0.322%  kept
          QB    LYS+ 106 - HD3   PRO   52  17.56 +/- 3.34   3.591% *  0.1106% (0.65   1.0   0.02   0.02) =   0.006%
          HG3   PRO   68 - HD3   PRO   52  23.94 +/- 5.59   1.520% *  0.1675% (0.98   1.0   0.02   0.02) =   0.004%
          HB3   GLN   90 - HD3   PRO   52  15.95 +/- 4.12   1.613% *  0.1306% (0.76   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HD3   PRO   52  16.28 +/- 3.41   1.412% *  0.1174% (0.69   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HD3   PRO   52  11.35 +/- 1.07   3.109% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          HG    LEU  123 - HD3   PRO   52  21.88 +/- 4.84   1.341% *  0.0968% (0.57   1.0   0.02   0.02) =   0.002%
          HB    ILE  103 - HD3   PRO   52  25.02 +/- 3.68   0.598% *  0.1650% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   PRO   52  22.05 +/- 3.51   0.585% *  0.1578% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  27.65 +/- 2.97   0.246% *  0.1428% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.77 +/- 2.87   0.464% *  0.0528% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.12 +/- 1.69   0.314% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  32.11 +/- 4.69   0.322% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 6.07, residual support = 55.4:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.00  93.927% * 99.2988% (0.61   6.07  55.46) =  99.986%  kept
          HN    LEU   80 - HD3   PRO   52  17.13 +/- 4.49   5.506% *  0.2024% (0.38   0.02   0.02) =   0.012%
          HN    THR   26 - HD3   PRO   52  26.68 +/- 3.05   0.307% *  0.3489% (0.65   0.02   0.02) =   0.001%
          HN    ALA   34 - HD3   PRO   52  29.35 +/- 3.20   0.260% *  0.1499% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.21 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   3.01 +/- 0.97  98.678% * 99.4734% (0.92   3.55  13.57) =  99.993%  kept
          HN    VAL  107 - HD3   PRO   52  17.13 +/- 3.44   1.322% *  0.5266% (0.87   0.02   0.02) =   0.007%
    Distance limit 4.08 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 1.67, residual support = 1.82:
          HN    ARG+  54 - HD2   PRO   52   4.39 +/- 0.24  65.432% * 83.3881% (0.61   1.77   1.92) =  93.767%  kept
          HN    PHE   55 - HD2   PRO   52   5.95 +/- 0.32  27.468% * 12.9751% (0.73   0.23   0.35) =   6.125%  kept
          HN    ASP-  62 - HD2   PRO   52  13.93 +/- 2.12   2.922% *  1.4375% (0.92   0.02   0.02) =   0.072%
          HN    ALA   88 - HD2   PRO   52  18.06 +/- 3.69   3.455% *  0.3883% (0.25   0.02   0.02) =   0.023%
          HN    LEU   31 - HD2   PRO   52  25.89 +/- 2.85   0.448% *  1.5028% (0.97   0.02   0.02) =   0.012%
          HN    LYS+  38 - HD2   PRO   52  30.51 +/- 3.18   0.275% *  0.3082% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.56 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.5:
          HN    CYS   53 - HD2   PRO   52   2.27 +/- 0.02  98.149% * 99.4794% (0.61   8.19  55.46) =  99.997%  kept
          HN    LEU   80 - HD2   PRO   52  16.07 +/- 4.31   1.703% *  0.1503% (0.38   0.02   0.02) =   0.003%
          HN    THR   26 - HD2   PRO   52  25.47 +/- 2.63   0.081% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.01 +/- 2.78   0.067% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 1.49, residual support = 8.09:
          QB    CYS   50 - HB3   CYS   53   3.77 +/- 0.64  84.781% * 96.8433% (0.92   1.50   8.11) =  99.813%  kept
          QE    LYS+  74 - HB3   CYS   53  11.92 +/- 3.44   7.931% *  1.3252% (0.95   0.02   0.02) =   0.128%  kept
          HB3   ASP-  78 - HB3   CYS   53  13.43 +/- 4.58   4.863% *  0.7931% (0.57   0.02   0.02) =   0.047%
          HB3   ASN   69 - HB3   CYS   53  21.03 +/- 3.71   0.836% *  0.7931% (0.57   0.02   0.02) =   0.008%
          HB2   PHE   72 - HB3   CYS   53  16.10 +/- 2.38   1.589% *  0.2453% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.12 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 = 8.11:
        T QB    CYS   50 - HB2   CYS   53   3.44 +/- 0.75  87.649% * 99.6254% (0.92 10.00   1.50   8.11) =  99.987%  kept
          QE    LYS+  74 - HB2   CYS   53  11.80 +/- 3.44   6.409% *  0.1291% (0.90  1.00   0.02   0.02) =   0.009%
          HB3   ASN   69 - HB2   CYS   53  20.93 +/- 3.61   0.743% *  0.1389% (0.97  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  13.71 +/- 4.62   3.977% *  0.0252% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB2   CYS   53  16.13 +/- 2.21   1.222% *  0.0815% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.931, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   4.51 +/- 1.36  74.588% * 41.1882% (0.95 10.00   0.02   0.02) =  95.696%  kept
        T HG13  ILE   19 - HA    CYS   53  21.20 +/- 2.23   1.685% * 24.6510% (0.57 10.00   0.02   0.02) =   1.294%  kept
          QB    ALA   91 - HA    CYS   53  11.18 +/- 2.55  10.506% *  3.9049% (0.90  1.00   0.02   0.02) =   1.278%  kept
        T HG    LEU   71 - HA    CYS   53  21.43 +/- 3.02   2.269% * 13.4389% (0.31 10.00   0.02   0.02) =   0.950%  kept
          HG2   LYS+  74 - HA    CYS   53  14.45 +/- 2.67   4.722% *  1.4852% (0.34  1.00   0.02   0.02) =   0.218%  kept
          QG2   THR   39 - HA    CYS   53  19.87 +/- 1.91   1.531% *  3.9049% (0.90  1.00   0.02   0.02) =   0.186%  kept
          QB    ALA   34 - HA    CYS   53  20.17 +/- 2.12   1.371% *  3.4865% (0.80  1.00   0.02   0.02) =   0.149%  kept
          QG2   THR   23 - HA    CYS   53  19.80 +/- 2.51   2.139% *  1.9521% (0.45  1.00   0.02   0.02) =   0.130%  kept
          HG3   LYS+  38 - HA    CYS   53  28.61 +/- 3.89   0.448% *  4.3541% (1.00  1.00   0.02   0.02) =   0.061%
          HG3   LYS+  99 - HA    CYS   53  24.53 +/- 2.72   0.742% *  1.6341% (0.38  1.00   0.02   0.02) =   0.038%
    Distance limit 3.33 A violated in 12 structures by 1.34 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.77, residual support = 44.2:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.04  97.816% * 99.7861% (0.61  10.0   4.77  44.24) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  16.31 +/- 4.24   1.895% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HA    CYS   53  24.39 +/- 2.27   0.152% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.57 +/- 2.50   0.137% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 4.91, residual support = 44.2:
      O   HN    CYS   53 - HB2   CYS   53   2.75 +/- 0.45  98.357% * 99.7861% (0.61  10.0   4.91  44.24) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  15.43 +/- 3.89   1.268% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYS   53  23.54 +/- 2.25   0.205% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.39 +/- 2.55   0.170% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.955, support = 5.46, residual support = 31.2:
          HN    ARG+  54 - HB2   CYS   53   3.33 +/- 0.32  73.831% * 94.2708% (0.97   5.53  31.73) =  98.444%  kept
          HN    PHE   55 - HB2   CYS   53   5.05 +/- 0.21  22.294% *  4.8784% (0.31   0.90   0.02) =   1.538%  kept
          HN    ASP-  62 - HB2   CYS   53  10.34 +/- 2.22   3.477% *  0.3341% (0.95   0.02   0.02) =   0.016%
          HN    LEU   31 - HB2   CYS   53  23.55 +/- 2.35   0.245% *  0.3167% (0.90   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   CYS   53  27.76 +/- 3.07   0.153% *  0.1999% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 5.53, residual support = 31.7:
          HN    ARG+  54 - HB3   CYS   53   3.78 +/- 0.36  91.478% * 99.1981% (0.87   5.53  31.73) =  99.979%  kept
          HN    ASP-  62 - HB3   CYS   53  10.53 +/- 2.31   7.740% *  0.2175% (0.53   0.02   0.02) =   0.019%
          HN    LYS+  38 - HB3   CYS   53  27.75 +/- 2.74   0.306% *  0.3990% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYS   53  23.48 +/- 2.39   0.477% *  0.1854% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 4.9, residual support = 169.1:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.79 +/- 0.22  81.627% * 99.0250% (0.87  10.0 10.00   4.91 169.42) =  99.818%  kept
          QB    ALA   57 - HD2   ARG+  54   7.11 +/- 1.76  17.356% *  0.8472% (0.20   1.0  1.00   0.75   0.02) =   0.182%  kept
          HB3   LEU  123 - HD2   ARG+  54  21.85 +/- 3.80   0.302% *  0.0512% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   ARG+  54  18.10 +/- 4.61   0.564% *  0.0254% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  27.07 +/- 4.36   0.151% *  0.0512% (0.45   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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.62, residual support = 168.7:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  93.342% * 80.9738% (0.87  10.0 10.00   3.62 169.42) =  99.516%  kept
          QB    PHE   55 - HD3   ARG+  54   6.25 +/- 1.14   3.170% *  6.7853% (0.49   1.0  1.00   2.99   4.16) =   0.283%  kept
          HB3   CYS   53 - HD3   ARG+  54   7.80 +/- 0.89   1.249% * 12.1082% (0.80   1.0  1.00   3.24  31.73) =   0.199%  kept
          HD3   PRO   68 - HD3   ARG+  54  20.26 +/- 6.38   1.523% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HD3   ARG+  54  13.94 +/- 4.09   0.391% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.22 +/- 1.56   0.325% *  0.0233% (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 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.62, residual support = 169.4:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.953% * 99.9131% (1.00  10.0 10.00   3.62 169.42) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  25.22 +/- 4.61   0.047% *  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 = 169.4:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.72 +/- 0.28  80.562% * 99.8484% (0.87  10.0 10.00   3.74 169.42) =  99.994%  kept
          QB    ALA   57 - HD3   ARG+  54   7.17 +/- 1.92  18.471% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU  123 - HD3   ARG+  54  22.14 +/- 3.51   0.325% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  18.39 +/- 4.50   0.515% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.98 +/- 4.45   0.128% *  0.0516% (0.45   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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.88, residual support = 169.1:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.56 +/- 0.28  79.221% * 97.6350% (0.49  10.0 10.00   3.89 169.42) =  99.823%  kept
        T HG3   PRO   68 - HD3   ARG+  54  21.74 +/- 7.54  15.695% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.167%  kept
          HB    ILE   56 - HD3   ARG+  54  10.38 +/- 1.05   1.445% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HD3   ARG+  54  31.72 +/- 7.60   0.612% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD3   ARG+  54  15.02 +/- 4.01   0.705% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HD3   ARG+  54  12.89 +/- 2.20   1.009% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  20.70 +/- 3.51   0.312% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   ARG+  54  19.70 +/- 2.68   0.242% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   ARG+  54  19.79 +/- 3.25   0.241% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  22.93 +/- 3.65   0.189% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  26.66 +/- 4.20   0.118% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.73 +/- 4.33   0.108% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.71 +/- 3.71   0.104% *  0.0899% (0.45   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 169.4:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.26 +/- 0.37  85.602% * 99.0727% (0.73  10.0   4.04 169.42) =  99.986%  kept
          HB3   PRO   68 - HD3   ARG+  54  22.00 +/- 7.49   8.526% *  0.0883% (0.65   1.0   0.02   0.02) =   0.009%
          HB2   PRO   93 - HD3   ARG+  54  13.57 +/- 3.06   1.944% *  0.0561% (0.41   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   ARG+  54  16.57 +/- 1.94   0.809% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HD3   ARG+  54  20.66 +/- 3.40   0.710% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  17.22 +/- 3.20   0.838% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  26.52 +/- 4.11   0.252% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  26.30 +/- 4.07   0.248% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  31.79 +/- 4.85   0.205% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  24.00 +/- 5.26   0.413% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  26.03 +/- 4.79   0.296% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  29.86 +/- 4.29   0.157% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 169.4:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  95.567% * 97.1361% (0.92  10.0 10.00   4.97 169.42) =  99.987%  kept
        T HG3   PRO   68 - HG3   ARG+  54  21.58 +/- 6.47   1.092% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.011%
          HB    ILE   56 - HG3   ARG+  54   9.32 +/- 0.83   0.695% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  27.22 +/- 3.91   0.037% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.91 +/- 1.35   1.502% *  0.0208% (0.20   1.0  1.00   0.02   1.92) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  19.89 +/- 4.09   0.149% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.82 +/- 3.24   0.101% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.27 +/- 2.69   0.100% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  20.59 +/- 3.62   0.089% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.39 +/- 3.56   0.085% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  14.72 +/- 4.07   0.366% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  31.29 +/- 6.82   0.131% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.29 +/- 3.64   0.043% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  26.05 +/- 3.64   0.043% *  0.0325% (0.31   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 169.4:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.65 +/- 0.25  95.067% * 97.7423% (0.31  10.0   5.12 169.42) =  99.989%  kept
          HB3   PRO   68 - HG3   ARG+  54  21.81 +/- 6.42   1.695% *  0.3104% (0.98   1.0   0.02   0.02) =   0.006%
          HB2   LYS+ 111 - HG3   ARG+  54  16.77 +/- 3.15   0.544% *  0.2420% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   ARG+  54  15.72 +/- 1.91   0.630% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   ARG+  54  23.52 +/- 4.63   0.245% *  0.2175% (0.69   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HG3   ARG+  54  20.20 +/- 3.34   0.391% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  25.68 +/- 3.65   0.147% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.83 +/- 1.58   0.570% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  25.64 +/- 4.23   0.162% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.91 +/- 3.51   0.139% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  31.48 +/- 4.12   0.090% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  29.17 +/- 4.16   0.112% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  23.48 +/- 3.63   0.210% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 169.4:
      O   HA    ARG+  54 - HG3   ARG+  54   3.29 +/- 0.64  95.928% * 99.5710% (1.00  10.0   5.75 169.42) =  99.998%  kept
          HA    LEU  115 - HG3   ARG+  54  15.42 +/- 1.40   1.282% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   ARG+  54  24.95 +/- 4.25   0.613% *  0.0976% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   ARG+  54  20.80 +/- 3.37   0.578% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  27.83 +/- 4.17   0.241% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  17.90 +/- 1.48   0.823% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  28.71 +/- 4.64   0.241% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  34.02 +/- 5.41   0.139% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.97 +/- 3.95   0.155% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 169.4:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.72 +/- 0.28  99.778% * 99.9462% (0.76  10.0 10.00   3.74 169.42) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.55 +/- 4.52   0.222% *  0.0538% (0.41   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 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.857, support = 4.87, residual support = 163.2:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.79 +/- 0.22  72.422% * 77.0427% (0.87  10.0 10.00   4.91 169.42) =  96.016%  kept
          QB    PHE   55 - HG3   ARG+  54   5.40 +/- 1.22  18.057% *  8.0453% (0.49   1.0  1.00   3.72   4.16) =   2.500%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.89 +/- 0.82   5.822% * 14.7857% (0.80   1.0  1.00   4.16  31.73) =   1.481%  kept
          HD3   PRO   93 - HG3   ARG+  54  13.60 +/- 4.14   1.514% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   ARG+  54  20.04 +/- 5.34   0.865% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   ARG+  54  11.36 +/- 1.44   1.320% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 6.68, residual support = 169.4:
          HN    ARG+  54 - HG3   ARG+  54   3.67 +/- 0.78  93.643% * 99.3350% (0.87   6.68 169.42) =  99.986%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.87 +/- 2.18   4.903% *  0.1804% (0.53   0.02   0.02) =   0.010%
          HN    LYS+  38 - HG3   ARG+  54  31.07 +/- 5.57   0.848% *  0.3309% (0.97   0.02   0.02) =   0.003%
          HN    LEU   31 - HG3   ARG+  54  27.53 +/- 3.91   0.606% *  0.1537% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 169.4:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  90.021% * 98.1061% (0.87  10.0 10.00   4.97 169.42) =  99.992%  kept
        T HG3   ARG+  54 - HG3   PRO   68  21.58 +/- 6.47   1.032% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  123 - HG3   PRO   68  15.25 +/- 7.68   1.306% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   ARG+  54   6.01 +/- 1.57   6.869% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  123 - HG2   ARG+  54  21.00 +/- 3.51   0.090% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.60 +/- 4.23   0.147% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.42 +/- 3.06   0.214% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.03 +/- 3.82   0.039% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  26.35 +/- 3.95   0.033% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  15.46 +/- 2.69   0.248% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.158, support = 3.26, residual support = 36.7:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  71.888% * 33.8555% (0.12  10.0  1.00   2.31  36.68) =  63.005%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.69 +/- 0.31  22.647% * 63.0750% (0.22  10.0  1.00   4.89  36.68) =  36.979%  kept
          HB3   PRO   68 - HG2   ARG+  54  21.36 +/- 6.55   0.763% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HG2   PRO   68 - HG2   ARG+  54  20.94 +/- 6.64   1.259% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - HG3   PRO   68  11.96 +/- 3.82   0.978% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG3   PRO   68  12.44 +/- 3.51   0.904% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HG2   ARG+  54  16.24 +/- 3.10   0.122% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  15.38 +/- 1.88   0.126% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  25.39 +/- 3.48   0.031% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  23.21 +/- 4.44   0.049% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  25.30 +/- 3.98   0.037% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.92 +/- 2.25   0.246% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  15.21 +/- 2.03   0.139% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  23.04 +/- 3.40   0.043% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  28.76 +/- 4.05   0.022% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  25.21 +/- 3.52   0.031% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  15.43 +/- 4.75   0.240% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  16.87 +/- 2.43   0.103% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  19.34 +/- 2.85   0.064% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  24.02 +/- 3.81   0.035% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  20.17 +/- 6.08   0.131% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  25.85 +/- 2.15   0.025% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.99 +/- 2.38   0.099% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  30.94 +/- 4.02   0.018% *  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 = 0.736, support = 4.84, residual support = 140.5:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.85 +/- 0.19  35.120% * 68.3751% (0.87  10.0 10.00   4.89 169.42) =  78.943%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  42.433% * 11.9085% (0.15  10.0  1.00   4.93  36.68) =  16.612%  kept
          QB    PHE   55 - HG2   ARG+  54   5.14 +/- 1.58  12.790% *  6.8101% (0.49   1.0  1.00   3.55   4.16) =   2.863%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.44 +/- 0.60   3.788% * 12.5667% (0.80   1.0  1.00   3.98  31.73) =   1.565%  kept
        T HD2   ARG+  54 - HG3   PRO   68  21.95 +/- 7.38   2.326% *  0.1825% (0.23   1.0 10.00   0.02   0.02) =   0.014%
          HD3   PRO   68 - HG2   ARG+  54  19.58 +/- 5.49   0.798% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  13.16 +/- 3.92   0.577% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  10.74 +/- 1.58   0.803% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG3   PRO   68  19.65 +/- 5.02   0.540% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.65 +/- 3.81   0.346% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.97 +/- 2.83   0.348% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.84 +/- 3.98   0.133% *  0.0128% (0.16   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 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 3.89, residual support = 169.3:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.56 +/- 0.28  83.469% * 99.7339% (0.31  10.0 10.00   3.89 169.42) =  99.947%  kept
        T HD3   ARG+  54 - HG3   PRO   68  21.74 +/- 7.54  16.531% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.053%
    Distance limit 3.67 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 = 5.68, residual support = 169.4:
      O T HA    ARG+  54 - HG2   ARG+  54   2.95 +/- 0.62  82.637% * 97.8074% (1.00  10.0 10.00   5.69 169.42) =  99.965%  kept
        T HA    ARG+  54 - HG3   PRO   68  19.69 +/- 5.75   6.066% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.020%
        T HA    LEU  115 - HG2   ARG+  54  14.87 +/- 1.90   1.063% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  81 - HG2   ARG+  54  20.36 +/- 2.80   0.365% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  124 - HG3   PRO   68  15.74 +/- 8.30   4.810% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU  115 - HG3   PRO   68  17.87 +/- 3.07   0.612% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  25.59 +/- 3.55   0.199% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  24.68 +/- 3.84   0.339% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.40 +/- 1.93   0.638% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.27 +/- 2.84   0.917% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  27.31 +/- 4.05   0.160% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  18.92 +/- 4.53   0.696% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.17 +/- 4.55   0.179% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  33.48 +/- 5.22   0.103% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  21.16 +/- 2.43   0.312% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.96 +/- 4.48   0.413% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.38 +/- 3.91   0.104% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  21.04 +/- 3.57   0.385% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 6.59, residual support = 169.4:
          HN    ARG+  54 - HG2   ARG+  54   3.40 +/- 0.47  86.031% * 99.0680% (0.87   6.59 169.42) =  99.983%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.33 +/- 2.46   2.877% *  0.1824% (0.53   0.02   0.02) =   0.006%
          HN    ARG+  54 - HG3   PRO   68  20.76 +/- 5.60   5.041% *  0.0802% (0.23   0.02   0.02) =   0.005%
          HN    LYS+  38 - HG3   PRO   68  16.43 +/- 2.85   1.656% *  0.0893% (0.26   0.02   0.02) =   0.002%
          HN    ASP-  62 - HG3   PRO   68  12.15 +/- 1.90   2.926% *  0.0487% (0.14   0.02   0.02) =   0.002%
          HN    LYS+  38 - HG2   ARG+  54  30.52 +/- 5.40   0.411% *  0.3345% (0.97   0.02   0.02) =   0.002%
          HN    LEU   31 - HG2   ARG+  54  27.00 +/- 3.80   0.332% *  0.1554% (0.45   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   PRO   68  18.70 +/- 2.28   0.725% *  0.0415% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.913, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   6.21 +/- 1.54  59.798% * 19.4000% (0.97   0.02   0.02) =  74.245%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  17.48 +/- 3.68   4.933% * 19.7041% (0.98   0.02   0.02) =   6.221%  kept
          HB3   LEU  123 - HB3   ARG+  54  20.71 +/- 3.97   4.456% * 19.4000% (0.97   0.02   0.02) =   5.533%  kept
          HD2   LYS+  74 - HB3   ARG+  54  17.24 +/- 3.27   5.782% * 14.5972% (0.73   0.02   0.02) =   5.402%  kept
          QD    LYS+  65 - HB3   ARG+  54  14.10 +/- 3.40  18.485% *  3.5205% (0.18   0.02   0.02) =   4.165%  kept
          QD    LYS+  33 - HB3   ARG+  54  25.96 +/- 3.77   2.804% * 19.4000% (0.97   0.02   0.02) =   3.482%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  19.45 +/- 2.78   3.741% *  3.9782% (0.20   0.02   0.02) =   0.952%  kept
    Distance limit 3.11 A violated in 17 structures by 2.88 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 169.4:
      O   HN    ARG+  54 - HB3   ARG+  54   3.04 +/- 0.64  89.865% * 99.7769% (0.87  10.0   5.36 169.42) =  99.993%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.17 +/- 2.75   9.772% *  0.0605% (0.53   1.0   0.02   0.02) =   0.007%
          HN    LYS+  38 - HB3   ARG+  54  30.58 +/- 5.49   0.170% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.92 +/- 4.11   0.193% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.59, residual support = 169.4:
      O   HN    ARG+  54 - HB2   ARG+  54   2.53 +/- 0.46  91.346% * 99.6984% (0.87  10.0   6.59 169.42) =  99.997%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.39 +/- 2.48   3.031% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB2   ARG+  54  30.54 +/- 5.46   0.341% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  14.28 +/- 3.91   1.554% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.86 +/- 4.16   0.310% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  18.64 +/- 5.05   0.817% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  14.56 +/- 2.94   0.979% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  19.21 +/- 4.61   1.023% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  19.84 +/- 2.73   0.296% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  28.37 +/- 4.11   0.112% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.86 +/- 6.65   0.073% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.10 +/- 3.97   0.117% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.25, support = 1.46, residual support = 28.9:
          QE    PHE   59 - HA    LEU  115   3.35 +/- 0.63  61.205% * 69.1525% (0.25   1.50  29.70) =  96.545%  kept
          QD    PHE   60 - HA    LEU  115  10.01 +/- 2.25   5.928% * 10.5304% (0.17   0.32   0.02) =   1.424%  kept
          QD    PHE   60 - HA    ARG+  54   7.73 +/- 2.43  15.408% *  2.1186% (0.57   0.02   0.02) =   0.745%  kept
          HN    PHE   59 - HA    LEU  115   8.82 +/- 0.80   3.745% *  7.6466% (0.13   0.32  29.70) =   0.653%  kept
          HN    PHE   59 - HA    ARG+  54   7.95 +/- 1.10   6.737% *  1.5384% (0.41   0.02   0.02) =   0.236%  kept
          QE    PHE   59 - HA    ARG+  54  10.36 +/- 1.35   3.116% *  2.9965% (0.80   0.02   0.02) =   0.213%  kept
          HN    LYS+  66 - HA    ARG+  54  14.37 +/- 3.59   1.761% *  3.6681% (0.98   0.02   0.02) =   0.147%  kept
          HN    LYS+  66 - HA    LEU  115  14.54 +/- 1.63   0.862% *  1.1287% (0.30   0.02   0.02) =   0.022%
          HN    LYS+  81 - HA    ARG+  54  20.18 +/- 3.40   0.460% *  0.9331% (0.25   0.02   0.02) =   0.010%
          HN    LYS+  81 - HA    LEU  115  21.09 +/- 3.67   0.779% *  0.2871% (0.08   0.02   0.02) =   0.005%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.878, support = 6.13, residual support = 147.5:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.08  61.957% * 75.5578% (0.97  10.0   6.57 169.42) =  86.748%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.52 +/- 0.03  29.577% * 24.1648% (0.31  10.0   3.28   4.16) =  13.244%  kept
          HN    ASP-  62 - HA    ARG+  54  10.19 +/- 2.36   5.116% *  0.0741% (0.95   1.0   0.02   0.02) =   0.007%
          HN    ASP-  62 - HA    LEU  115  10.80 +/- 1.13   1.215% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  13.22 +/- 1.94   0.712% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  25.33 +/- 3.45   0.118% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.08 +/- 2.04   0.945% *  0.0074% (0.09   1.0   0.02   4.57) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  28.92 +/- 4.69   0.116% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.04 +/- 2.27   0.143% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.05 +/- 2.30   0.101% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.565, support = 4.32, residual support = 22.7:
          HN    ILE   56 - QB    PHE   55   2.80 +/- 0.41  83.789% * 95.3379% (0.57   4.33  22.77) =  99.761%  kept
          QE    PHE   60 - QB    PHE   55   9.59 +/- 2.14   6.669% *  2.3835% (0.25   0.25   0.02) =   0.199%  kept
          HN    LEU   63 - QB    PHE   55  11.26 +/- 1.39   2.099% *  0.5337% (0.69   0.02   0.02) =   0.014%
          HN    LYS+ 111 - QB    PHE   55  10.96 +/- 4.21   5.348% *  0.1730% (0.22   0.02   0.02) =   0.012%
          HZ2   TRP   87 - QB    PHE   55  19.50 +/- 4.71   1.294% *  0.6490% (0.84   0.02   0.02) =   0.010%
          HD21  ASN   28 - QB    PHE   55  23.81 +/- 4.11   0.355% *  0.7499% (0.97   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  18.52 +/- 3.37   0.447% *  0.1730% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 0.724, support = 3.14, residual support = 21.0:
      O   HN    PHE   55 - QB    PHE   55   2.07 +/- 0.10  88.108% * 87.1754% (0.73  10.0   3.13  21.29) =  98.298%  kept
          HN    ARG+  54 - QB    PHE   55   4.23 +/- 0.24  10.595% * 12.5442% (0.61   1.0   3.45   4.16) =   1.701%  kept
          HN    ASP-  62 - QB    PHE   55  10.68 +/- 0.88   0.700% *  0.1108% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.87 +/- 3.31   0.143% *  0.1159% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.95 +/- 3.50   0.369% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.61 +/- 3.86   0.084% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.863, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.50 +/- 1.47  64.504% * 36.5548% (0.90   0.02   0.02) =  74.002%  kept
          HN    LYS+  81 - QB    PHE   55  19.38 +/- 3.81  13.100% * 40.3993% (0.99   0.02   0.02) =  16.609%  kept
          HN    LYS+  66 - QB    PHE   55  14.57 +/- 1.79  15.124% * 16.7569% (0.41   0.02   0.02) =   7.954%  kept
          HE3   TRP   27 - QB    PHE   55  20.50 +/- 3.00   7.273% *  6.2891% (0.15   0.02   0.02) =   1.435%  kept
    Distance limit 3.27 A violated in 20 structures by 5.06 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.254, support = 5.9, residual support = 123.8:
      O   HN    ILE   56 - HB    ILE   56   3.67 +/- 0.32  75.031% * 91.3813% (0.25  10.0   5.99 125.67) =  98.447%  kept
          QE    PHE   60 - HB    ILE   56   8.97 +/- 1.60  13.621% *  7.7805% (0.57   1.0   0.75   4.32) =   1.522%  kept
          HN    LEU   63 - HB    ILE   56   8.46 +/- 1.37   8.256% *  0.1250% (0.34   1.0   0.02   0.02) =   0.015%
          HZ2   TRP   87 - HB    ILE   56  19.70 +/- 4.43   2.707% *  0.3665% (1.00   1.0   0.02   0.02) =   0.014%
          HD21  ASN   28 - HB    ILE   56  23.97 +/- 3.16   0.386% *  0.3467% (0.95   1.0   0.02   0.02) =   0.002%
    Distance limit 3.24 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.511, support = 2.25, residual support = 17.4:
          QD    PHE   55 - HB    ILE   56   4.74 +/- 0.98  57.805% * 61.4198% (0.41   2.72  22.77) =  76.097%  kept
          QE    PHE   95 - HB    ILE   56   6.92 +/- 2.38  32.160% * 34.4129% (0.84   0.75   0.36) =  23.721%  kept
          HN    LEU   67 - HB    ILE   56  13.62 +/- 1.70   3.277% *  1.0889% (0.99   0.02   0.02) =   0.076%
          HD1   TRP   49 - HB    ILE   56  14.88 +/- 1.61   2.215% *  0.8396% (0.76   0.02   0.02) =   0.040%
          HN    THR   23 - HB    ILE   56  21.80 +/- 3.33   1.507% *  0.9530% (0.87   0.02   0.02) =   0.031%
          HD2   HIS   22 - HB    ILE   56  22.03 +/- 4.07   1.740% *  0.6664% (0.61   0.02   0.02) =   0.025%
          HE3   TRP   27 - HB    ILE   56  19.80 +/- 2.27   0.963% *  0.3748% (0.34   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB    ILE   56  27.82 +/- 3.70   0.333% *  0.2446% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.78, residual support = 125.6:
      O T QD1   ILE   56 - HB    ILE   56   3.00 +/- 0.35  91.792% * 99.4902% (0.87  10.0 10.00   4.78 125.67) =  99.982%  kept
        T QD2   LEU  123 - HB    ILE   56  11.24 +/- 2.91   4.813% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.015%
          QD2   LEU   73 - HB    ILE   56  14.48 +/- 2.24   1.923% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB    ILE   56  14.38 +/- 1.96   1.126% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  22.13 +/- 2.72   0.346% *  0.0514% (0.45   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 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 125.7:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  96.663% * 98.2187% (0.87  10.0 10.00   4.21 125.67) =  99.986%  kept
        T QD2   LEU   73 - QG1   ILE   56  12.34 +/- 2.22   1.217% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 121 - QG1   ILE   56  12.39 +/- 1.33   0.407% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - QG1   ILE   56  10.26 +/- 2.28   1.585% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  19.15 +/- 2.51   0.128% *  0.0508% (0.45   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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.32, residual support = 125.7:
        T QG2   ILE   56 - QD1   ILE   56   2.16 +/- 0.45  93.690% * 98.5057% (0.72 10.00   5.32 125.67) =  99.993%  kept
        T QB    ALA   34 - QD1   ILE   56  16.01 +/- 2.32   0.392% *  1.1899% (0.87 10.00   0.02   0.02) =   0.005%
          QG2   THR   77 - QD1   ILE   56   9.27 +/- 1.82   3.445% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD1   ILE   56  10.51 +/- 2.21   1.456% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD1   ILE   56  17.09 +/- 2.53   0.376% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.43 +/- 2.34   0.438% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.33 +/- 3.92   0.202% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.859, support = 1.48, residual support = 1.22:
          QB    ALA   61 - QD1   ILE   56   6.93 +/- 1.17  18.533% * 55.6092% (0.94  1.00   1.81   1.71) =  66.712%  kept
          QB    ALA  110 - QD1   ILE   56   8.84 +/- 3.27  11.179% * 29.2139% (0.85  1.00   1.06   0.33) =  21.139%  kept
          HB3   LEU  115 - QD1   ILE   56   5.66 +/- 2.30  30.249% *  3.6771% (0.21  1.00   0.54   0.11) =   7.200%  kept
          QG    LYS+  66 - QD1   ILE   56  10.28 +/- 1.83   8.862% *  6.6899% (0.82  1.00   0.25   0.02) =   3.838%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  11.98 +/- 1.58   5.428% *  1.7125% (0.26 10.00   0.02   0.02) =   0.602%  kept
          HB3   LEU   67 - QD1   ILE   56  12.55 +/- 1.87   3.333% *  0.6037% (0.93  1.00   0.02   0.02) =   0.130%  kept
          HG    LEU   73 - QD1   ILE   56  15.12 +/- 3.07   4.218% *  0.4231% (0.65  1.00   0.02   0.02) =   0.116%  kept
          HG    LEU   80 - QD1   ILE   56  17.24 +/- 3.67   1.862% *  0.5686% (0.87  1.00   0.02   0.02) =   0.069%
          HG    LEU   40 - QD1   ILE   56  14.83 +/- 3.39   6.504% *  0.1371% (0.21  1.00   0.02   0.02) =   0.058%
          HG12  ILE   19 - QD1   ILE   56  17.30 +/- 2.69   1.225% *  0.5145% (0.79  1.00   0.02   0.02) =   0.041%
          HB2   LEU   80 - QD1   ILE   56  16.33 +/- 3.31   2.245% *  0.2532% (0.39  1.00   0.02   0.02) =   0.037%
          HB3   LYS+  74 - QD1   ILE   56  13.74 +/- 2.67   2.384% *  0.1536% (0.24  1.00   0.02   0.02) =   0.024%
          HG    LEU   67 - QD1   ILE   56  12.75 +/- 2.02   3.207% *  0.0950% (0.15  1.00   0.02   0.02) =   0.020%
          HG2   LYS+ 102 - QD1   ILE   56  21.38 +/- 3.11   0.772% *  0.3487% (0.54  1.00   0.02   0.02) =   0.017%
    Distance limit 3.20 A violated in 8 structures by 1.38 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.21, residual support = 125.7:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  94.491% * 98.9931% (0.85  10.0 10.00   4.21 125.67) =  99.994%  kept
        T HB2   LEU   73 - QD1   ILE   56  15.36 +/- 2.86   0.513% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - QD1   ILE   56   9.48 +/- 3.12   2.221% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   ILE   56  10.83 +/- 3.39   1.267% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  12.51 +/- 2.45   0.455% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.94 +/- 2.67   0.622% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.96 +/- 3.05   0.233% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.86 +/- 2.99   0.198% *  0.0884% (0.76   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 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.75, residual support = 124.6:
      O T HB    ILE   56 - QD1   ILE   56   3.00 +/- 0.35  81.191% * 89.8969% (0.72  10.0 10.00   4.78 125.67) =  99.169%  kept
          HB3   PRO   58 - QD1   ILE   56   7.01 +/- 0.53   6.967% *  8.5599% (0.85   1.0  1.00   1.62   0.02) =   0.810%  kept
          HB2   MET   92 - QD1   ILE   56  10.32 +/- 3.24   6.315% *  0.1166% (0.94   1.0  1.00   0.02   0.02) =   0.010%
        T HB3   GLN   30 - QD1   ILE   56  18.53 +/- 2.27   0.511% *  1.1659% (0.94   1.0 10.00   0.02   0.02) =   0.008%
          QB    LYS+ 106 - QD1   ILE   56  11.51 +/- 2.21   1.918% *  0.0401% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  21.74 +/- 4.03   0.708% *  0.1055% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   ILE   56  15.63 +/- 2.64   0.912% *  0.0363% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.75 +/- 2.22   0.907% *  0.0293% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.57 +/- 2.72   0.395% *  0.0233% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.34 +/- 5.10   0.177% *  0.0262% (0.21   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 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.44, residual support = 5.24:
        T HA    LYS+ 112 - QD1   ILE   56   6.13 +/- 3.23  50.399% * 99.8095% (0.79 10.00   1.45   5.24) =  99.929%  kept
          HB2   HIS  122 - QD1   ILE   56  11.15 +/- 2.84  24.993% *  0.0936% (0.54  1.00   0.02   0.02) =   0.046%
          HB    THR   46 - QD1   ILE   56   8.75 +/- 1.84  19.740% *  0.0510% (0.29  1.00   0.02   0.02) =   0.020%
          HB2   HIS   22 - QD1   ILE   56  18.63 +/- 3.56   4.868% *  0.0460% (0.26  1.00   0.02   0.02) =   0.004%
    Distance limit 3.23 A violated in 9 structures by 2.95 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 3.58, residual support = 20.7:
          HA    PHE   55 - QD1   ILE   56   4.26 +/- 0.81  58.543% * 81.2856% (0.76   3.87  22.77) =  90.980%  kept
          HA    ALA  110 - QD1   ILE   56  10.29 +/- 4.17  26.376% * 17.7741% (0.94   0.68   0.33) =   8.963%  kept
          HA    VAL  107 - QD1   ILE   56  10.39 +/- 2.67   6.050% *  0.1968% (0.36   0.02   0.02) =   0.023%
          HA    GLN   90 - QD1   ILE   56  13.97 +/- 2.33   1.801% *  0.4960% (0.89   0.02   0.02) =   0.017%
          HA    VAL   42 - QD1   ILE   56  12.97 +/- 2.62   4.551% *  0.1167% (0.21   0.02   0.02) =   0.010%
          HA    ALA   91 - QD1   ILE   56  12.53 +/- 2.58   2.680% *  0.1307% (0.24   0.02   0.02) =   0.007%
    Distance limit 3.11 A violated in 0 structures by 0.75 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  10.09 +/- 1.95 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 20 structures by 6.68 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.298, support = 1.55, residual support = 20.0:
          HN    PHE   59 - QD1   ILE   56   4.38 +/- 0.53  77.578% * 93.0986% (0.29   1.57  20.24) =  98.957%  kept
          HN    HIS  122 - QD1   ILE   56  10.70 +/- 2.01  16.919% *  3.3434% (0.82   0.02   0.02) =   0.775%  kept
          HH2   TRP   87 - QD1   ILE   56  16.41 +/- 3.67   5.503% *  3.5580% (0.87   0.02   0.02) =   0.268%  kept
    Distance limit 3.50 A violated in 1 structures by 0.81 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.423, support = 4.54, residual support = 30.9:
          HN    ALA   57 - QD1   ILE   56   3.72 +/- 1.08  66.902% * 95.7089% (0.42   4.60  31.40) =  98.536%  kept
          HE21  GLN  116 - QD1   ILE   56   7.27 +/- 2.94  30.615% *  3.0473% (0.36   0.17   0.02) =   1.436%  kept
          HE21  GLN   90 - QD1   ILE   56  15.83 +/- 2.92   1.742% *  0.8955% (0.91   0.02   0.02) =   0.024%
          HD21  ASN   35 - QD1   ILE   56  23.42 +/- 3.37   0.741% *  0.3483% (0.36   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.273, support = 5.52, residual support = 110.3:
          HN    ILE   56 - QD1   ILE   56   2.56 +/- 0.95  64.355% * 65.7563% (0.24   6.13 125.67) =  87.300%  kept
          QE    PHE   60 - QD1   ILE   56   6.93 +/- 2.46  18.892% * 32.2766% (0.54   1.33   4.32) =  12.579%  kept
          HN    LEU   63 - QD1   ILE   56   7.39 +/- 1.96  15.051% *  0.2934% (0.32   0.02   0.02) =   0.091%
          HZ2   TRP   87 - QD1   ILE   56  16.20 +/- 3.51   1.376% *  0.8601% (0.95   0.02   0.02) =   0.024%
          HD21  ASN   28 - QD1   ILE   56  19.96 +/- 2.91   0.327% *  0.8136% (0.89   0.02   0.02) =   0.005%
    Distance limit 3.55 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 0.954, residual support = 5.18:
          HN    LYS+ 112 - QD1   ILE   56   7.53 +/- 3.35  55.569% * 95.4506% (0.50   0.97   5.24) =  98.791%  kept
          HN    ASP-  78 - QD1   ILE   56  13.19 +/- 3.01  16.694% *  2.4309% (0.61   0.02   0.02) =   0.756%  kept
          HN    VAL   75 - QD1   ILE   56  11.60 +/- 1.97  25.176% *  0.8366% (0.21   0.02   0.02) =   0.392%  kept
          HN    MET   11 - QD1   ILE   56  28.29 +/- 4.88   2.561% *  1.2818% (0.32   0.02   0.02) =   0.061%
    Distance limit 3.74 A violated in 14 structures by 3.01 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.2:
        T HB3   PHE   59 - QG1   ILE   56   2.85 +/- 0.70  91.126% * 99.8494% (0.38 10.00   3.00  20.24) =  99.985%  kept
          HB2   PHE   95 - QG1   ILE   56   8.85 +/- 2.38   8.874% *  0.1506% (0.57  1.00   0.02   0.36) =   0.015%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.384, support = 2.7, residual support = 20.5:
        T HB2   PHE   59 - QG1   ILE   56   2.98 +/- 0.97  53.089% * 70.1676% (0.34 10.00   2.48  20.24) =  84.370%  kept
          QB    PHE   55 - QG1   ILE   56   4.45 +/- 1.02  26.935% * 24.8402% (0.61  1.00   3.98  22.77) =  15.154%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.88 +/- 1.13   3.260% *  3.9398% (0.95  1.00   0.40   0.02) =   0.291%  kept
          HB3   CYS   53 - QG1   ILE   56   6.59 +/- 1.30   9.291% *  0.7616% (0.90  1.00   0.08   0.02) =   0.160%  kept
          HD3   PRO   93 - QG1   ILE   56   9.54 +/- 3.61   6.632% *  0.1494% (0.73  1.00   0.02   0.02) =   0.022%
          HD3   PRO   68 - QG1   ILE   56  13.73 +/- 2.19   0.794% *  0.1413% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 4.11 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  10.04 +/- 1.45 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.97 A violated in 20 structures by 6.07 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.34, support = 1.97, residual support = 20.2:
          QD    PHE   59 - QG1   ILE   56   3.25 +/- 0.70  87.702% * 96.4417% (0.34   1.97  20.24) =  99.818%  kept
          HN    HIS  122 - QG1   ILE   56  10.49 +/- 1.82   6.864% *  1.1807% (0.41   0.02   0.02) =   0.096%
          HH2   TRP   87 - QG1   ILE   56  16.96 +/- 3.70   4.740% *  1.3980% (0.49   0.02   0.02) =   0.078%
          HD1   TRP   27 - QG1   ILE   56  19.54 +/- 2.58   0.693% *  0.9797% (0.34   0.02   0.02) =   0.008%
    Distance limit 3.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.01, residual support = 125.5:
      O   HN    ILE   56 - HA    ILE   56   2.80 +/- 0.17  90.261% * 96.4224% (0.25  10.0   5.02 125.67) =  99.849%  kept
          QE    PHE   60 - HA    ILE   56   9.26 +/- 1.63   4.346% *  2.6933% (0.57   1.0   0.25   4.32) =   0.134%  kept
          HZ2   TRP   87 - HA    ILE   56  20.78 +/- 5.06   2.629% *  0.3867% (1.00   1.0   0.02   0.02) =   0.012%
          HN    LEU   63 - HA    ILE   56   9.41 +/- 0.92   2.587% *  0.1319% (0.34   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - HA    ILE   56  25.02 +/- 3.62   0.177% *  0.3658% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 5.06, residual support = 25.2:
        T HD2   PRO   58 - QB    ALA   57   2.57 +/- 0.47  64.355% * 98.8080% (0.95 10.00   5.06  25.25) =  99.967%  kept
          HB2   CYS   53 - QB    ALA   57   5.52 +/- 2.91  34.233% *  0.0356% (0.34  1.00   0.02   0.02) =   0.019%
        T HA    VAL   83 - QB    ALA   57  18.30 +/- 4.47   0.843% *  1.0238% (0.98 10.00   0.02   0.02) =   0.014%
          HA    GLU- 100 - QB    ALA   57  22.20 +/- 2.31   0.160% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.64 +/- 3.49   0.409% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.84, residual support = 24.1:
      O   HN    ALA   57 - QB    ALA   57   2.40 +/- 0.46  85.105% * 98.4865% (0.18  10.0   4.84  24.14) =  99.967%  kept
          HE21  GLN  116 - QB    ALA   57   9.99 +/- 2.52  10.404% *  0.1252% (0.22   1.0   0.02   0.02) =   0.016%
          HN    ALA  124 - QB    ALA   57  15.18 +/- 2.91   1.010% *  0.4697% (0.84   1.0   0.02   0.02) =   0.006%
          HN    ALA  120 - QB    ALA   57  11.87 +/- 1.48   1.353% *  0.3184% (0.57   1.0   0.02   0.02) =   0.005%
          HN    LEU  123 - QB    ALA   57  13.28 +/- 2.63   1.592% *  0.1918% (0.34   1.0   0.02   0.02) =   0.004%
          HE21  GLN   17 - QB    ALA   57  17.34 +/- 3.34   0.536% *  0.4084% (0.73   1.0   0.02   0.02) =   0.003%
    Distance limit 2.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.44, residual support = 24.1:
      O   HN    ALA   57 - HA    ALA   57   2.74 +/- 0.20  95.082% * 99.6015% (0.57  10.0   4.45  24.14) =  99.994%  kept
          HE21  GLN  116 - HA    ALA   57  11.17 +/- 2.86   3.074% *  0.1138% (0.65   1.0   0.02   0.02) =   0.004%
          HN    ALA  120 - HA    ALA   57  13.08 +/- 1.22   1.043% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HN    ALA  124 - HA    ALA   57  17.55 +/- 2.39   0.459% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  19.95 +/- 3.68   0.342% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 24.1:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  90.568% * 98.9094% (0.53  10.0 10.00   2.81  24.14) =  99.993%  kept
          HG3   PRO   93 - HA    ALA   57  11.22 +/- 5.12   6.081% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HA    ALA   57  11.10 +/- 1.86   0.843% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    ALA   57  13.35 +/- 4.03   0.710% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    ALA   57  14.27 +/- 1.40   0.344% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    ALA   57  19.60 +/- 4.95   0.227% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  22.97 +/- 4.59   0.217% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  17.64 +/- 3.21   0.229% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  16.14 +/- 2.22   0.266% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  15.50 +/- 1.88   0.287% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.47 +/- 3.58   0.131% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.17 +/- 3.56   0.100% *  0.0580% (0.31   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 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  24.20 +/- 2.71   8.944% * 37.3861% (1.00   0.02   0.02) =  25.698%  kept
          HN    CYS   53 - HB2   PRO   58  12.07 +/- 1.15  52.944% *  5.7685% (0.15   0.02   0.02) =  23.472%  kept
          HN    SER   85 - HB2   PRO   58  23.08 +/- 4.61   9.969% * 29.9364% (0.80   0.02   0.02) =  22.936%  kept
          HN    LEU   80 - HB2   PRO   58  20.14 +/- 5.24  18.175% * 11.5391% (0.31   0.02   0.02) =  16.119%  kept
          HN    ALA   34 - HB2   PRO   58  23.17 +/- 2.52   9.968% * 15.3699% (0.41   0.02   0.02) =  11.775%  kept
    Distance limit 3.98 A violated in 19 structures by 7.42 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.61, support = 6.19, residual support = 39.8:
      O   HN    PHE   59 - HB3   PRO   58   3.88 +/- 0.31  59.821% * 89.1487% (0.61  10.0   6.29  39.81) =  97.895%  kept
          QE    PHE   59 - HB3   PRO   58   7.67 +/- 1.03  10.677% * 10.1497% (0.83   1.0   1.67  39.81) =   1.989%  kept
          QD    PHE   60 - HB3   PRO   58   7.41 +/- 0.69   9.897% *  0.5645% (0.23   1.0   0.33   0.02) =   0.103%  kept
          HN    LYS+  66 - HB3   PRO   58  11.45 +/- 3.08   3.726% *  0.0938% (0.64   1.0   0.02   0.02) =   0.006%
          HN    HIS  122 - HB3   PRO   58  11.43 +/- 3.36  13.207% *  0.0243% (0.17   1.0   0.02   0.02) =   0.006%
          HH2   TRP   87 - HB3   PRO   58  21.63 +/- 4.40   2.672% *  0.0189% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.6:
      O   HD2   PRO   58 - HG3   PRO   58   2.44 +/- 0.25  97.052% * 99.7269% (0.95  10.0   5.39 147.61) =  99.998%  kept
          HA    VAL   83 - HG3   PRO   58  24.10 +/- 5.11   0.865% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG3   PRO   58  10.14 +/- 1.95   1.855% *  0.0360% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HG3   PRO   58  26.97 +/- 3.15   0.086% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  26.07 +/- 3.51   0.142% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 147.6:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  92.696% * 99.2991% (0.76  10.0   4.50 147.61) =  99.992%  kept
          HA    THR   46 - HG3   PRO   58  13.76 +/- 3.01   3.311% *  0.1254% (0.97   1.0   0.02   0.02) =   0.005%
          HA    GLN   17 - HG3   PRO   58  19.53 +/- 3.43   0.987% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  17.90 +/- 2.28   1.195% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  21.36 +/- 2.97   0.735% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  23.60 +/- 2.43   0.461% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  27.36 +/- 3.27   0.322% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  28.56 +/- 3.64   0.293% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.64, residual support = 25.2:
          HN    ALA   57 - HD2   PRO   58   2.12 +/- 0.76  82.898% * 98.6016% (0.54   5.64  25.25) =  99.914%  kept
          HE21  GLN  116 - HD2   PRO   58   9.79 +/- 2.70  13.476% *  0.3993% (0.61   0.02   0.02) =   0.066%
          HN    ALA  120 - HD2   PRO   58  12.01 +/- 1.89   2.207% *  0.5957% (0.91   0.02   0.02) =   0.016%
          HN    ALA  124 - HD2   PRO   58  16.33 +/- 3.25   1.160% *  0.2317% (0.36   0.02   0.02) =   0.003%
          HE21  GLN   17 - HD2   PRO   58  21.12 +/- 3.77   0.258% *  0.1716% (0.26   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.6:
      O   HA    PRO   58 - HD3   PRO   58   3.93 +/- 0.08  61.847% * 99.2639% (0.72  10.0   6.52 147.61) =  99.984%  kept
          HA    THR   46 - HD3   PRO   58  11.86 +/- 3.19   4.257% *  0.1254% (0.91   1.0   0.02   0.02) =   0.009%
          HA    GLN   17 - HD3   PRO   58  19.02 +/- 3.17   0.740% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68   9.67 +/- 4.34  13.372% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  16.56 +/- 2.71   1.280% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  20.39 +/- 3.10   0.667% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  23.16 +/- 2.27   0.342% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HD3   PRO   58  26.74 +/- 3.65   0.253% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  28.24 +/- 3.47   0.210% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.71 +/- 3.61   4.095% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  12.89 +/- 2.74   2.679% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  16.95 +/- 3.85   2.133% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.84 +/- 1.89   2.983% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.57 +/- 1.93   1.478% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.02 +/- 1.82   2.827% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.31 +/- 2.32   0.837% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.98, residual support = 25.2:
          HN    ALA   57 - HD3   PRO   58   2.41 +/- 0.59  78.627% * 97.9246% (0.54   3.98  25.25) =  99.878%  kept
          HE21  GLN  116 - HD3   PRO   58   9.21 +/- 2.90  12.546% *  0.5616% (0.61   0.02   0.02) =   0.091%
          HN    ALA  120 - HD3   PRO   58  11.30 +/- 1.74   2.134% *  0.8378% (0.91   0.02   0.02) =   0.023%
          HN    ALA  124 - HD3   PRO   58  15.92 +/- 2.83   1.200% *  0.3258% (0.36   0.02   0.02) =   0.005%
          HE21  GLN   17 - HD3   PRO   58  21.13 +/- 3.52   0.211% *  0.2414% (0.26   0.02   0.02) =   0.001%
          HN    ALA  124 - HD2   PRO   68  14.76 +/- 7.83   1.951% *  0.0144% (0.02   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  15.04 +/- 5.00   0.655% *  0.0371% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.37 +/- 3.27   1.749% *  0.0107% (0.01   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  16.88 +/- 4.85   0.458% *  0.0249% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  16.66 +/- 2.21   0.470% *  0.0218% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.2:
          QB    ALA   57 - HD3   PRO   58   3.06 +/- 0.81  67.092% * 96.7335% (0.87   3.30  25.25) =  99.939%  kept
          QD    LYS+  65 - HD3   PRO   58  11.53 +/- 2.07   2.322% *  0.3093% (0.46   0.02   0.02) =   0.011%
          HD2   LYS+  74 - HD3   PRO   58  15.30 +/- 3.84   1.059% *  0.6298% (0.94   0.02   0.02) =   0.010%
          HB3   LEU  123 - HD3   PRO   58  14.32 +/- 2.81   1.387% *  0.4110% (0.61   0.02   0.02) =   0.009%
          HD3   LYS+ 111 - HD3   PRO   58  16.67 +/- 2.81   0.842% *  0.5698% (0.85   0.02   0.02) =   0.007%
          HB2   LYS+ 121 - HD3   PRO   58  13.11 +/- 2.06   1.414% *  0.3343% (0.50   0.02   0.02) =   0.007%
          HB    VAL   83 - HD3   PRO   58  21.44 +/- 4.64   1.223% *  0.2612% (0.39   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HD2   PRO   68  13.31 +/- 3.68   8.361% *  0.0279% (0.04   0.02   0.02) =   0.004%
          QD    LYS+  33 - HD3   PRO   58  22.44 +/- 3.12   0.433% *  0.4110% (0.61   0.02   0.02) =   0.003%
          QD    LYS+  38 - HD3   PRO   58  23.54 +/- 4.48   0.572% *  0.1767% (0.26   0.02   0.02) =   0.002%
          HB3   LEU  123 - HD2   PRO   68  15.19 +/- 7.03   5.244% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   9.42 +/- 1.04   3.159% *  0.0137% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   68  13.90 +/- 4.47   2.246% *  0.0148% (0.02   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   PRO   68  14.48 +/- 1.87   1.072% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.66 +/- 2.80   1.383% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  15.02 +/- 2.90   1.640% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  25.16 +/- 3.73   0.271% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  22.40 +/- 3.19   0.282% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.06, residual support = 25.2:
        T QB    ALA   57 - HD2   PRO   58   2.57 +/- 0.47  92.965% * 97.4262% (0.87 10.00   5.06  25.25) =  99.970%  kept
        T HD2   LYS+  74 - HD2   PRO   58  15.33 +/- 3.91   0.889% *  1.0461% (0.94 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  65 - HD2   PRO   58  11.41 +/- 2.21   1.715% *  0.5137% (0.46 10.00   0.02   0.02) =   0.010%
        T HB    VAL   83 - HD2   PRO   58  21.53 +/- 5.01   1.444% *  0.4339% (0.39 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HD2   PRO   58  24.01 +/- 4.58   0.488% *  0.2934% (0.26 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HD2   PRO   58  14.77 +/- 3.08   0.878% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   58  13.88 +/- 2.48   0.893% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   PRO   58  17.29 +/- 2.51   0.427% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.67 +/- 3.12   0.301% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.7, residual support = 147.6:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.455% * 99.6708% (0.89  10.0 10.00   7.70 147.61) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.29 +/- 1.85   1.574% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HD3   PRO   58  22.70 +/- 4.41   0.144% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  16.76 +/- 1.97   0.132% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.99 +/- 3.02   0.036% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  25.32 +/- 3.62   0.051% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  18.26 +/- 5.42   0.191% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  18.21 +/- 4.03   0.190% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.67 +/- 2.35   0.178% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  23.80 +/- 3.15   0.048% *  0.0046% (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 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.7, residual support = 147.6:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.760% * 99.5891% (0.95  10.0 10.00   7.70 147.61) =  99.999%  kept
        T HD2   PRO   68 - HD2   PRO   58  16.76 +/- 1.97   0.134% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD2   PRO   58   9.00 +/- 0.76   0.786% *  0.0446% (0.42   1.0  1.00   0.02   0.87) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.87 +/- 3.61   0.321% *  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 = 0.681, support = 6.57, residual support = 39.8:
          HN    PHE   59 - HD2   PRO   58   3.36 +/- 0.57  78.792% * 86.2554% (0.69   6.65  39.81) =  98.337%  kept
          QE    PHE   59 - HD2   PRO   58   7.67 +/- 1.05   8.469% * 13.0560% (0.32   2.14  39.81) =   1.600%  kept
          HH2   TRP   87 - HD2   PRO   58  21.15 +/- 5.08   9.418% *  0.3382% (0.89   0.02   0.02) =   0.046%
          HN    HIS  122 - HD2   PRO   58  13.04 +/- 3.11   3.321% *  0.3504% (0.93   0.02   0.02) =   0.017%
    Distance limit 3.94 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 = 20.2:
        T QG1   ILE   56 - HB3   PHE   59   2.85 +/- 0.70  96.258% * 99.6917% (0.53 10.00   3.00  20.24) =  99.994%  kept
          HB    ILE   89 - HB3   PHE   59  15.45 +/- 2.62   2.329% *  0.1857% (0.98  1.00   0.02   0.02) =   0.005%
          HB3   LYS+  99 - HB3   PHE   59  18.92 +/- 3.50   1.413% *  0.1226% (0.65  1.00   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.529, support = 0.601, residual support = 5.21:
          HB3   ASP-  62 - HB3   PHE   59   5.24 +/- 1.08  48.737% * 56.7310% (0.45   0.75   6.41) =  73.525%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.56 +/- 2.74  32.649% * 26.9800% (0.80   0.20   2.10) =  23.424%  kept
          HB    VAL  107 - HB3   PHE   59   9.50 +/- 2.79  13.618% *  7.4035% (0.38   0.12   0.29) =   2.681%  kept
          HB3   PHE   45 - HB3   PHE   59  12.02 +/- 1.99   3.761% *  2.7020% (0.80   0.02   0.02) =   0.270%  kept
          HB3   ASP-  86 - HB3   PHE   59  20.82 +/- 2.82   0.811% *  2.9270% (0.87   0.02   0.02) =   0.063%
          HG2   GLU-  29 - HB3   PHE   59  25.50 +/- 2.52   0.423% *  3.2565% (0.97   0.02   0.02) =   0.037%
    Distance limit 3.96 A violated in 0 structures by 0.50 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 20.2:
        T QG1   ILE   56 - HB2   PHE   59   2.98 +/- 0.97  93.497% * 99.0024% (0.18 10.00   2.48  20.24) =  99.983%  kept
          HB    ILE   89 - HB2   PHE   59  15.85 +/- 2.73   2.242% *  0.3657% (0.65  1.00   0.02   0.02) =   0.009%
          HB    VAL   43 - HB2   PHE   59  13.94 +/- 2.24   1.981% *  0.1928% (0.34  1.00   0.02   0.02) =   0.004%
          QD    LYS+  81 - HB2   PHE   59  19.76 +/- 3.25   0.785% *  0.1572% (0.28  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HB2   PHE   59  18.65 +/- 3.50   0.784% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB2   PHE   59  19.01 +/- 3.30   0.710% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 58.0:
      O   HN    PHE   59 - HB3   PHE   59   2.58 +/- 0.60  96.272% * 99.4232% (0.31  10.0   4.97  58.01) =  99.989%  kept
          HN    HIS  122 - HB3   PHE   59   9.99 +/- 1.02   2.844% *  0.2794% (0.87   1.0   0.02   0.02) =   0.008%
          HH2   TRP   87 - HB3   PHE   59  18.45 +/- 3.42   0.884% *  0.2974% (0.92   1.0   0.02   0.02) =   0.003%
    Distance limit 3.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 58.0:
      O   HN    PHE   59 - HB2   PHE   59   2.50 +/- 0.55  78.203% * 93.3108% (1.00  10.0   4.35  58.01) =  98.431%  kept
          QE    PHE   59 - HB2   PHE   59   4.49 +/- 0.04  17.718% *  6.5548% (0.80   1.0   1.75  58.01) =   1.567%  kept
          HN    HIS  122 - HB2   PHE   59   9.84 +/- 0.93   1.929% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   59  10.36 +/- 1.34   1.868% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  18.87 +/- 3.32   0.281% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.4:
          HB2   ASP-  62 - HA    PHE   59   3.80 +/- 0.58  90.899% * 97.0773% (0.99  1.00   1.50   6.41) =  99.871%  kept
        T QB    ASP- 113 - HA    PHE   59  11.88 +/- 0.94   3.392% *  2.2871% (0.18 10.00   0.02   0.02) =   0.088%
          HB2   PRO   52 - HA    PHE   59  12.95 +/- 2.20   5.709% *  0.6357% (0.49  1.00   0.02   0.02) =   0.041%
    Distance limit 3.62 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 2.93, residual support = 6.35:
          HB3   ASP-  62 - HA    PHE   59   3.92 +/- 1.53  74.536% * 85.4423% (0.18  1.00   2.96   6.41) =  99.102%  kept
        T HB3   TRP   87 - HA    PHE   59  17.38 +/- 2.43   3.209% *  9.1744% (0.28 10.00   0.02   0.02) =   0.458%  kept
          HG3   GLN  116 - HA    PHE   59   7.93 +/- 2.03  17.679% *  1.1256% (0.34  1.00   0.02   0.49) =   0.310%  kept
          HG3   MET   96 - HA    PHE   59  15.34 +/- 2.59   4.070% *  1.7360% (0.53  1.00   0.02   0.02) =   0.110%  kept
          HG2   GLU-  36 - HA    PHE   59  25.24 +/- 3.86   0.507% *  2.5217% (0.76  1.00   0.02   0.02) =   0.020%
    Distance limit 3.87 A violated in 4 structures by 0.68 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.9, residual support = 58.0:
      O   HN    PHE   59 - HA    PHE   59   2.79 +/- 0.06  76.021% * 92.6152% (1.00  10.0   4.96  58.01) =  98.237%  kept
          QE    PHE   59 - HA    PHE   59   4.72 +/- 0.47  17.390% *  7.2513% (0.80   1.0   1.96  58.01) =   1.759%  kept
          HN    HIS  122 - HA    PHE   59   9.10 +/- 1.25   2.702% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.78 +/- 1.89   3.409% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  18.78 +/- 3.22   0.478% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.03, residual support = 20.1:
          HN    PHE   60 - HB3   PHE   59   3.34 +/- 0.51  79.413% * 98.7625% (0.61   4.03  20.14) =  99.945%  kept
          HN    THR  118 - HB3   PHE   59   8.07 +/- 0.85   7.544% *  0.3034% (0.38   0.02  12.50) =   0.029%
          HN    GLN  116 - HB3   PHE   59   7.03 +/- 1.63  12.719% *  0.1416% (0.18   0.02   0.49) =   0.023%
          HN    GLU-  15 - HB3   PHE   59  22.62 +/- 2.19   0.325% *  0.7925% (0.98   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.978, support = 3.89, residual support = 71.0:
          QD    PHE   60 - HA    PHE   60   2.78 +/- 0.41  72.927% * 91.3076% (1.00   3.96  72.42) =  97.336%  kept
          QE    PHE   59 - HA    PHE   60   5.83 +/- 1.97  22.631% *  7.9859% (0.25   1.38  20.14) =   2.642%  kept
          HN    LYS+  66 - HA    PHE   60   7.77 +/- 0.84   4.151% *  0.3360% (0.73   0.02   0.02) =   0.020%
          HN    LYS+  81 - HA    PHE   60  19.00 +/- 2.97   0.291% *  0.3705% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HA    PHE   60   2.76 +/- 0.10  94.062% * 99.7483% (0.61  10.0   4.92  72.42) =  99.997%  kept
          HN    THR  118 - HA    PHE   60  10.42 +/- 2.00   2.711% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60  10.21 +/- 2.15   2.920% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  19.52 +/- 2.12   0.307% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 5.0, residual support = 41.3:
      O   HN    ALA   61 - HA    PHE   60   3.61 +/- 0.04  92.961% * 99.5823% (0.84  10.0   5.00  41.31) =  99.994%  kept
          HN    ALA   91 - HA    PHE   60  15.89 +/- 2.72   1.650% *  0.1069% (0.90   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    PHE   60  18.49 +/- 2.83   0.960% *  0.1182% (0.99   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  16.11 +/- 2.57   1.547% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  16.14 +/- 2.75   1.426% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  18.46 +/- 2.91   0.923% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  21.85 +/- 3.29   0.533% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.714, support = 0.631, residual support = 1.5:
          HA    ASP-  44 - HB2   PHE   60   8.35 +/- 3.50  24.080% * 69.7872% (1.00   0.58   2.18) =  65.770%  kept
          HA    ALA   57 - HB2   PHE   60   4.19 +/- 0.99  60.815% * 13.9607% (0.15   0.75   0.21) =  33.229%  kept
          HB    THR   77 - HB2   PHE   60  13.03 +/- 4.68   4.684% *  2.3650% (0.98   0.02   0.02) =   0.434%  kept
          HA    THR   39 - HB2   PHE   60  18.31 +/- 3.09   2.954% *  1.1744% (0.49   0.02   0.02) =   0.136%  kept
          HA    ILE  103 - HB2   PHE   60  17.14 +/- 2.74   1.186% *  2.2273% (0.92   0.02   0.02) =   0.103%  kept
          HA    GLU-  79 - HB2   PHE   60  16.43 +/- 5.08   1.919% *  1.3660% (0.57   0.02   0.02) =   0.103%  kept
          HA1   GLY   51 - HB2   PHE   60  13.70 +/- 1.41   1.916% *  0.9056% (0.38   0.02   0.02) =   0.068%
          HA    SER   85 - HB2   PHE   60  19.54 +/- 3.70   0.709% *  2.3650% (0.98   0.02   0.02) =   0.066%
          HA    MET   11 - HB2   PHE   60  28.34 +/- 3.93   0.313% *  2.4128% (1.00   0.02   0.02) =   0.030%
          HA    ASP-  86 - HB2   PHE   60  20.96 +/- 3.64   0.555% *  1.1744% (0.49   0.02   0.02) =   0.025%
          HA    GLU-  14 - HB2   PHE   60  21.71 +/- 2.38   0.539% *  0.9919% (0.41   0.02   0.02) =   0.021%
          HA    ALA   12 - HB2   PHE   60  26.11 +/- 3.03   0.331% *  1.2694% (0.53   0.02   0.02) =   0.016%
    Distance limit 3.94 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.4:
      O   QD    PHE   60 - HB2   PHE   60   2.47 +/- 0.17  94.259% * 99.7759% (0.76  10.0   3.76  72.42) =  99.998%  kept
          QD    PHE   55 - HB2   PHE   60   9.41 +/- 1.45   2.955% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   60   9.57 +/- 0.82   1.782% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  18.75 +/- 4.32   0.367% *  0.1294% (0.99   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   PHE   60  15.17 +/- 3.10   0.637% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.85, residual support = 41.3:
          HN    ALA   61 - HB2   PHE   60   3.04 +/- 0.46  91.606% * 95.7051% (0.38   4.86  41.31) =  99.949%  kept
          HD1   TRP   87 - HB2   PHE   60  16.18 +/- 3.89   1.773% *  0.9416% (0.90   0.02   0.02) =   0.019%
          HN    ALA   91 - HB2   PHE   60  15.78 +/- 3.96   2.059% *  0.4707% (0.45   0.02   0.02) =   0.011%
          HN    THR   39 - HB2   PHE   60  19.46 +/- 3.01   0.610% *  0.9692% (0.92   0.02   0.02) =   0.007%
          HN    TRP   27 - HB2   PHE   60  18.56 +/- 3.28   0.565% *  0.8407% (0.80   0.02   0.02) =   0.005%
          HE3   TRP   87 - HB2   PHE   60  16.34 +/- 3.52   2.591% *  0.1620% (0.15   0.02   0.02) =   0.005%
          HN    GLU-  36 - HB2   PHE   60  22.60 +/- 3.18   0.324% *  0.5524% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   PHE   60  20.92 +/- 2.90   0.472% *  0.3582% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 72.4:
      O   HN    PHE   60 - HB2   PHE   60   2.38 +/- 0.49  96.355% * 99.7483% (0.61  10.0   4.78  72.42) =  99.998%  kept
          HN    THR  118 - HB2   PHE   60  11.48 +/- 1.78   1.545% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   PHE   60  10.84 +/- 2.15   1.868% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  20.31 +/- 2.44   0.232% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 3.07, residual support = 11.5:
        T QD1   LEU   63 - HA    PHE   60   3.03 +/- 1.19  54.496% * 91.1693% (1.00 10.00   3.11  11.54) =  97.018%  kept
          QD2   LEU   63 - HA    PHE   60   4.63 +/- 1.00  22.910% *  5.2359% (0.57  1.00   2.03  11.54) =   2.342%  kept
          QD2   LEU  115 - HA    PHE   60   6.39 +/- 1.50  12.163% *  2.0780% (0.84  1.00   0.55   0.02) =   0.494%  kept
        T QD1   LEU   73 - HA    PHE   60  11.89 +/- 2.24   7.235% *  0.9117% (1.00 10.00   0.02   0.40) =   0.129%  kept
        T QD1   LEU  104 - HA    PHE   60  12.87 +/- 2.93   1.528% *  0.5162% (0.57 10.00   0.02   0.02) =   0.015%
          QD2   LEU   80 - HA    PHE   60  15.47 +/- 3.41   0.869% *  0.0730% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  15.19 +/- 3.05   0.799% *  0.0160% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 11.5:
        T HB2   LEU   63 - HA    PHE   60   3.01 +/- 0.71  59.027% * 98.8172% (0.92 10.00   1.50  11.54) =  99.919%  kept
          HB3   ASP-  44 - HA    PHE   60   6.59 +/- 3.14  26.074% *  0.1399% (0.98  1.00   0.02   2.18) =   0.062%
          HB3   PRO   93 - HA    PHE   60   9.73 +/- 3.01   3.739% *  0.1238% (0.87  1.00   0.02   0.02) =   0.008%
          HB3   LEU   73 - HA    PHE   60  12.74 +/- 2.62   4.928% *  0.0220% (0.15  1.00   0.02   0.40) =   0.002%
          QB    ALA  124 - HA    PHE   60  14.73 +/- 1.16   0.694% *  0.1424% (1.00  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    PHE   60  14.00 +/- 2.12   0.768% *  0.1280% (0.90  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.40 +/- 3.17   0.572% *  0.1377% (0.97  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    PHE   60  17.36 +/- 3.64   0.534% *  0.1192% (0.84  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    PHE   60  11.66 +/- 2.00   1.487% *  0.0318% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    PHE   60  19.05 +/- 2.66   0.383% *  0.0980% (0.69  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    PHE   60  16.67 +/- 2.14   0.416% *  0.0866% (0.61  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.56 +/- 3.21   0.602% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  18.78 +/- 3.07   0.308% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.07 +/- 3.22   0.293% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  22.28 +/- 3.39   0.175% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.443, support = 0.862, residual support = 1.66:
        T QG2   VAL   18 - HA    ALA   61   6.70 +/- 3.72  33.118% * 40.1219% (0.34 10.00   0.92   2.07) =  72.604%  kept
        T QG1   VAL   41 - HA    ALA   61  12.04 +/- 1.96   6.502% * 48.7984% (0.76 10.00   0.50   0.02) =  17.336%  kept
          QD1   ILE   56 - HA    ALA   61   8.54 +/- 1.63  17.714% *  9.1713% (0.61  1.00   1.18   1.71) =   8.877%  kept
          QD2   LEU   73 - HA    ALA   61   8.70 +/- 1.04  12.783% *  1.4538% (0.87  1.00   0.13   0.02) =   1.015%  kept
          QG2   THR   46 - HA    ALA   61   8.54 +/- 3.20  18.921% *  0.0637% (0.25  1.00   0.02   0.02) =   0.066%
          QG1   VAL   43 - HA    ALA   61  10.28 +/- 1.71   8.218% *  0.1445% (0.57  1.00   0.02   0.02) =   0.065%
          HG    LEU   31 - HA    ALA   61  15.48 +/- 2.33   2.745% *  0.2464% (0.97  1.00   0.02   0.02) =   0.037%
    Distance limit 2.98 A violated in 14 structures by 2.28 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.29, residual support = 6.14:
        T QB    ALA   64 - HA    ALA   61   3.54 +/- 0.51  67.014% * 98.7496% (0.34 10.00   2.30   6.17) =  99.572%  kept
        T QG1   VAL   75 - HA    ALA   61   7.85 +/- 2.64  24.949% *  1.0865% (0.38 10.00   0.02   0.02) =   0.408%  kept
          QD1   LEU  115 - HA    ALA   61   8.76 +/- 1.38   8.037% *  0.1639% (0.57  1.00   0.02   0.02) =   0.020%
    Distance limit 3.37 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.17:
          HN    ALA   64 - HA    ALA   61   3.73 +/- 0.37 100.000% *100.0000% (0.84   0.75   6.17) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.75, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.78 +/- 0.06  95.901% * 98.9218% (0.38  10.0   2.75  17.89) =  99.993%  kept
          HN    THR   39 - HA    ALA   61  17.25 +/- 2.39   0.601% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ALA   61  16.20 +/- 2.41   0.625% *  0.2111% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  17.65 +/- 2.81   1.111% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ALA   61  16.71 +/- 1.93   0.530% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  20.11 +/- 2.86   0.366% *  0.1387% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    ALA   61  20.10 +/- 3.00   0.341% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  16.81 +/- 1.83   0.525% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.72, support = 3.71, residual support = 71.0:
      O   QD    PHE   60 - HB3   PHE   60   2.49 +/- 0.19  68.589% * 87.7387% (0.73  10.0   3.75  72.42) =  97.256%  kept
          QE    PHE   59 - HB3   PHE   60   6.53 +/- 2.51  21.326% *  5.2309% (0.65   1.0   1.34  20.14) =   1.803%  kept
          HN    PHE   59 - HB3   PHE   60   5.15 +/- 0.58   8.454% *  6.8646% (0.28   1.0   4.09  20.14) =   0.938%  kept
          HN    LYS+  66 - HB3   PHE   60   9.41 +/- 0.82   1.390% *  0.1206% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  18.66 +/- 4.11   0.241% *  0.0453% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HB3   PHE   60   2.60 +/- 0.48  99.720% * 99.5797% (0.20  10.0   4.92  72.42) =  99.999%  kept
          HN    GLU-  15 - HB3   PHE   60  20.36 +/- 2.34   0.280% *  0.4203% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  16.20 +/- 3.75  33.511% * 23.9067% (0.95   0.02   0.02) =  39.829%  kept
          HN    THR   39 - HB3   PHE   60  19.61 +/- 3.18  19.332% * 23.3294% (0.92   0.02   0.02) =  22.422%  kept
          HN    LYS+ 102 - HB3   PHE   60  21.08 +/- 3.02  15.706% * 20.2366% (0.80   0.02   0.02) =  15.801%  kept
          HN    GLU-  36 - HB3   PHE   60  22.86 +/- 3.33  11.146% * 23.9067% (0.95   0.02   0.02) =  13.247%  kept
          HN    TRP   27 - HB3   PHE   60  18.87 +/- 3.00  20.304% *  8.6206% (0.34   0.02   0.02) =   8.702%  kept
    Distance limit 3.68 A violated in 20 structures by 9.91 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.33, support = 2.3, residual support = 5.51:
          HA    LYS+  81 - QB    ALA   84   2.34 +/- 0.20  95.630% * 58.7181% (0.33  1.00   2.31   5.52) =  99.732%  kept
        T HA    ASN   28 - QB    ALA   84  15.97 +/- 4.89   0.584% * 13.7769% (0.89 10.00   0.02   0.02) =   0.143%  kept
        T HA    ALA   34 - QB    ALA   84  19.94 +/- 3.15   0.189% * 11.4056% (0.74 10.00   0.02   0.02) =   0.038%
          HA    LEU  115 - QB    ALA   84  14.33 +/- 2.77   1.438% *  1.3385% (0.87  1.00   0.02   0.02) =   0.034%
        T HA    ALA  124 - QB    ALA   84  24.38 +/- 3.01   0.121% * 11.4056% (0.74 10.00   0.02   0.02) =   0.025%
          HA    ARG+  54 - QB    ALA   84  15.40 +/- 2.48   0.498% *  1.2946% (0.84  1.00   0.02   0.02) =   0.011%
          HA1   GLY  101 - QB    ALA   84  18.70 +/- 4.44   0.553% *  0.8449% (0.55  1.00   0.02   0.02) =   0.008%
          HA    GLU- 114 - QB    ALA   84  16.45 +/- 3.18   0.552% *  0.6136% (0.40  1.00   0.02   0.02) =   0.006%
          HA    THR   26 - QB    ALA   84  17.53 +/- 4.09   0.338% *  0.2303% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   84  24.46 +/- 3.23   0.097% *  0.3721% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 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 = 0.272, support = 1.72, residual support = 13.3:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.05  48.573% * 15.3492% (0.15  1.00   2.33  20.66) =  64.486%  kept
        T HA    ASP-  44 - QB    ALA   84   9.88 +/- 1.48   3.364% * 60.5810% (0.19 10.00   0.72   0.02) =  17.627%  kept
          HA    ASP-  86 - QB    ALA   84   6.53 +/- 0.07   9.471% * 20.4486% (0.84  1.00   0.55   0.02) =  16.752%  kept
          HA    TRP   87 - QB    ALA   84   6.84 +/- 0.26   8.425% *  0.9722% (0.27  1.00   0.08   0.02) =   0.709%  kept
          HB    THR   77 - QB    ALA   84   5.41 +/- 1.85  28.586% *  0.1318% (0.15  1.00   0.02   0.02) =   0.326%  kept
          HA    LEU  104 - QB    ALA   84  17.27 +/- 3.22   1.014% *  0.8245% (0.93  1.00   0.02   0.02) =   0.072%
          HA    GLU-  14 - QB    ALA   84  23.71 +/- 2.50   0.219% *  0.7887% (0.89  1.00   0.02   0.02) =   0.015%
          HA    ALA   12 - QB    ALA   84  26.50 +/- 3.46   0.174% *  0.7136% (0.81  1.00   0.02   0.02) =   0.011%
          HA    MET   11 - QB    ALA   84  27.60 +/- 4.26   0.173% *  0.1902% (0.21  1.00   0.02   0.02) =   0.003%
    Distance limit 3.31 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.16, residual support = 17.8:
      O   HN    ALA   84 - QB    ALA   84   2.02 +/- 0.07  95.573% * 98.8488% (0.30  10.0   4.16  17.78) =  99.990%  kept
          HZ2   TRP   87 - QB    ALA   84   7.98 +/- 1.00   1.875% *  0.2326% (0.70   1.0   0.02   0.02) =   0.005%
          HD21  ASN   28 - QB    ALA   84  14.56 +/- 5.42   0.675% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - QB    ALA   84  15.08 +/- 2.62   0.495% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    ALA   84  15.06 +/- 1.67   0.315% *  0.2564% (0.77   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QB    ALA   84  14.74 +/- 2.80   0.444% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.53 +/- 3.12   0.623% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.764, support = 3.93, residual support = 20.3:
          HN    SER   85 - QB    ALA   84   2.69 +/- 0.13  82.943% * 90.4660% (0.77   3.98  20.66) =  98.251%  kept
          HN    LEU   80 - QB    ALA   84   4.99 +/- 0.67  15.404% *  8.6456% (0.30   0.99   0.02) =   1.744%  kept
          HN    GLN   32 - QB    ALA   84  18.74 +/- 4.47   0.407% *  0.5676% (0.97   0.02   0.02) =   0.003%
          HN    CYS   53 - QB    ALA   84  13.14 +/- 2.12   0.945% *  0.0876% (0.15   0.02   0.02) =   0.001%
          HN    ALA   34 - QB    ALA   84  19.40 +/- 3.57   0.301% *  0.2333% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.31 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 = 0.927, support = 1.05, residual support = 27.4:
          HN    LEU  123 - QB    ALA  120   3.81 +/- 0.09  81.572% * 87.1324% (0.94   1.07  28.25) =  97.150%  kept
          HN    ALA  124 - QB    ALA  120   6.34 +/- 0.17  17.796% * 11.6746% (0.57   0.23   0.02) =   2.840%  kept
          HE21  GLN   17 - QB    ALA  120  20.48 +/- 3.40   0.632% *  1.1931% (0.69   0.02   0.02) =   0.010%
    Distance limit 2.83 A violated in 0 structures by 0.95 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 1.99, residual support = 5.23:
        T HA    SER  117 - QB    ALA  120   3.30 +/- 0.51  93.031% * 99.1044% (0.54 10.00   1.99   5.23) =  99.989%  kept
        T HB    THR   26 - QB    ALA  120  22.90 +/- 4.25   1.040% *  0.3920% (0.21 10.00   0.02   0.02) =   0.004%
          HA    ALA   57 - QB    ALA  120  12.75 +/- 1.20   1.963% *  0.1665% (0.89  1.00   0.02   0.02) =   0.004%
          HA1   GLY   51 - QB    ALA  120  18.63 +/- 3.03   0.808% *  0.1209% (0.65  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QB    ALA  120  17.79 +/- 3.67   0.906% *  0.0997% (0.54  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  15.33 +/- 3.53   1.734% *  0.0308% (0.17  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  22.07 +/- 3.50   0.517% *  0.0857% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 3.99, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.09 +/- 0.07  94.476% * 99.3531% (0.97  10.0   4.00  17.89) =  99.996%  kept
          HN    ALA   91 - QB    ALA   61  14.81 +/- 2.48   1.047% *  0.1020% (0.99   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - QB    ALA  110  10.72 +/- 2.46   1.063% *  0.0755% (0.73   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA  110  14.95 +/- 3.74   0.997% *  0.0553% (0.54   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA   61  14.16 +/- 2.03   0.407% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  14.53 +/- 2.23   0.381% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  14.72 +/- 2.16   0.372% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.61 +/- 2.34   0.353% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  14.34 +/- 1.94   0.379% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  23.07 +/- 3.52   0.113% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  15.20 +/- 2.60   0.342% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.91 +/- 2.73   0.070% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 9.58:
      O   HN    ALA  110 - QB    ALA  110   2.57 +/- 0.35  89.453% * 99.6796% (0.87  10.0   2.12   9.58) =  99.995%  kept
          HN    PHE   45 - QB    ALA   61   8.81 +/- 1.81   3.193% *  0.0550% (0.48   1.0   0.02   0.02) =   0.002%
          HN    PHE   45 - QB    ALA  110  12.21 +/- 2.27   1.560% *  0.0743% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA   61   8.39 +/- 1.75   3.684% *  0.0236% (0.21   1.0   0.02   0.22) =   0.001%
          HN    ALA  110 - QB    ALA   61  15.49 +/- 1.96   0.611% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  14.99 +/- 2.24   0.688% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  16.13 +/- 2.78   0.662% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  24.48 +/- 3.87   0.148% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.993, support = 2.77, residual support = 8.13:
          HN    ASP-  62 - QB    ALA   61   2.75 +/- 0.25  83.261% * 85.0308% (1.00   2.79   8.19) =  99.275%  kept
          HN    PHE   55 - QB    ALA  110  12.10 +/- 4.16   5.831% *  5.0492% (0.33   0.50   0.22) =   0.413%  kept
          HN    PHE   55 - QB    ALA   61  10.16 +/- 1.24   2.615% *  7.0662% (0.45   0.52   0.02) =   0.259%  kept
          HN    ARG+  54 - QB    ALA   61  10.09 +/- 1.59   3.172% *  0.5302% (0.87   0.02   0.02) =   0.024%
          HN    ARG+  54 - QB    ALA  110  12.92 +/- 3.77   2.885% *  0.3924% (0.64   0.02   0.02) =   0.016%
          HN    LEU   31 - QB    ALA   61  14.51 +/- 1.76   0.795% *  0.5992% (0.98   0.02   0.02) =   0.007%
          HN    ASP-  62 - QB    ALA  110  14.91 +/- 1.87   0.606% *  0.4513% (0.74   0.02   0.02) =   0.004%
          HN    LYS+  38 - QB    ALA   61  17.18 +/- 2.53   0.535% *  0.2513% (0.41   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA  110  23.14 +/- 3.07   0.176% *  0.4434% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA  110  25.50 +/- 2.76   0.122% *  0.1860% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.788, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.36 +/- 4.47  28.472% * 28.1529% (1.00   0.02   0.02) =  38.661%  kept
          HA    GLU-  14 - HB2   ASP-  62  20.43 +/- 2.13  22.415% * 21.5631% (0.76   0.02   0.02) =  23.313%  kept
          HA    TRP   87 - HB2   ASP-  62  19.88 +/- 3.65  21.975% * 12.6499% (0.45   0.02   0.02) =  13.408%  kept
          HA    ASP-  86 - HB2   ASP-  62  23.03 +/- 3.48  13.336% * 19.3814% (0.69   0.02   0.02) =  12.467%  kept
          HA    ALA   12 - HB2   ASP-  62  25.05 +/- 3.16  13.803% * 18.2527% (0.65   0.02   0.02) =  12.152%  kept
    Distance limit 3.52 A violated in 20 structures by 11.20 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.717, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  22.87 +/- 3.20  14.129% * 70.6236% (0.67 10.00   0.02   0.02) =  60.517%  kept
          HA    LEU  104 - HB3   ASP-  62  18.46 +/- 4.34  27.748% * 10.2586% (0.98  1.00   0.02   0.02) =  17.264%  kept
          HA    GLU-  14 - HB3   ASP-  62  20.39 +/- 2.09  22.025% *  7.8573% (0.75  1.00   0.02   0.02) =  10.496%  kept
          HA    TRP   87 - HB3   ASP-  62  19.77 +/- 3.29  22.915% *  4.6095% (0.44  1.00   0.02   0.02) =   6.406%  kept
          HA    ALA   12 - HB3   ASP-  62  25.07 +/- 3.05  13.182% *  6.6511% (0.63  1.00   0.02   0.02) =   5.317%  kept
    Distance limit 3.24 A violated in 19 structures by 11.54 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.09, residual support = 4.1:
          HN    LYS+  65 - HA    ASP-  62   3.80 +/- 0.48 100.000% *100.0000% (0.15   1.09   4.10) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.76 +/- 0.06  96.639% * 99.7294% (1.00  10.0   3.83  41.00) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  13.56 +/- 2.55   1.493% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.41 +/- 1.86   1.100% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  17.91 +/- 2.37   0.475% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  20.22 +/- 2.03   0.294% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 5.23, residual support = 42.3:
          HN    LEU   63 - HB2   ASP-  62   3.63 +/- 0.43  86.854% * 97.3293% (0.97   5.24  42.40) =  99.830%  kept
          HN    ILE   56 - HB2   ASP-  62   9.73 +/- 1.63   7.608% *  1.7462% (0.90   0.10   0.02) =   0.157%  kept
          HD21  ASN   28 - HB2   ASP-  62  21.25 +/- 3.75   1.324% *  0.2645% (0.69   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HB2   ASP-  62  18.65 +/- 3.41   1.636% *  0.1874% (0.49   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HB2   ASP-  62  16.15 +/- 2.17   1.274% *  0.2026% (0.53   0.02   0.02) =   0.003%
          HN    ALA   84 - HB2   ASP-  62  19.71 +/- 3.35   0.854% *  0.2026% (0.53   0.02   0.02) =   0.002%
          HE21  GLN   32 - HB2   ASP-  62  25.59 +/- 3.76   0.450% *  0.0674% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.59 +/- 0.45  97.473% * 99.6462% (0.69  10.0   3.83  41.00) =  99.997%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.32 +/- 2.63   1.818% *  0.1400% (0.97   1.0   0.02   0.02) =   0.003%
          HN    LEU   31 - HB2   ASP-  62  19.54 +/- 2.32   0.443% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  21.60 +/- 2.19   0.267% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HN    LEU   63 - HB3   ASP-  62   3.21 +/- 0.50  90.371% * 98.7122% (0.95   5.24  42.40) =  99.969%  kept
          HN    ILE   56 - HB3   ASP-  62   9.63 +/- 1.87   5.504% *  0.3502% (0.88   0.02   0.02) =   0.022%
          HZ2   TRP   87 - HB3   ASP-  62  18.59 +/- 3.17   1.373% *  0.1901% (0.48   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB3   ASP-  62  16.22 +/- 2.04   1.188% *  0.2055% (0.52   0.02   0.02) =   0.003%
          HN    ALA   84 - HB3   ASP-  62  19.48 +/- 3.07   0.766% *  0.2055% (0.52   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB3   ASP-  62  21.31 +/- 3.51   0.496% *  0.2682% (0.67   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  25.70 +/- 3.75   0.301% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.74 +/- 0.54  90.989% * 99.7294% (0.98  10.0   3.83  41.00) =  99.993%  kept
          HN    ARG+  54 - HB3   ASP-  62  12.04 +/- 3.00   5.589% *  0.0867% (0.85   1.0   0.02   0.02) =   0.005%
          HN    PHE   55 - HB3   ASP-  62  11.66 +/- 2.27   2.852% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  19.56 +/- 2.31   0.313% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  21.57 +/- 2.12   0.257% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.858, support = 2.65, residual support = 5.27:
          QB    LYS+  66 - HA    LEU   63   3.71 +/- 0.80  58.030% * 51.7828% (1.00   2.24   6.31) =  67.332%  kept
          QB    LYS+  65 - HA    LEU   63   4.87 +/- 0.80  31.699% * 45.8905% (0.57   3.50   3.15) =  32.595%  kept
          HG    LEU  123 - HA    LEU   63  12.61 +/- 3.59   3.349% *  0.2622% (0.57   0.02   0.02) =   0.020%
          HB    VAL   41 - HA    LEU   63  13.38 +/- 2.73   1.565% *  0.4381% (0.95   0.02   0.02) =   0.015%
          HG2   PRO   93 - HA    LEU   63  14.39 +/- 2.55   1.237% *  0.4154% (0.90   0.02   0.02) =   0.012%
          HB2   LEU   71 - HA    LEU   63  12.52 +/- 1.33   1.664% *  0.2437% (0.53   0.02   0.02) =   0.009%
          HG12  ILE  103 - HA    LEU   63  16.85 +/- 3.35   0.876% *  0.3869% (0.84   0.02   0.02) =   0.008%
          HB3   PRO   52 - HA    LEU   63  16.23 +/- 3.34   0.974% *  0.2622% (0.57   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HA    LEU   63  18.75 +/- 3.47   0.605% *  0.3182% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.29 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.602, support = 1.9, residual support = 7.19:
          HN    LYS+  66 - HA    LEU   63   3.71 +/- 0.45  64.172% * 51.5332% (0.53   2.15   6.31) =  79.382%  kept
          QD    PHE   60 - HA    LEU   63   6.27 +/- 0.72  18.109% * 43.4658% (0.97   0.99  11.54) =  18.894%  kept
          QE    PHE   59 - HA    LEU   63   7.59 +/- 2.12  17.257% *  4.1379% (0.14   0.67   0.02) =   1.714%  kept
          HN    LYS+  81 - HA    LEU   63  20.83 +/- 2.39   0.463% *  0.8632% (0.95   0.02   0.02) =   0.010%
    Distance limit 3.69 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.0:
      O   HN    LEU   63 - HA    LEU   63   2.79 +/- 0.06  93.943% * 99.6457% (1.00  10.0   7.54 242.05) =  99.996%  kept
          HN    ILE   56 - HA    LEU   63  11.71 +/- 2.22   2.380% *  0.0990% (0.99   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HA    LEU   63  20.05 +/- 3.58   2.065% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HA    LEU   63  17.69 +/- 2.68   0.478% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  19.54 +/- 2.01   0.306% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  17.76 +/- 2.82   0.540% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  23.77 +/- 3.89   0.286% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.486, support = 1.5, residual support = 11.5:
        T HA    PHE   60 - HB2   LEU   63   3.01 +/- 0.71  73.987% * 96.4410% (0.49 10.00   1.50  11.54) =  99.752%  kept
          HA    LYS+  65 - HB2   LEU   63   7.62 +/- 0.36   6.448% *  2.1136% (0.18  1.00   0.91   3.15) =   0.191%  kept
          HA2   GLY   51 - HB2   LEU   63  15.41 +/- 3.75   6.282% *  0.2549% (0.97  1.00   0.02   0.02) =   0.022%
          QB    SER   48 - HB2   LEU   63  15.04 +/- 3.14   5.164% *  0.2019% (0.76  1.00   0.02   0.02) =   0.015%
          QB    SER  117 - HB2   LEU   63  12.68 +/- 2.09   1.568% *  0.2589% (0.98  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - HB2   LEU   63  12.45 +/- 2.44   1.734% *  0.2292% (0.87  1.00   0.02   0.02) =   0.006%
          HA    LYS+ 121 - HB2   LEU   63  13.67 +/- 2.49   1.283% *  0.2439% (0.92  1.00   0.02   0.02) =   0.004%
          HA    ALA  120 - HB2   LEU   63  12.45 +/- 2.85   1.963% *  0.1390% (0.53  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB2   LEU   63  15.26 +/- 2.93   1.233% *  0.0588% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  19.93 +/- 1.84   0.338% *  0.0588% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 7.51, residual support = 54.5:
          HN    ALA   64 - HB2   LEU   63   3.10 +/- 0.61 100.000% *100.0000% (0.57   7.51  54.47) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 2.69, residual support = 16.3:
          QE    PHE   72 - HB2   LEU   63   5.48 +/- 1.67  78.206% * 99.3597% (0.99   2.69  16.34) =  99.907%  kept
          HN    ALA   47 - HB2   LEU   63  12.17 +/- 2.29  19.240% *  0.3340% (0.45   0.02   0.02) =   0.083%
          HD22  ASN   28 - HB2   LEU   63  18.74 +/- 3.15   2.554% *  0.3063% (0.41   0.02   0.02) =   0.010%
    Distance limit 4.07 A violated in 8 structures by 1.57 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.12, residual support = 242.0:
      O   HN    LEU   63 - HB2   LEU   63   2.18 +/- 0.22  96.929% * 99.6457% (1.00  10.0   8.12 242.05) =  99.997%  kept
          HN    ILE   56 - HB2   LEU   63  10.25 +/- 1.72   1.781% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB2   LEU   63  19.51 +/- 3.29   0.408% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  16.82 +/- 2.88   0.266% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  18.52 +/- 2.05   0.182% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  16.95 +/- 2.93   0.315% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.73 +/- 3.80   0.119% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.763, support = 4.54, residual support = 42.3:
          HN    ASP-  62 - HB2   LEU   63   4.54 +/- 0.26  72.875% * 98.5520% (0.76   4.55  42.40) =  99.871%  kept
          HN    PHE   55 - HB2   LEU   63  12.08 +/- 2.57   8.451% *  0.5084% (0.90   0.02   0.02) =   0.060%
          HN    ARG+  54 - HB2   LEU   63  12.26 +/- 3.21  15.092% *  0.2331% (0.41   0.02   0.02) =   0.049%
          HN    LEU   31 - HB2   LEU   63  17.44 +/- 3.05   2.555% *  0.4735% (0.84   0.02   0.02) =   0.017%
          HN    ALA   88 - HB2   LEU   63  19.55 +/- 1.89   1.027% *  0.2331% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.26 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.71, residual support = 54.5:
          HN    ALA   64 - HB3   LEU   63   3.64 +/- 0.64 100.000% *100.0000% (0.57   6.71  54.47) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.3, residual support = 16.3:
        T HZ    PHE   72 - HB3   LEU   63   5.29 +/- 2.23  90.637% * 99.9822% (0.87 10.00   3.30  16.34) =  99.998%  kept
          HZ2   TRP   27 - HB3   LEU   63  15.87 +/- 3.66   9.363% *  0.0178% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 4.01 A violated in 9 structures by 1.71 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 242.0:
      O   HN    LEU   63 - HB3   LEU   63   3.28 +/- 0.34  91.433% * 99.6457% (1.00  10.0   7.61 242.05) =  99.994%  kept
          HN    ILE   56 - HB3   LEU   63  11.41 +/- 2.09   3.261% *  0.0990% (0.99   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB3   LEU   63  19.64 +/- 3.58   1.929% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB3   LEU   63  17.26 +/- 3.35   0.943% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB3   LEU   63  17.15 +/- 3.31   1.428% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  19.01 +/- 2.08   0.556% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.48 +/- 4.04   0.450% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.763, support = 7.59, residual support = 241.4:
          HN    LEU   63 - HG    LEU   63   3.32 +/- 0.56  67.709% * 98.3165% (0.76   7.61 242.05) =  99.730%  kept
          QE    PHE   60 - HG    LEU   63   6.19 +/- 1.82  22.536% *  0.7065% (0.20   0.21  11.54) =   0.239%  kept
          HN    ILE   56 - HG    LEU   63  11.20 +/- 2.04   6.466% *  0.2187% (0.65   0.02   0.02) =   0.021%
          HD21  ASN   28 - HG    LEU   63  19.40 +/- 3.68   0.896% *  0.3120% (0.92   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HG    LEU   63  17.27 +/- 3.27   1.051% *  0.2583% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HG    LEU   63  17.43 +/- 3.24   0.795% *  0.0940% (0.28   0.02   0.02) =   0.001%
          HN    ALA   84 - HG    LEU   63  19.22 +/- 2.22   0.548% *  0.0940% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.152, support = 3.03, residual support = 11.2:
        T HA    PHE   60 - QD1   LEU   63   3.03 +/- 1.19  38.169% * 72.4309% (0.14 10.00   3.11  11.54) =  97.219%  kept
          HA    ALA  120 - QD1   LEU   63  10.44 +/- 3.06   3.971% *  7.5752% (0.95  1.00   0.30   0.02) =   1.058%  kept
          HB    THR   94 - QD1   LEU   63  10.39 +/- 3.34   2.125% *  9.7708% (0.97  1.00   0.38   0.02) =   0.730%  kept
          HA    LYS+  65 - QD1   LEU   63   7.84 +/- 0.53   3.867% *  2.0382% (0.57  1.00   0.13   3.15) =   0.277%  kept
        T HA    PHE   60 - QD1   LEU   73  11.89 +/- 2.24   6.641% *  0.7243% (0.14 10.00   0.02   0.40) =   0.169%  kept
          QB    SER   48 - QD1   LEU   63  13.01 +/- 2.68   7.201% *  0.5340% (1.00  1.00   0.02   0.02) =   0.135%  kept
          HA2   GLY   51 - QD1   LEU   63  13.27 +/- 3.16   2.900% *  0.4642% (0.87  1.00   0.02   0.02) =   0.047%
          HA    LYS+ 121 - QD1   LEU   63  11.09 +/- 2.98   2.513% *  0.4940% (0.92  1.00   0.02   0.02) =   0.044%
          HB    THR   94 - QD1   LEU   73  11.60 +/- 2.50   2.175% *  0.5165% (0.97  1.00   0.02   0.02) =   0.040%
          HA2   GLY   51 - QD1   LEU   73  18.36 +/- 3.44   2.378% *  0.4642% (0.87  1.00   0.02   0.02) =   0.039%
          QB    SER  117 - QD1   LEU   73  16.31 +/- 3.49   2.747% *  0.3246% (0.61  1.00   0.02   0.02) =   0.031%
          QB    SER  117 - QD1   LEU   63  10.48 +/- 2.81   2.576% *  0.3246% (0.61  1.00   0.02   0.02) =   0.029%
          HA    LYS+  65 - QD1   LEU   73   9.99 +/- 1.15   2.653% *  0.3030% (0.57  1.00   0.02   0.02) =   0.028%
          QB    SER   48 - QD1   LEU   73  13.56 +/- 2.41   1.489% *  0.5340% (1.00  1.00   0.02   0.02) =   0.028%
          HA    LYS+ 121 - QD1   LEU  104  11.49 +/- 5.99   6.164% *  0.1209% (0.23  1.00   0.02   0.02) =   0.026%
          HA2   GLY   16 - QD1   LEU   63  12.62 +/- 1.82   1.394% *  0.3462% (0.65  1.00   0.02   0.02) =   0.017%
          HA    LYS+ 121 - QD1   LEU   73  17.93 +/- 3.45   0.793% *  0.4940% (0.92  1.00   0.02   0.02) =   0.014%
          HA    ALA  120 - QD1   LEU   73  18.27 +/- 2.80   0.752% *  0.5063% (0.95  1.00   0.02   0.02) =   0.013%
          HA2   GLY   16 - QD1   LEU   73  12.69 +/- 3.16   1.073% *  0.3462% (0.65  1.00   0.02   0.02) =   0.013%
          QB    SER   85 - QD1   LEU   73  13.88 +/- 2.54   0.729% *  0.3462% (0.65  1.00   0.02   0.02) =   0.009%
        T HA    PHE   60 - QD1   LEU  104  12.87 +/- 2.93   1.052% *  0.1773% (0.03 10.00   0.02   0.02) =   0.007%
          HA    ALA  120 - QD1   LEU  104  13.69 +/- 4.93   1.307% *  0.1239% (0.23  1.00   0.02   0.02) =   0.006%
          QB    SER  117 - QD1   LEU  104  12.18 +/- 2.50   1.407% *  0.0795% (0.15  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QD1   LEU   63  16.81 +/- 2.32   0.313% *  0.3462% (0.65  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - QD1   LEU  104  13.11 +/- 1.28   0.852% *  0.1264% (0.24  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QD1   LEU  104  17.03 +/- 2.96   0.759% *  0.0847% (0.16  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU  104  14.10 +/- 3.43   0.811% *  0.0742% (0.14  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  104  15.20 +/- 4.42   0.696% *  0.0847% (0.16  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD1   LEU  104  18.96 +/- 2.47   0.306% *  0.1307% (0.24  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  22.05 +/- 2.90   0.186% *  0.1136% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.47, support = 3.56, residual support = 24.1:
        T HZ3   TRP   27 - QD1   LEU   73   4.06 +/- 2.30  48.478% * 90.2197% (0.49 10.00   3.70  25.20) =  95.306%  kept
        T HZ3   TRP   27 - QD1   LEU  104  10.13 +/- 4.06  23.536% *  8.5760% (0.12 10.00   0.78   0.73) =   4.398%  kept
        T HZ3   TRP   27 - QD1   LEU   63  10.93 +/- 3.37  12.969% *  0.9022% (0.49 10.00   0.02   0.02) =   0.255%  kept
          HZ    PHE   45 - QD1   LEU   63  11.21 +/- 3.25   6.900% *  0.1346% (0.73  1.00   0.02   0.02) =   0.020%
          HZ    PHE   45 - QD1   LEU   73   9.37 +/- 2.59   6.479% *  0.1346% (0.73  1.00   0.02   0.02) =   0.019%
          HZ    PHE   45 - QD1   LEU  104  12.36 +/- 2.47   1.639% *  0.0329% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.836, support = 1.69, residual support = 9.26:
          QD    PHE   60 - QD1   LEU   63   3.41 +/- 1.44  36.705% * 38.2447% (0.87   1.94  11.54) =  75.098%  kept
          HN    LYS+  66 - QD1   LEU   63   5.93 +/- 0.60   6.444% * 25.9090% (0.95   1.21   6.31) =   8.932%  kept
          QE    PHE   59 - QD1   LEU   63   5.83 +/- 3.00  28.426% *  5.7154% (0.49   0.52   0.02) =   8.692%  kept
          QD    PHE   60 - QD1   LEU   73   9.86 +/- 2.58   5.177% * 22.9874% (0.87   1.17   0.40) =   6.366%  kept
          HN    PHE   59 - QD1   LEU   63   6.57 +/- 1.10   4.560% *  2.4858% (0.18   0.63   0.02) =   0.606%  kept
          HN    LYS+  66 - QD1   LEU   73  11.71 +/- 1.01   0.771% *  3.5470% (0.95   0.17   0.02) =   0.146%  kept
          QE    PHE   59 - QD1   LEU   73  12.47 +/- 2.86   9.626% *  0.2208% (0.49   0.02   0.02) =   0.114%  kept
          HN    LYS+  66 - QD1   LEU  104  13.65 +/- 3.91   3.106% *  0.1050% (0.23   0.02   0.02) =   0.017%
          HN    LYS+  81 - QD1   LEU   73  13.24 +/- 3.68   0.832% *  0.2386% (0.53   0.02   0.02) =   0.011%
          QE    PHE   59 - QD1   LEU  104  10.77 +/- 2.54   1.703% *  0.0540% (0.12   0.02   0.02) =   0.005%
          QD    PHE   60 - QD1   LEU  104  11.89 +/- 2.45   0.918% *  0.0963% (0.21   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD1   LEU   63  17.03 +/- 2.43   0.272% *  0.2386% (0.53   0.02   0.02) =   0.003%
          HN    PHE   59 - QD1   LEU   73  14.61 +/- 2.32   0.670% *  0.0794% (0.18   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD1   LEU  104  20.09 +/- 2.97   0.288% *  0.0584% (0.13   0.02   0.02) =   0.001%
          HN    PHE   59 - QD1   LEU  104  14.94 +/- 3.34   0.503% *  0.0194% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.10 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 = 0.739, support = 6.39, residual support = 212.5:
          HN    LEU   63 - QD1   LEU   63   3.70 +/- 0.40  28.620% * 71.0784% (0.76   7.07 242.05) =  87.498%  kept
          HD21  ASN   28 - QD1   LEU   73   6.44 +/- 2.12   7.241% * 20.3364% (0.92   1.67   1.21) =   6.334%  kept
          QE    PHE   60 - QD1   LEU   63   4.38 +/- 1.91  27.894% *  4.4617% (0.20   1.71  11.54) =   5.353%  kept
          HD21  ASN   28 - QD1   LEU  104  14.49 +/- 4.72   5.770% *  1.5937% (0.23   0.54   0.16) =   0.396%  kept
          QE    PHE   60 - QD1   LEU   73   9.50 +/- 3.09   7.647% *  0.8621% (0.20   0.33   0.40) =   0.284%  kept
          HN    ILE   56 - QD1   LEU   63   8.92 +/- 1.80   4.086% *  0.1702% (0.65   0.02   0.02) =   0.030%
          HZ2   TRP   87 - QD1   LEU   73   9.48 +/- 3.12   2.963% *  0.2011% (0.76   0.02   0.02) =   0.026%
          HN    ILE   56 - QD1   LEU   73  16.42 +/- 3.32   3.274% *  0.1702% (0.65   0.02   0.02) =   0.024%
          HD21  ASN   28 - QD1   LEU   63  16.21 +/- 3.44   1.574% *  0.2429% (0.92   0.02   0.02) =   0.016%
          HN    LEU   63 - QD1   LEU   73  11.79 +/- 1.28   1.217% *  0.2011% (0.76   0.02   0.02) =   0.011%
          HZ2   TRP   87 - QD1   LEU   63  14.17 +/- 3.38   1.180% *  0.2011% (0.76   0.02   0.02) =   0.010%
          HN    ALA   84 - QD1   LEU   73  12.27 +/- 3.02   1.354% *  0.0731% (0.28   0.02   0.02) =   0.004%
          HN    LEU   63 - QD1   LEU  104  12.82 +/- 3.54   1.877% *  0.0492% (0.19   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD1   LEU   63  14.06 +/- 3.65   1.259% *  0.0731% (0.28   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD1   LEU  104  13.84 +/- 3.12   0.879% *  0.0492% (0.19   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   63  15.74 +/- 2.64   0.552% *  0.0731% (0.28   0.02   0.02) =   0.002%
          HN    LYS+ 111 - QD1   LEU   73  19.36 +/- 3.35   0.468% *  0.0731% (0.28   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU  104  12.34 +/- 2.76   1.051% *  0.0127% (0.05   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  17.94 +/- 2.82   0.289% *  0.0417% (0.16   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU  104  16.74 +/- 2.06   0.411% *  0.0179% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  17.54 +/- 2.61   0.394% *  0.0179% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - HA    ALA   64   2.78 +/- 0.08 100.000% *100.0000% (0.97  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.58 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 = 0.704, support = 3.22, residual support = 46.1:
        T HZ    PHE   72 - HA    ALA   64   3.03 +/- 0.61  63.491% * 39.4733% (0.57 10.00   2.90  46.06) =  54.149%  kept
        T QD    PHE   72 - HA    ALA   64   3.86 +/- 0.48  35.088% * 60.4788% (0.87 10.00   3.61  46.06) =  45.850%  kept
          QE    PHE   45 - HA    ALA   64  11.22 +/- 1.07   1.421% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.19, residual support = 3.91:
          HN    LEU   67 - HA    ALA   64   3.30 +/- 0.57  85.777% * 87.2466% (0.87   1.20   3.94) =  99.279%  kept
          QE    PHE   95 - HA    ALA   64  10.02 +/- 2.16   6.084% *  7.5569% (0.98   0.09   0.25) =   0.610%  kept
          HE3   TRP   27 - HA    ALA   64  11.74 +/- 1.83   3.173% *  0.9473% (0.57   0.02   0.02) =   0.040%
          HN    THR   23 - HA    ALA   64  15.11 +/- 1.49   1.437% *  1.6584% (0.99   0.02   0.02) =   0.032%
          QD    PHE   55 - HA    ALA   64  15.49 +/- 2.02   1.164% *  1.0824% (0.65   0.02   0.02) =   0.017%
          HD2   HIS   22 - HA    ALA   64  15.20 +/- 1.56   1.388% *  0.6280% (0.38   0.02   0.02) =   0.012%
          HD1   TRP   49 - HA    ALA   64  18.91 +/- 3.68   0.977% *  0.8803% (0.53   0.02   0.02) =   0.011%
    Distance limit 4.11 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.705, support = 2.62, residual support = 7.14:
          QG2   VAL   18 - QB    ALA   64   3.95 +/- 2.77  39.520% * 45.2855% (0.84   2.09   9.04) =  69.867%  kept
          QD2   LEU   73 - QB    ALA   64   5.16 +/- 0.49  16.029% * 42.1578% (0.38   4.33   3.12) =  26.380%  kept
          QD1   ILE   19 - QB    ALA   64   7.24 +/- 1.45   7.830% *  7.5088% (0.38   0.77   0.02) =   2.295%  kept
          QG1   VAL   43 - QB    ALA   64   6.97 +/- 1.21   8.865% *  2.0770% (0.98   0.08   0.02) =   0.719%  kept
          QG1   VAL   41 - QB    ALA   64   7.61 +/- 1.37   6.521% *  2.1002% (0.99   0.08   0.02) =   0.535%  kept
          QG2   THR   46 - QB    ALA   64   7.41 +/- 2.16   9.643% *  0.3771% (0.73   0.02   0.02) =   0.142%  kept
          HG    LEU   31 - QB    ALA   64  10.36 +/- 1.69   2.353% *  0.2732% (0.53   0.02   0.02) =   0.025%
          QD1   ILE   56 - QB    ALA   64   8.87 +/- 1.74   6.062% *  0.0909% (0.18   0.02   0.02) =   0.022%
          QD2   LEU  104 - QB    ALA   64  10.45 +/- 2.00   3.177% *  0.1295% (0.25   0.02   0.02) =   0.016%
    Distance limit 2.97 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.879, support = 1.75, residual support = 5.13:
          HB3   LEU   67 - QB    ALA   64   4.60 +/- 1.02  23.697% * 15.5494% (0.99   1.27   3.94) =  28.459%  kept
          QB    ALA   61 - QB    ALA   64   4.34 +/- 0.52  23.382% * 13.6834% (0.92   1.20   6.17) =  24.710%  kept
          HG    LEU   73 - QB    ALA   64   6.91 +/- 0.86   8.360% * 27.5873% (0.87   2.57   3.12) =  17.812%  kept
          QG    LYS+  66 - QB    ALA   64   6.23 +/- 0.75   8.251% * 27.8838% (0.98   2.30   8.95) =  17.770%  kept
          HG    LEU   67 - QB    ALA   64   5.51 +/- 0.84  13.382% *  8.2867% (0.28   2.41   3.94) =   8.565%  kept
          HG12  ILE   19 - QB    ALA   64   7.73 +/- 1.82   5.353% *  6.1660% (0.65   0.77   0.02) =   2.549%  kept
          HG    LEU   40 - QB    ALA   64   7.36 +/- 1.49   9.889% *  0.0928% (0.38   0.02   0.02) =   0.071%
          HG    LEU   80 - QB    ALA   64  13.96 +/- 3.45   1.535% *  0.1891% (0.76   0.02   0.02) =   0.022%
          HB3   LEU  115 - QB    ALA   64  11.16 +/- 1.94   2.054% *  0.0928% (0.38   0.02   0.02) =   0.015%
          QB    ALA  110 - QB    ALA   64  14.41 +/- 1.76   0.681% *  0.1796% (0.73   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - QB    ALA   64  16.78 +/- 1.96   0.438% *  0.1891% (0.76   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - QB    ALA   64  11.51 +/- 2.72   1.865% *  0.0382% (0.15   0.02   0.02) =   0.005%
          HB2   LEU   80 - QB    ALA   64  13.30 +/- 2.41   1.114% *  0.0617% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.89 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 = 0.907, support = 2.19, residual support = 5.38:
          HB3   LEU   67 - HA    ALA   64   3.44 +/- 1.49  38.953% * 28.0235% (0.99   2.07   3.94) =  54.879%  kept
          QG    LYS+  66 - HA    ALA   64   6.09 +/- 1.11  16.593% * 34.1559% (0.98   2.55   8.95) =  28.493%  kept
          HG    LEU   67 - HA    ALA   64   4.62 +/- 1.21  21.784% *  9.4008% (0.28   2.48   3.94) =  10.295%  kept
          HG    LEU   73 - HA    ALA   64   9.99 +/- 1.05   3.678% * 19.8206% (0.87   1.67   3.12) =   3.665%  kept
          QB    ALA   61 - HA    ALA   64   6.57 +/- 0.48   7.501% *  6.5684% (0.92   0.52   6.17) =   2.477%  kept
          HG12  ILE   19 - HA    ALA   64  10.12 +/- 1.93   2.576% *  1.0994% (0.65   0.12   0.02) =   0.142%  kept
          HG    LEU   40 - HA    ALA   64   8.62 +/- 1.63   5.085% *  0.1025% (0.38   0.02   0.02) =   0.026%
          HB3   LEU  115 - HA    ALA   64  14.05 +/- 2.25   1.265% *  0.1025% (0.38   0.02   0.02) =   0.007%
          HG    LEU   80 - HA    ALA   64  18.24 +/- 3.80   0.510% *  0.2088% (0.76   0.02   0.02) =   0.005%
          QB    ALA  110 - HA    ALA   64  17.91 +/- 1.99   0.404% *  0.1984% (0.73   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HA    ALA   64  20.62 +/- 2.95   0.228% *  0.2088% (0.76   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  13.55 +/- 3.30   0.969% *  0.0422% (0.15   0.02   0.02) =   0.002%
          HB2   LEU   80 - HA    ALA   64  17.50 +/- 2.60   0.455% *  0.0681% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.58, residual support = 46.0:
        T HB3   PHE   72 - QB    ALA   64   3.97 +/- 0.88  43.584% * 99.3598% (0.76 10.00   3.58  46.06) =  99.868%  kept
          HB2   ASP-  44 - QB    ALA   64   4.62 +/- 1.98  38.009% *  0.1128% (0.87  1.00   0.02   0.02) =   0.099%
          QG    GLU-  15 - QB    ALA   64  10.28 +/- 1.98   4.169% *  0.1230% (0.95  1.00   0.02   0.02) =   0.012%
          QG    GLU-  14 - QB    ALA   64  11.51 +/- 2.00   3.378% *  0.1086% (0.84  1.00   0.02   0.02) =   0.008%
          HG12  ILE  119 - QB    ALA   64   9.21 +/- 1.53   5.615% *  0.0443% (0.34  1.00   0.02   0.02) =   0.006%
          QG    GLN   90 - QB    ALA   64  14.38 +/- 1.77   1.541% *  0.0893% (0.69  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - QB    ALA   64  16.31 +/- 2.60   1.121% *  0.1166% (0.90  1.00   0.02   0.02) =   0.003%
          HG3   GLU-  36 - QB    ALA   64  15.25 +/- 2.96   1.547% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QB    ALA   64  14.65 +/- 2.04   1.035% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.3, residual support = 6.15:
        T HA    ALA   61 - QB    ALA   64   3.54 +/- 0.51  60.897% * 99.2851% (1.00 10.00   2.30   6.17) =  99.810%  kept
          HD2   PRO   68 - QB    ALA   64   6.77 +/- 1.40  17.584% *  0.6219% (0.92  1.00   0.14   0.02) =   0.181%  kept
          HA    VAL   75 - QB    ALA   64   6.73 +/- 1.22  16.345% *  0.0248% (0.25  1.00   0.02   0.02) =   0.007%
          HD3   PRO   58 - QB    ALA   64  10.35 +/- 1.23   2.843% *  0.0484% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.91 +/- 1.66   2.331% *  0.0197% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 2.88, residual support = 8.98:
          HA    VAL   18 - QB    ALA   64   5.26 +/- 3.22  41.186% * 95.3603% (0.90   2.90   9.04) =  99.386%  kept
          HA    VAL   70 - QB    ALA   64   5.97 +/- 1.02  25.695% *  0.3016% (0.41   0.02   0.02) =   0.196%  kept
          HA    LYS+  33 - QB    ALA   64  13.52 +/- 2.68   9.176% *  0.5327% (0.73   0.02   0.02) =   0.124%  kept
          HA    SER   48 - QB    ALA   64  13.00 +/- 2.67   4.523% *  0.6940% (0.95   0.02   0.02) =   0.079%
          HA    GLN  116 - QB    ALA   64  11.21 +/- 1.78   8.270% *  0.3016% (0.41   0.02   0.02) =   0.063%
          HA    GLN   32 - QB    ALA   64  13.96 +/- 1.82   3.366% *  0.5327% (0.73   0.02   0.02) =   0.045%
          HA    GLU-  29 - QB    ALA   64  13.87 +/- 1.71   2.657% *  0.6364% (0.87   0.02   0.02) =   0.043%
          HD2   PRO   52 - QB    ALA   64  13.97 +/- 1.71   2.821% *  0.3860% (0.53   0.02   0.02) =   0.028%
          HA    ALA   88 - QB    ALA   64  16.43 +/- 1.11   1.296% *  0.5607% (0.76   0.02   0.02) =   0.018%
          HB2   SER   82 - QB    ALA   64  17.46 +/- 2.07   1.009% *  0.6940% (0.95   0.02   0.02) =   0.018%
    Distance limit 3.74 A violated in 3 structures by 0.75 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.503, support = 1.14, residual support = 0.897:
        T HA    GLN   17 - QB    ALA   64   7.21 +/- 3.43  33.855% * 93.9944% (0.49 10.00   1.19   0.93) =  96.248%  kept
        T HA    VAL   42 - QB    ALA   64   6.84 +/- 1.30  32.334% *  3.1939% (0.98 10.00   0.02   0.02) =   3.124%  kept
        T HA    PHE   55 - QB    ALA   64  13.70 +/- 2.20   7.609% *  2.2382% (0.69 10.00   0.02   0.02) =   0.515%  kept
          HA    THR   46 - QB    ALA   64   9.60 +/- 1.90  14.076% *  0.1340% (0.41  1.00   0.02   0.02) =   0.057%
          HA    SER   37 - QB    ALA   64  13.90 +/- 1.99   7.152% *  0.1586% (0.49  1.00   0.02   0.02) =   0.034%
          HA    GLN   90 - QB    ALA   64  15.22 +/- 1.57   2.875% *  0.1586% (0.49  1.00   0.02   0.02) =   0.014%
          HA    ALA  110 - QB    ALA   64  17.16 +/- 2.11   2.100% *  0.1223% (0.38  1.00   0.02   0.02) =   0.008%
    Distance limit 4.09 A violated in 10 structures by 1.42 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 9.03:
          HN    VAL   18 - QB    ALA   64   6.06 +/- 3.43  69.846% * 99.5970% (1.00   2.25   9.04) =  99.920%  kept
          HN    GLU-  29 - QB    ALA   64  13.10 +/- 1.49  20.788% *  0.1557% (0.18   0.02   0.02) =   0.046%
          HN    SER   13 - QB    ALA   64  15.07 +/- 1.84   9.366% *  0.2472% (0.28   0.02   0.02) =   0.033%
    Distance limit 3.91 A violated in 10 structures by 2.39 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.817, support = 5.67, residual support = 46.1:
        T QD    PHE   72 - QB    ALA   64   2.71 +/- 0.36  45.779% * 85.0528% (0.87 10.00   5.73  46.06) =  83.233%  kept
          HZ    PHE   72 - QB    ALA   64   2.62 +/- 0.72  52.705% * 14.8798% (0.57  1.00   5.36  46.06) =  16.764%  kept
          QE    PHE   45 - QB    ALA   64   8.27 +/- 0.95   1.516% *  0.0674% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.49 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 = 20.7:
      O   HN    ALA   64 - QB    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.14 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 = 6.18, residual support = 156.5:
      O   HN    LYS+  65 - HA    LYS+  65   2.79 +/- 0.07  99.388% * 99.9887% (0.71  10.0   6.18 156.54) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.88 +/- 1.78   0.612% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.741, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  12.05 +/- 3.93  30.204% * 34.8898% (0.87   0.02   0.02) =  64.854%  kept
          HN    SER  117 - HA    LYS+  65  17.55 +/- 1.59   8.154% * 28.1870% (0.71   0.02   0.02) =  14.145%  kept
          HN    SER   82 - HA    LYS+  65  20.83 +/- 3.28   5.992% * 26.7825% (0.67   0.02   0.02) =   9.877%  kept
          HN    SER  117 - HA    LYS+ 121   9.03 +/- 0.82  47.773% *  3.1809% (0.08   0.02   0.02) =   9.352%  kept
          HN    GLY   16 - HA    LYS+ 121  21.84 +/- 5.42   5.453% *  3.9373% (0.10   0.02   0.02) =   1.321%  kept
          HN    SER   82 - HA    LYS+ 121  27.91 +/- 3.69   2.423% *  3.0224% (0.08   0.02   0.02) =   0.451%  kept
    Distance limit 3.48 A violated in 20 structures by 4.86 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.87, residual support = 29.2:
          HN    LYS+  65 - QB    ALA   64   2.84 +/- 0.22 100.000% *100.0000% (0.31   4.87  29.19) = 100.000%  kept
    Distance limit 3.36 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 = 4.04, residual support = 46.1:
          QE    PHE   72 - HA    ALA   64   2.52 +/- 0.40  99.432% * 99.3407% (0.65   4.04  46.06) =  99.996%  kept
          HD22  ASN   28 - HA    ALA   64  16.17 +/- 2.02   0.568% *  0.6593% (0.87   0.02   0.02) =   0.004%
    Distance limit 3.52 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 = 1.92, residual support = 4.1:
          HA    ASP-  62 - QB    LYS+  65   3.06 +/- 1.04  94.483% * 97.9732% (0.80   1.92   4.10) =  99.971%  kept
          HB    THR   26 - QB    LYS+  65  15.53 +/- 1.53   1.448% *  0.7217% (0.57   0.02   0.02) =   0.011%
          HA    SER   82 - QB    LYS+  65  19.97 +/- 3.34   1.128% *  0.8246% (0.65   0.02   0.02) =   0.010%
          HA    SER  117 - QB    LYS+  65  15.12 +/- 1.73   1.680% *  0.2838% (0.22   0.02   0.02) =   0.005%
          HA    GLU-  25 - QB    LYS+  65  18.60 +/- 2.25   1.261% *  0.1967% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.7, residual support = 156.5:
      O   HN    LYS+  65 - QB    LYS+  65   2.16 +/- 0.12 100.000% *100.0000% (0.76  10.0   6.70 156.54) = 100.000%  kept
    Distance limit 2.89 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 = 0.53, support = 6.02, residual support = 30.1:
          HN    LYS+  66 - QB    LYS+  65   3.06 +/- 0.34  83.741% * 92.7386% (0.53   6.08  30.36) =  98.995%  kept
          QD    PHE   60 - QB    LYS+  65   6.96 +/- 1.25  11.776% *  6.6345% (0.97   0.24   0.02) =   0.996%  kept
          HN    LYS+  81 - QB    LYS+  65  17.39 +/- 3.11   0.781% *  0.5484% (0.95   0.02   0.02) =   0.005%
          QE    PHE   59 - QB    LYS+  65   9.13 +/- 0.77   3.703% *  0.0785% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.08 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.23, residual support = 156.5:
          HN    LYS+  65 - HG2   LYS+  65   3.62 +/- 0.52 100.000% *100.0000% (0.31   5.23 156.54) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.835, support = 5.23, residual support = 139.9:
      O T HA    LYS+  65 - HG3   LYS+  65   2.93 +/- 0.56  59.035% * 57.2471% (0.87  10.0 10.00   5.37 156.54) =  88.216%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.90 +/- 0.83  11.476% * 39.1477% (0.59   1.0 10.00   4.22  14.99) =  11.727%  kept
        T HA    LYS+  65 - HG3   LYS+  33  15.58 +/- 3.52   1.114% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.014%
        T HA    GLN   32 - HG3   LYS+ 102  17.37 +/- 6.67   0.886% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   PRO   52 - HG3   LYS+ 106  19.61 +/- 3.35   0.810% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - HG3   LYS+  65  20.31 +/- 3.67   0.343% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HG3   LYS+  33  11.85 +/- 3.05   2.144% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HG3   LYS+  65  16.39 +/- 4.01   1.626% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 106  18.22 +/- 2.34   0.380% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 102  23.40 +/- 3.03   0.195% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - HG3   LYS+  65  14.80 +/- 5.39   3.087% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  65  14.01 +/- 4.38   1.128% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.96 +/- 3.96   0.294% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   48 - HG3   LYS+  65  14.70 +/- 4.87   3.306% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 106  14.56 +/- 4.86   1.026% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  18.08 +/- 1.90   0.321% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  13.64 +/- 3.91   1.467% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+  65  14.43 +/- 4.47   2.199% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 102  20.44 +/- 6.76   0.347% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+  65  20.13 +/- 4.01   0.354% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  16.55 +/- 2.98   0.608% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.98 +/- 5.26   0.369% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.32 +/- 3.88   0.187% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.53 +/- 3.57   0.632% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  21.46 +/- 4.54   0.311% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.99 +/- 5.11   0.373% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.71 +/- 1.67   2.205% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  23.63 +/- 4.53   0.188% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.18 +/- 5.27   0.167% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  16.44 +/- 3.87   0.546% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  20.32 +/- 2.66   0.466% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.95 +/- 3.51   0.106% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.33 +/- 3.22   0.127% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  23.26 +/- 5.34   0.189% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  24.40 +/- 3.42   0.157% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.57 +/- 2.93   0.081% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  18.77 +/- 2.49   0.545% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  23.35 +/- 3.49   0.154% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.94 +/- 3.90   0.130% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.66 +/- 1.68   0.303% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  25.42 +/- 3.84   0.190% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.04 +/- 2.90   0.104% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.53 +/- 2.39   0.191% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.20 +/- 2.82   0.134% *  0.0142% (0.22   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 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 2.8, residual support = 22.9:
          HN    ASP- 105 - HG3   LYS+ 106   4.42 +/- 0.48  76.100% * 75.9959% (0.34   2.87  23.52) =  97.403%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.76 +/- 0.87   8.010% * 18.1348% (0.65   0.35   0.02) =   2.446%  kept
          HN    ALA   88 - HG3   LYS+ 106  13.33 +/- 3.93   4.973% *  0.3745% (0.24   0.02   0.02) =   0.031%
          HN    ASP- 105 - HG3   LYS+  65  18.16 +/- 2.63   1.424% *  1.2622% (0.80   0.02   0.02) =   0.030%
          HN    ASP- 105 - HG3   LYS+  33  18.50 +/- 3.18   1.348% *  1.0900% (0.69   0.02   0.02) =   0.025%
          HN    ALA   88 - HG3   LYS+ 102  19.15 +/- 5.42   1.658% *  0.7263% (0.46   0.02   0.02) =   0.020%
          HN    ALA   88 - HG3   LYS+  65  20.50 +/- 4.33   1.334% *  0.8924% (0.57   0.02   0.02) =   0.020%
          HN    PHE   55 - HG3   LYS+  65  15.49 +/- 2.71   2.577% *  0.2432% (0.15   0.02   0.02) =   0.011%
          HN    ALA   88 - HG3   LYS+  33  23.91 +/- 3.89   0.685% *  0.7707% (0.49   0.02   0.02) =   0.009%
          HN    PHE   55 - HG3   LYS+ 106  19.71 +/- 2.78   1.189% *  0.1021% (0.06   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+  33  28.13 +/- 3.72   0.386% *  0.2100% (0.13   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+ 102  29.07 +/- 2.84   0.315% *  0.1979% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.15, residual support = 117.4:
      O   HN    LYS+  66 - HA    LYS+  66   2.91 +/- 0.03  95.584% * 99.6126% (0.53  10.0   5.15 117.40) =  99.994%  kept
          QD    PHE   60 - HA    LYS+  66  10.20 +/- 0.77   2.385% *  0.1827% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+  81 - HA    LYS+  66  22.55 +/- 3.66   0.277% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    LYS+  66  12.20 +/- 1.99   1.754% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.08, residual support = 117.4:
      O   HN    LYS+  66 - QB    LYS+  66   2.40 +/- 0.25  93.849% * 99.6126% (0.53  10.0   5.08 117.40) =  99.993%  kept
          QD    PHE   60 - QB    LYS+  66   8.13 +/- 0.73   2.651% *  0.1827% (0.97   1.0   0.02   0.02) =   0.005%
          QE    PHE   59 - QB    LYS+  66   9.62 +/- 2.42   3.262% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - QB    LYS+  66  20.28 +/- 2.70   0.238% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.518, support = 4.9, residual support = 115.7:
          HN    LYS+  66 - QG    LYS+  66   3.08 +/- 0.66  65.264% * 93.2307% (0.53   4.92 117.40) =  98.371%  kept
          HN    LYS+  66 - HG    LEU   67   5.56 +/- 0.99  18.785% *  5.1833% (0.04   3.56  14.13) =   1.574%  kept
          QD    PHE   60 - QG    LYS+  66   8.46 +/- 1.03   3.667% *  0.6945% (0.97   0.02   0.02) =   0.041%
          QE    PHE   59 - QG    LYS+  66   9.85 +/- 2.10   3.352% *  0.0974% (0.14   0.02   0.02) =   0.005%
          HN    LYS+  81 - QG    LYS+  66  20.42 +/- 3.23   0.362% *  0.6807% (0.95   0.02   0.02) =   0.004%
          QD    PHE   60 - HG    LEU   67   9.13 +/- 1.74   3.791% *  0.0535% (0.07   0.02   0.02) =   0.003%
          QE    PHE   59 - HG    LEU   67  11.42 +/- 3.58   4.536% *  0.0075% (0.01   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG    LEU   67  22.01 +/- 2.25   0.243% *  0.0524% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.13, residual support = 117.3:
          HN    LYS+  66 - QD    LYS+  66   4.14 +/- 0.57  58.117% * 98.2784% (0.53   5.13 117.40) =  99.896%  kept
          QD    PHE   60 - QD    LYS+  66   9.51 +/- 1.05   5.494% *  0.7022% (0.97   0.02   0.02) =   0.067%
          QE    PHE   59 - QD    LYS+  66  10.86 +/- 2.32   6.249% *  0.0985% (0.14   0.02   0.02) =   0.011%
          QD    PHE   60 - HD2   LYS+ 121  11.50 +/- 2.64   6.376% *  0.0873% (0.12   0.02   0.02) =   0.010%
          HN    LYS+  81 - QD    LYS+  66  20.86 +/- 3.58   0.792% *  0.6883% (0.95   0.02   0.02) =   0.010%
          QE    PHE   59 - HD2   LYS+ 121   6.58 +/- 1.05  20.191% *  0.0122% (0.02   0.02   0.02) =   0.004%
          HN    LYS+  66 - HD2   LYS+ 121  13.77 +/- 2.50   2.340% *  0.0476% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HD2   LYS+ 121  25.02 +/- 3.70   0.441% *  0.0856% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.68, residual support = 60.3:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  70.948% * 41.2781% (0.47  10.0 10.00   3.18  60.58) =  72.320%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.62 +/- 0.31  23.710% * 46.3345% (0.53  10.0  1.00   5.03  60.58) =  27.129%  kept
          QG    LYS+  66 - HB2   LEU   67   6.31 +/- 0.91   1.968% * 10.9184% (0.61   1.0  1.00   4.10  14.13) =   0.531%  kept
        T HG    LEU   40 - HB2   LEU   67   8.47 +/- 2.30   1.299% *  0.5330% (0.61   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   LEU  115 - HB2   LEU   67  15.88 +/- 2.66   0.137% *  0.5330% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  115 - HB2   LEU   67  15.08 +/- 2.20   0.148% *  0.1774% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   LEU   67   8.92 +/- 1.20   0.679% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.54 +/- 1.11   0.272% *  0.0616% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.80 +/- 2.17   0.397% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  14.16 +/- 3.90   0.240% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  20.73 +/- 3.56   0.066% *  0.0637% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  19.60 +/- 3.93   0.074% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  19.19 +/- 2.12   0.061% *  0.0177% (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 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 3.24, residual support = 60.5:
      O T QD1   LEU   67 - HB2   LEU   67   2.50 +/- 0.25  80.250% * 97.7777% (0.70  10.0 10.00   3.25  60.58) =  99.848%  kept
          QD2   LEU   71 - HB2   LEU   67   7.03 +/- 1.54   6.915% *  0.9650% (0.22   1.0  1.00   0.62   0.02) =   0.085%
        T QD2   LEU   40 - HB2   LEU   67   8.12 +/- 2.03   4.668% *  0.9931% (0.71   1.0 10.00   0.02   0.02) =   0.059%
          HG3   LYS+  74 - HB2   LEU   67  10.77 +/- 3.13   5.385% *  0.0811% (0.58   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL   75 - HB2   LEU   67   9.95 +/- 1.43   1.671% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   67  14.13 +/- 2.29   0.587% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  14.66 +/- 2.10   0.524% *  0.0226% (0.16   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 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.6:
          HA    LEU   67 - QD2   LEU   67   2.54 +/- 0.68  97.613% * 98.8214% (0.53   2.76  60.58) =  99.971%  kept
          HA    ASP-  76 - QD2   LEU   67  12.69 +/- 2.03   2.387% *  1.1786% (0.87   0.02   0.02) =   0.029%
    Distance limit 2.98 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.0, residual support = 60.5:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.01  78.541% * 96.8242% (0.73  10.0  1.00   3.01  60.58) =  99.852%  kept
        T HG    LEU   40 - QD1   LEU   67   7.19 +/- 2.29   8.493% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.090%
        T HB2   LYS+  74 - QD1   LEU   67   8.38 +/- 2.52   5.640% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.030%
        T HG    LEU  115 - QD1   LEU   67  11.59 +/- 2.44   0.986% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.017%
        T HG    LEU   73 - QD1   LEU   67   9.53 +/- 1.55   1.161% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   40 - QD1   LEU   67   8.70 +/- 1.84   2.154% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU   67  11.36 +/- 3.40   1.197% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - QD1   LEU   67  12.23 +/- 2.82   0.852% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  11.11 +/- 1.82   0.706% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  17.08 +/- 3.43   0.270% *  0.0332% (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 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.32, support = 3.22, residual support = 59.8:
      O T HB2   LEU   67 - QD1   LEU   67   2.50 +/- 0.25  76.756% * 75.9742% (0.31  10.0 10.00   3.25  60.58) =  98.144%  kept
          HG2   PRO   68 - QD1   LEU   67   6.82 +/- 0.65   4.714% * 22.9653% (0.92   1.0  1.00   2.02  21.67) =   1.822%  kept
          HB2   GLN   17 - QD1   LEU   67   8.34 +/- 2.84   9.788% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.011%
          HB    ILE   19 - QD1   LEU   67   9.10 +/- 1.78   2.598% *  0.2135% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU  115 - QD1   LEU   67  12.41 +/- 2.80   1.797% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QB    GLU- 114 - QD1   LEU   67  13.83 +/- 2.76   0.788% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - QD1   LEU   67  10.03 +/- 2.18   1.884% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   LEU   67  13.31 +/- 1.66   0.606% *  0.1787% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - QD1   LEU   67  17.23 +/- 3.33   0.794% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   LEU   67  17.52 +/- 2.04   0.275% *  0.1104% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 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 = 3.17, residual support = 60.6:
      O   QD2   LEU   67 - HG    LEU   67   2.10 +/- 0.02  79.834% * 99.2738% (0.87  10.0  1.00   3.17  60.58) =  99.959%  kept
        T QD1   LEU   40 - HG    LEU   67   7.35 +/- 2.00   4.466% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.039%
          QG2   ILE  119 - HG    LEU   67  10.92 +/- 4.27   3.492% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - QG    LYS+  66   5.27 +/- 1.00   7.704% *  0.0076% (0.07   1.0  1.00   0.02  14.13) =   0.001%
          QG2   ILE  119 - QG    LYS+  66   8.57 +/- 3.35   3.611% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.89 +/- 1.22   0.894% *  0.0053% (0.05   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.741, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  11.54 +/- 1.24  29.229% * 52.9912% (0.98   0.02   0.02) =  52.500%  kept
          QG1   VAL   83 - QD1   LEU   67  12.91 +/- 2.09  23.959% * 34.9728% (0.65   0.02   0.02) =  28.401%  kept
          QD1   LEU  104 - QD1   LEU   67   9.60 +/- 3.70  46.813% * 12.0360% (0.22   0.02   0.02) =  19.098%  kept
    Distance limit 3.18 A violated in 18 structures by 4.98 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.86, support = 3.14, residual support = 27.9:
        T HZ    PHE   72 - QD1   LEU   67   3.28 +/- 0.61  56.265% * 75.7718% (0.97 10.00   3.53  27.86) =  80.994%  kept
        T QD    PHE   72 - QD1   LEU   67   3.98 +/- 1.07  41.322% * 24.2087% (0.41 10.00   1.50  27.86) =  19.005%  kept
          QE    PHE   45 - QD1   LEU   67   9.82 +/- 1.33   2.413% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.02, residual support = 27.9:
          QE    PHE   72 - QD1   LEU   67   2.59 +/- 0.68  91.954% * 99.2576% (0.80   4.03  27.86) =  99.974%  kept
          HN    ALA   47 - QD1   LEU   67  12.66 +/- 2.29   2.206% *  0.5524% (0.90   0.02   0.02) =   0.013%
          QD    PHE   95 - QD1   LEU   67   8.65 +/- 2.17   5.840% *  0.1901% (0.31   0.02   0.02) =   0.012%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.621, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  17.32 +/- 3.21   6.387% * 57.9196% (0.73 10.00   0.02   0.02) =  53.352%  kept
        T HA    LEU  115 - HG    LEU   67  15.51 +/- 3.32   9.306% * 15.7849% (0.20 10.00   0.02   0.02) =  21.186%  kept
          HA    ALA  124 - HG    LEU   67  17.23 +/- 6.78  13.077% *  6.6623% (0.84  1.00   0.02   0.02) =  12.566%  kept
          HA    GLU-  36 - HG    LEU   67  18.32 +/- 3.54   5.108% *  7.5452% (0.95  1.00   0.02   0.02) =   5.558%  kept
          HA    LYS+  81 - HG    LEU   67  21.58 +/- 2.08   2.593% *  7.9057% (0.99  1.00   0.02   0.02) =   2.956%  kept
          HA    ASN   28 - HG    LEU   67  17.86 +/- 2.37   4.343% *  1.7758% (0.22  1.00   0.02   0.02) =   1.112%  kept
          HA    ARG+  54 - QG    LYS+  66  13.24 +/- 3.76  16.827% *  0.4459% (0.06  1.00   0.02   0.02) =   1.082%  kept
          HA    ALA  124 - QG    LYS+  66  15.24 +/- 5.28  13.996% *  0.5129% (0.06  1.00   0.02   0.02) =   1.035%  kept
          HA    LYS+  81 - QG    LYS+  66  20.00 +/- 3.31   5.918% *  0.6086% (0.08  1.00   0.02   0.02) =   0.519%  kept
          HA    GLU-  36 - QG    LYS+  66  20.58 +/- 3.44   3.361% *  0.5808% (0.07  1.00   0.02   0.02) =   0.282%  kept
          HA    LEU  115 - QG    LYS+  66  13.85 +/- 2.19  11.164% *  0.1215% (0.02  1.00   0.02   0.02) =   0.196%  kept
          HA    ASN   28 - QG    LYS+  66  19.19 +/- 3.38   7.922% *  0.1367% (0.02  1.00   0.02   0.02) =   0.156%  kept
    Distance limit 3.99 A violated in 18 structures by 4.57 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.75, residual support = 60.4:
      O   HA    LEU   67 - HG    LEU   67   3.20 +/- 0.55  71.451% * 98.0647% (0.15  10.0   3.75  60.58) =  99.568%  kept
          HA    LEU   67 - QG    LYS+  66   5.32 +/- 0.86  22.937% *  1.2747% (0.01   1.0   3.38  14.13) =   0.415%  kept
          HA    ASP-  76 - HG    LEU   67  14.40 +/- 2.24   1.596% *  0.6134% (0.97   1.0   0.02   0.02) =   0.014%
          HA    ASP-  76 - QG    LYS+  66  13.31 +/- 2.79   4.016% *  0.0472% (0.07   1.0   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.497, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  13.98 +/- 2.13   5.787% * 26.7757% (0.87   0.02   0.02) =  25.810%  kept
          QE    PHE   95 - HG    LEU   67  11.79 +/- 2.78  12.570% * 11.5851% (0.38   0.02   0.02) =  24.258%  kept
          QD    PHE   60 - HG    LEU   67   9.13 +/- 1.74  20.270% *  5.4059% (0.18   0.02   0.02) =  18.252%  kept
          QD    PHE   55 - HG    LEU   67  17.02 +/- 2.18   3.452% * 24.7171% (0.80   0.02   0.02) =  14.213%  kept
          HN    THR   23 - HG    LEU   67  17.48 +/- 2.55   3.042% * 10.5293% (0.34   0.02   0.02) =   5.335%  kept
          HN    LYS+  81 - HG    LEU   67  22.01 +/- 2.25   1.340% * 13.8391% (0.45   0.02   0.02) =   3.088%  kept
          HE3   TRP   27 - QG    LYS+  66  15.40 +/- 2.69   7.600% *  2.0612% (0.07   0.02   0.02) =   2.609%  kept
          QD    PHE   55 - QG    LYS+  66  13.55 +/- 1.89   7.598% *  1.9027% (0.06   0.02   0.02) =   2.408%  kept
          QE    PHE   95 - QG    LYS+  66  11.05 +/- 2.19  11.882% *  0.8918% (0.03   0.02   0.02) =   1.765%  kept
          QD    PHE   60 - QG    LYS+  66   8.46 +/- 1.03  21.206% *  0.4162% (0.01   0.02   0.02) =   1.470%  kept
          HN    THR   23 - QG    LYS+  66  17.35 +/- 2.94   3.322% *  0.8106% (0.03   0.02   0.02) =   0.449%  kept
          HN    LYS+  81 - QG    LYS+  66  20.42 +/- 3.23   1.932% *  1.0653% (0.03   0.02   0.02) =   0.343%  kept
    Distance limit 3.78 A violated in 19 structures by 3.03 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.296, support = 3.17, residual support = 60.3:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  95.346% * 71.6807% (0.29  10.0 10.00   3.18  60.58) =  99.251%  kept
          HG2   PRO   68 - HB3   LEU   67   6.60 +/- 0.51   1.983% * 25.5057% (0.87   1.0  1.00   2.38  21.67) =   0.734%  kept
        T HB    ILE   19 - HB3   LEU   67  11.23 +/- 1.47   0.413% *  2.0145% (0.82   1.0 10.00   0.02   0.02) =   0.012%
          HB2   GLN   17 - HB3   LEU   67   9.52 +/- 3.33   1.090% *  0.0646% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HB3   LEU   67  15.77 +/- 3.20   0.248% *  0.1595% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HB3   LEU   67  11.64 +/- 2.54   0.493% *  0.0646% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.02 +/- 2.64   0.160% *  0.1686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  17.51 +/- 2.86   0.125% *  0.1860% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  21.61 +/- 1.61   0.055% *  0.1041% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.71 +/- 3.53   0.088% *  0.0517% (0.21   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 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  13.57 +/- 1.61 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.68 A violated in 20 structures by 9.88 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.79, residual support = 60.6:
      O   HN    LEU   67 - HB3   LEU   67   2.92 +/- 0.68  93.524% * 99.4441% (0.54  10.0   4.79  60.58) =  99.993%  kept
          HD1   TRP   49 - HB3   LEU   67  20.39 +/- 4.00   1.589% *  0.1575% (0.85   1.0   0.02   0.02) =   0.003%
          HD2   HIS   22 - HB3   LEU   67  16.67 +/- 1.87   1.106% *  0.1722% (0.93   1.0   0.02   0.02) =   0.002%
          QE    PHE   95 - HB3   LEU   67  11.61 +/- 2.71   2.485% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   LEU   67  19.01 +/- 2.66   0.470% *  0.1524% (0.82   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  16.80 +/- 1.36   0.825% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 5.08, residual support = 60.6:
      O   HA    LEU   67 - HB2   LEU   67   2.72 +/- 0.23  99.000% * 99.8354% (0.38  10.0   5.08  60.58) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  13.82 +/- 1.97   1.000% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.80 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 = 3.25, residual support = 27.9:
          QE    PHE   72 - HB2   LEU   67   3.13 +/- 0.95  95.051% * 99.0809% (0.58   3.25  27.86) =  99.979%  kept
          HN    ALA   47 - HB2   LEU   67  16.30 +/- 3.26   1.871% *  0.6838% (0.65   0.02   0.02) =   0.014%
          QD    PHE   95 - HB2   LEU   67  11.55 +/- 2.13   3.078% *  0.2353% (0.22   0.02   0.02) =   0.008%
    Distance limit 3.74 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.06, residual support = 60.6:
      O   HN    LEU   67 - HB2   LEU   67   3.23 +/- 0.45  89.420% * 99.6033% (0.70  10.0   5.06  60.58) =  99.993%  kept
          QE    PHE   95 - HB2   LEU   67  11.83 +/- 2.53   3.384% *  0.0626% (0.44   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB2   LEU   67  16.55 +/- 2.10   1.412% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  20.95 +/- 4.31   1.241% *  0.0976% (0.69   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  16.50 +/- 1.74   0.890% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LEU   67  12.93 +/- 1.60   2.144% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.12 +/- 2.64   0.749% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.34 +/- 2.07   0.759% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.07, residual support = 27.9:
        T HZ    PHE   72 - HB2   LEU   67   4.43 +/- 1.06  82.352% * 99.9822% (0.63 10.00   3.07  27.86) =  99.996%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.87 +/- 3.00  17.648% *  0.0178% (0.11  1.00   0.02   0.02) =   0.004%
    Distance limit 4.02 A violated in 1 structures by 0.68 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.541, support = 4.06, residual support = 63.3:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.32  75.048% * 82.3820% (0.57  10.0 10.00   3.97  64.94) =  94.045%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.11  23.876% * 16.3856% (0.11  10.0  1.00   5.47  36.68) =   5.951%  kept
        T HA    VAL   24 - HB2   PRO   68  21.75 +/- 3.12   0.167% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  38 - HB2   PRO   68  15.47 +/- 2.72   0.547% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.46 +/- 1.90   0.199% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  22.61 +/- 3.27   0.163% *  0.0133% (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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  94.778% * 98.0584% (0.63  10.0 10.00   3.24  64.94) =  99.996%  kept
        T QG1   VAL   24 - HB2   PRO   68  20.32 +/- 2.83   0.140% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HB    VAL   24   9.61 +/- 1.59   2.337% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB2   PRO   68  15.56 +/- 3.95   0.499% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL   24  11.90 +/- 0.87   0.573% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.97 +/- 3.13   0.249% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.14 +/- 2.61   0.268% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.86 +/- 4.42   0.130% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.36 +/- 2.52   0.534% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  23.56 +/- 4.99   0.198% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.83 +/- 3.18   0.200% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  25.57 +/- 4.59   0.095% *  0.1041% (0.67   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.349, support = 5.69, residual support = 30.9:
      O   HN    ASN   69 - HB2   PRO   68   3.62 +/- 0.65  42.193% * 67.3713% (0.34  10.0   5.84  30.95) =  76.229%  kept
          HN    GLU-  25 - HB    VAL   24   3.63 +/- 0.62  41.205% * 17.5811% (0.31   1.0   5.87  34.31) =  19.426%  kept
          HN    ASN   28 - HB    VAL   24   5.67 +/- 0.37  11.055% * 14.6163% (0.66   1.0   2.27  13.88) =   4.333%  kept
          HN    ASP-  44 - HB2   PRO   68  14.50 +/- 3.29   3.390% *  0.0798% (0.41   1.0   0.02   0.02) =   0.007%
          HN    ASP-  44 - HB    VAL   24  13.98 +/- 3.54   1.159% *  0.0650% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ASN   28 - HB2   PRO   68  21.14 +/- 2.76   0.301% *  0.1582% (0.81   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  21.86 +/- 3.37   0.512% *  0.0549% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  24.04 +/- 2.75   0.186% *  0.0735% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.52 +/- 0.17  99.830% * 99.8774% (0.33  10.0   4.68  64.94) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.33 +/- 3.16   0.170% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 3.18, residual support = 36.7:
      O   HD3   PRO   68 - HG2   PRO   68   2.54 +/- 0.29  92.971% * 99.5120% (0.57  10.0   3.18  36.68) =  99.992%  kept
          HD2   ARG+  54 - HG2   PRO   68  21.83 +/- 7.27   3.648% *  0.1189% (0.69   1.0   0.02   0.02) =   0.005%
          HB3   CYS   53 - HG2   PRO   68  19.46 +/- 5.06   1.108% *  0.1168% (0.67   1.0   0.02   0.02) =   0.001%
          QB    PHE   55 - HG2   PRO   68  18.47 +/- 3.77   1.017% *  0.0910% (0.52   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   PRO   68  21.67 +/- 4.06   0.499% *  0.1033% (0.60   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   68  14.81 +/- 2.79   0.757% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 2.91, residual support = 36.7:
      O   HD2   PRO   68 - HG2   PRO   68   2.64 +/- 0.28  96.174% * 99.8205% (0.63  10.0   2.91  36.68) =  99.998%  kept
          HA    ALA   61 - HG2   PRO   68  11.99 +/- 2.18   2.488% *  0.0826% (0.52   1.0   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   PRO   68  21.99 +/- 2.92   0.252% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  16.50 +/- 2.35   0.573% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.37 +/- 2.97   0.512% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.709, support = 4.9, residual support = 63.6:
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  42.433% * 69.4060% (0.84  10.0  1.00   4.93  36.68) =  77.933%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.85 +/- 0.19  35.120% * 22.1240% (0.27  10.0 10.00   4.89 169.42) =  20.561%  kept
          QB    PHE   55 - HG2   ARG+  54   5.14 +/- 1.58  12.790% *  3.0077% (0.20   1.0  1.00   3.55   4.16) =   1.018%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.44 +/- 0.60   3.788% *  4.3272% (0.26   1.0  1.00   3.98  31.73) =   0.434%  kept
        T HD2   ARG+  54 - HG3   PRO   68  21.95 +/- 7.38   2.326% *  0.8291% (1.00   1.0 10.00   0.02   0.02) =   0.051%
          HB3   CYS   53 - HG3   PRO   68  19.65 +/- 5.02   0.540% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HG3   PRO   68  18.65 +/- 3.81   0.346% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG2   ARG+  54  19.58 +/- 5.49   0.798% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.97 +/- 2.83   0.348% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54  13.16 +/- 3.92   0.577% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.84 +/- 3.98   0.133% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.74 +/- 1.58   0.803% *  0.0108% (0.13   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.7:
      O   HD2   PRO   68 - HG3   PRO   68   2.53 +/- 0.28  89.908% * 99.5569% (0.92  10.0  1.00   4.62  36.68) =  99.996%  kept
          HA    ALA   61 - HG3   PRO   68  12.19 +/- 2.14   1.874% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HG3   PRO   68  16.37 +/- 2.43   0.431% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - HG2   ARG+  54  20.10 +/- 5.57   2.219% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG2   ARG+  54  13.39 +/- 2.87   1.368% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.57 +/- 1.28   3.317% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  22.22 +/- 2.74   0.174% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  30.01 +/- 5.85   0.161% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.52 +/- 2.92   0.415% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  24.87 +/- 3.67   0.133% *  0.0175% (0.16   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 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 36.7:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  87.570% * 98.5022% (0.98  10.0 10.00   5.29  36.68) =  99.997%  kept
        T HD3   PRO   93 - HD2   PRO   68  20.54 +/- 3.14   0.090% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   4.57 +/- 0.92   7.022% *  0.0070% (0.07   1.0  1.00   0.02  39.81) =   0.001%
          HD2   ARG+  54 - HD2   PRO   68  21.02 +/- 6.31   0.370% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  13.65 +/- 4.23   0.345% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.69 +/- 2.23   0.243% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  18.38 +/- 4.02   0.200% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.35 +/- 0.64   1.990% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  17.71 +/- 2.89   0.149% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.03 +/- 2.26   0.134% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.49 +/- 1.73   1.081% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.92 +/- 1.72   0.805% *  0.0058% (0.06   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.29, residual support = 36.7:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  98.153% * 99.4504% (0.92  10.0 10.00   5.29  36.68) =  99.999%  kept
          HA    ALA   61 - HD3   PRO   68  10.38 +/- 1.41   0.665% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   58 - HD3   PRO   68  16.03 +/- 2.26   0.150% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  20.54 +/- 3.14   0.100% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  13.65 +/- 4.23   0.387% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  20.59 +/- 2.64   0.083% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.18 +/- 2.43   0.215% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.44 +/- 2.13   0.148% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  21.14 +/- 2.73   0.066% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.83 +/- 2.45   0.032% *  0.0031% (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 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.52, residual support = 21.7:
      O   HA    LEU   67 - HD3   PRO   68   2.33 +/- 0.31  98.249% * 99.7870% (0.53  10.0   5.52  21.67) =  99.999%  kept
          HA    ASP-  76 - HD3   PRO   68  16.30 +/- 2.95   0.551% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   93  12.77 +/- 2.98   0.875% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  19.28 +/- 2.41   0.324% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 21.7:
      O   HA    LEU   67 - HD2   PRO   68   2.29 +/- 0.21  98.601% * 99.8155% (0.53  10.0   4.53  21.67) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.76 +/- 2.67   0.506% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  15.24 +/- 4.36   0.537% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.44 +/- 1.79   0.356% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 59.3:
      O   HD21  ASN   69 - HB2   ASN   69   2.89 +/- 0.57  94.712% * 99.5864% (0.65  10.0   3.62  59.26) =  99.994%  kept
          HN    GLN   17 - HB2   ASN   69  10.48 +/- 2.65   3.543% *  0.1286% (0.84   1.0   0.02   0.02) =   0.005%
          HN    ALA   61 - HB2   ASN   69  14.99 +/- 2.10   0.858% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  21.36 +/- 3.58   0.425% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  24.41 +/- 2.74   0.241% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  24.86 +/- 2.60   0.222% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.37, residual support = 59.3:
      O   HN    ASN   69 - HB2   ASN   69   3.26 +/- 0.51  97.953% * 99.9414% (0.97  10.0   5.37  59.26) =  99.999%  kept
          HN    ASN   28 - HB2   ASN   69  20.15 +/- 2.81   0.668% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB2   ASN   69  16.90 +/- 5.12   1.379% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 59.3:
      O   HD21  ASN   69 - HB3   ASN   69   2.88 +/- 0.62  94.709% * 99.7810% (0.99  10.0   3.59  59.26) =  99.995%  kept
          HN    GLN   17 - HB3   ASN   69  10.60 +/- 2.62   4.586% *  0.0987% (0.98   1.0   0.02   0.02) =   0.005%
          HN    TRP   87 - HB3   ASN   69  24.28 +/- 2.46   0.249% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  21.28 +/- 3.37   0.456% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 59.3:
      O   HN    ASN   69 - HB3   ASN   69   2.78 +/- 0.47  98.656% * 99.9414% (0.97  10.0   4.86  59.26) = 100.000%  kept
          HN    ASN   28 - HB3   ASN   69  20.29 +/- 3.07   0.446% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   ASN   69  17.33 +/- 5.38   0.898% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.05, residual support = 59.0:
          HD21  ASN   69 - HA    ASN   69   3.80 +/- 0.65  77.397% * 89.7494% (0.20   3.06  59.26) =  99.620%  kept
          HN    GLN   17 - HA    ASN   69   8.88 +/- 3.16  18.954% *  1.0114% (0.34   0.02   0.02) =   0.275%  kept
          HN    ALA   61 - HA    ASN   69  15.02 +/- 1.61   1.631% *  2.3743% (0.80   0.02   0.02) =   0.056%
          HE3   TRP   87 - HA    ASN   69  20.99 +/- 3.11   0.536% *  2.9388% (0.99   0.02   0.02) =   0.023%
          HN    ALA   91 - HA    ASN   69  24.75 +/- 2.67   0.389% *  2.1531% (0.73   0.02   0.02) =   0.012%
          HN    TRP   27 - HA    ASN   69  18.77 +/- 1.92   0.749% *  1.1128% (0.38   0.02   0.02) =   0.012%
          HN    TRP   87 - HA    ASN   69  23.97 +/- 2.30   0.344% *  0.6601% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 0 structures by 0.17 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  14.01 +/- 2.47 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.62 A violated in 20 structures by 10.39 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.4, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.67 +/- 0.58   7.862% * 37.0886% (0.42 10.00   0.02   0.02) =  46.786%  kept
        T QB    ALA   88 - HA    SER   48  14.54 +/- 2.97   5.438% * 17.4364% (0.20 10.00   0.02   0.02) =  15.213%  kept
          QG2   THR   77 - HA    SER   48   7.79 +/- 3.86  26.324% *  1.9923% (0.23  1.00   0.02   0.02) =   8.415%  kept
          HG2   LYS+  38 - HA    VAL   70  11.49 +/- 2.45   9.842% *  4.6421% (0.53  1.00   0.02   0.02) =   7.330%  kept
          QG2   THR   77 - HB2   SER   82  10.59 +/- 1.08   8.437% *  4.2379% (0.48  1.00   0.02   0.02) =   5.737%  kept
          HG2   LYS+  99 - HA    VAL   70  12.03 +/- 5.50   9.577% *  3.6274% (0.41  1.00   0.02   0.02) =   5.574%  kept
          QG2   THR   77 - HA    VAL   70  14.89 +/- 1.03   3.004% *  8.7452% (0.99  1.00   0.02   0.02) =   4.215%  kept
          QB    ALA   88 - HA    VAL   70  18.57 +/- 1.77   1.557% *  7.6536% (0.87  1.00   0.02   0.02) =   1.912%  kept
          HB2   LEU   31 - HA    VAL   70  13.49 +/- 2.43   5.989% *  1.3614% (0.15  1.00   0.02   0.02) =   1.308%  kept
          QG2   THR   23 - HB2   SER   82  15.31 +/- 6.12   7.111% *  0.9519% (0.11  1.00   0.02   0.02) =   1.086%  kept
          QG2   THR   23 - HA    VAL   70  16.48 +/- 1.69   2.478% *  1.9644% (0.22  1.00   0.02   0.02) =   0.781%  kept
          HB2   LEU   31 - HB2   SER   82  21.61 +/- 8.84   3.195% *  0.6597% (0.07  1.00   0.02   0.02) =   0.338%  kept
          HG2   LYS+  99 - HB2   SER   82  26.23 +/- 4.95   1.184% *  1.7578% (0.20  1.00   0.02   0.02) =   0.334%  kept
          HG2   LYS+  38 - HB2   SER   82  29.39 +/- 5.91   0.497% *  2.2495% (0.25  1.00   0.02   0.02) =   0.179%  kept
          HG2   LYS+ 111 - HA    VAL   70  24.32 +/- 2.82   0.627% *  1.7461% (0.20  1.00   0.02   0.02) =   0.176%  kept
          QG2   THR   23 - HA    SER   48  16.82 +/- 3.73   2.306% *  0.4475% (0.05  1.00   0.02   0.02) =   0.166%  kept
          HG2   LYS+ 111 - HB2   SER   82  24.63 +/- 5.17   1.143% *  0.8462% (0.10  1.00   0.02   0.02) =   0.155%  kept
          HG2   LYS+ 111 - HA    SER   48  19.86 +/- 3.27   1.705% *  0.3978% (0.05  1.00   0.02   0.02) =   0.109%  kept
          HG2   LYS+  99 - HA    SER   48  26.90 +/- 2.43   0.594% *  0.8264% (0.09  1.00   0.02   0.02) =   0.079%
          HG2   LYS+  38 - HA    SER   48  30.05 +/- 3.03   0.435% *  1.0576% (0.12  1.00   0.02   0.02) =   0.074%
          HB2   LEU   31 - HA    SER   48  24.25 +/- 2.77   0.696% *  0.3102% (0.04  1.00   0.02   0.02) =   0.035%
    Distance limit 3.52 A violated in 18 structures by 2.65 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.63, residual support = 33.8:
      O   HN    LEU   71 - HA    VAL   70   2.22 +/- 0.06  97.308% * 99.7573% (0.87  10.0   5.63  33.81) = 100.000%  kept
          HN    GLU- 114 - HA    VAL   70  20.90 +/- 2.83   0.151% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   SER   82  18.78 +/- 8.33   0.589% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.92 +/- 1.74   0.220% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  24.94 +/- 4.60   0.205% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  24.48 +/- 3.23   0.087% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.25 +/- 2.94   0.258% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  24.64 +/- 4.75   0.469% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  21.28 +/- 2.98   0.151% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  19.66 +/- 2.66   0.184% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  21.58 +/- 3.38   0.136% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  18.48 +/- 2.71   0.244% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 0.865, support = 3.32, residual support = 44.1:
        T HZ    PHE   72 - HB    VAL   70   4.79 +/- 0.98  17.475% * 88.8041% (1.00 10.00   3.30  45.40) =  81.218%  kept
          QD    PHE   72 - HB    VAL   70   3.00 +/- 0.78  55.373% *  5.4579% (0.31  1.00   3.97  45.40) =  15.817%  kept
        T HZ    PHE   72 - QG    GLN   17   8.77 +/- 2.91   9.737% *  5.5610% (0.19 10.00   0.67   0.02) =   2.834%  kept
          QD    PHE   72 - QG    GLN   17   7.50 +/- 2.54  15.713% *  0.1585% (0.06  1.00   0.62   0.02) =   0.130%  kept
          QE    PHE   45 - HB    VAL   70  12.27 +/- 1.43   0.918% *  0.0156% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  14.80 +/- 3.17   0.784% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.721, support = 4.42, residual support = 45.0:
          QE    PHE   72 - HB    VAL   70   2.66 +/- 1.04  71.836% * 96.5961% (0.73   4.45  45.40) =  99.123%  kept
          QE    PHE   72 - QG    GLN   17   7.49 +/- 2.63  24.595% *  2.4671% (0.13   0.61   0.02) =   0.867%  kept
          QD    PHE   95 - HB    VAL   70  10.80 +/- 2.21   1.949% *  0.2244% (0.38   0.02   0.02) =   0.006%
          HN    ALA   47 - HB    VAL   70  16.81 +/- 2.26   0.400% *  0.5656% (0.95   0.02   0.02) =   0.003%
          HN    ALA   47 - QG    GLN   17  18.45 +/- 4.12   0.460% *  0.1051% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  15.11 +/- 2.94   0.759% *  0.0417% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 79.6:
      O   HN    VAL   70 - HB    VAL   70   2.75 +/- 0.36  90.385% * 99.9336% (0.76  10.0   4.31  79.58) =  99.998%  kept
          HN    VAL   70 - QG    GLN   17   8.23 +/- 2.51   8.762% *  0.0186% (0.14   1.0   0.02   0.02) =   0.002%
          HN    GLU-  79 - HB    VAL   70  17.99 +/- 1.04   0.347% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.06 +/- 3.64   0.507% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.79, residual support = 79.6:
          HN    VAL   70 - QG1   VAL   70   2.30 +/- 0.46  98.423% * 98.2648% (0.28   4.79  79.58) =  99.988%  kept
          HN    THR   94 - QG1   VAL   70  12.17 +/- 1.34   1.131% *  0.5538% (0.38   0.02   0.02) =   0.006%
          HN    GLU-  79 - QG1   VAL   70  15.95 +/- 0.84   0.447% *  1.1815% (0.80   0.02   0.02) =   0.005%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 1.36, residual support = 0.516:
          HN    VAL   42 - QG2   VAL   70   4.19 +/- 1.41  54.152% * 29.5666% (0.35   1.22   0.53) =  49.383%  kept
          HN    LEU   73 - QG2   VAL   70   6.06 +/- 0.73  24.183% * 45.7294% (0.35   1.89   0.67) =  34.109%  kept
          HN    ILE   19 - QG2   VAL   70   6.94 +/- 1.34  21.665% * 24.7039% (0.52   0.69   0.14) =  16.508%  kept
    Distance limit 3.85 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.488, support = 5.86, residual support = 34.1:
        T HG    LEU   40 - QG2   VAL   70   3.16 +/- 1.01  35.566% * 47.3646% (0.54 10.00   6.37  35.94) =  82.733%  kept
        T HB3   LEU   40 - QG2   VAL   70   4.69 +/- 0.66  12.647% * 19.5155% (0.22 10.00   3.99  35.94) =  12.121%  kept
        T HG    LEU   73 - QG2   VAL   70   7.97 +/- 0.96   2.804% * 30.7086% (0.35 10.00   2.43   0.67) =   4.229%  kept
          HG    LEU   67 - QG2   VAL   70   5.25 +/- 1.20  10.623% *  1.3207% (0.53  1.00   0.56   0.28) =   0.689%  kept
          HB3   LEU   67 - QG2   VAL   70   5.04 +/- 1.63  16.992% *  0.2132% (0.15  1.00   0.32   0.28) =   0.178%  kept
        T HB3   LEU  115 - QG2   VAL   70  12.53 +/- 2.11   0.955% *  0.4736% (0.54 10.00   0.02   0.02) =   0.022%
        T HG    LEU  115 - QG2   VAL   70  11.89 +/- 1.59   1.037% *  0.3071% (0.35 10.00   0.02   0.02) =   0.016%
          QB    ALA   61 - QG2   VAL   70   7.48 +/- 2.22  14.668% *  0.0083% (0.09  1.00   0.02   0.02) =   0.006%
          QG    LYS+  66 - QG2   VAL   70   8.04 +/- 0.97   3.030% *  0.0213% (0.24  1.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QG2   VAL   70  11.40 +/- 2.70   1.296% *  0.0307% (0.35  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QG2   VAL   70  14.32 +/- 2.88   0.383% *  0.0363% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.419, support = 3.9, residual support = 45.4:
        T QD    PHE   72 - QG2   VAL   70   2.15 +/- 0.68  82.960% * 55.2900% (0.43 10.00   3.79  45.40) =  87.298%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.51 +/- 0.42  14.939% * 44.6681% (0.35 10.00   4.62  45.40) =  12.700%  kept
          QE    PHE   45 - QG2   VAL   70   9.58 +/- 1.29   2.101% *  0.0419% (0.33  1.00   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.32, residual support = 45.4:
          QE    PHE   72 - QG2   VAL   70   2.96 +/- 0.54  95.915% * 99.6753% (0.54   5.32  45.40) =  99.993%  kept
          HD22  ASN   28 - QG2   VAL   70  12.28 +/- 1.86   2.625% *  0.1277% (0.18   0.02   0.02) =   0.004%
          HN    ALA   47 - QG2   VAL   70  14.06 +/- 1.62   1.461% *  0.1970% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.80 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 = 6.37, residual support = 33.8:
          HN    LEU   71 - QG2   VAL   70   2.89 +/- 0.41  93.004% * 99.3778% (0.51   6.37  33.81) =  99.992%  kept
          HN    GLU- 114 - QG2   VAL   70  15.72 +/- 2.03   0.768% *  0.3122% (0.51   0.02   0.02) =   0.003%
          HN    GLN  116 - QG2   VAL   70  13.58 +/- 2.16   1.176% *  0.1736% (0.28   0.02   0.02) =   0.002%
          HN    THR  118 - QG2   VAL   70  12.09 +/- 2.62   1.971% *  0.0918% (0.15   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   VAL   70   9.69 +/- 1.74   3.082% *  0.0447% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.24 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 = 0.689, support = 2.9, residual support = 45.4:
        T HZ    PHE   72 - QG1   VAL   70   4.86 +/- 0.98  33.907% * 82.9249% (0.65 10.00   2.75  45.40) =  72.559%  kept
          QD    PHE   72 - QG1   VAL   70   3.77 +/- 0.69  62.545% * 16.9973% (0.80  1.00   3.31  45.40) =  27.434%  kept
          QE    PHE   45 - QG1   VAL   70  10.72 +/- 1.23   3.548% *  0.0777% (0.61  1.00   0.02   0.02) =   0.007%
    Distance limit 3.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.745, residual support = 2.8:
          HA    VAL   41 - HB2   LEU   71   6.06 +/- 3.04  75.054% * 95.8609% (0.92   0.75   2.81) =  99.361%  kept
          HA    HIS  122 - HB2   LEU   71  15.54 +/- 5.57  13.623% *  2.6725% (0.97   0.02   0.02) =   0.503%  kept
          HA    PHE   45 - HB2   LEU   71  15.89 +/- 2.54   8.229% *  1.0393% (0.38   0.02   0.02) =   0.118%  kept
          HA    MET   92 - HB2   LEU   71  22.17 +/- 4.17   3.094% *  0.4273% (0.15   0.02   0.02) =   0.018%
    Distance limit 3.67 A violated in 11 structures by 2.50 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 138.3:
      O   HN    LEU   71 - HB2   LEU   71   2.80 +/- 0.48  94.188% * 99.8011% (0.95  10.0   6.35 138.26) =  99.998%  kept
          HN    THR  118 - HB2   LEU   71  18.78 +/- 4.55   3.191% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB2   LEU   71  23.16 +/- 4.11   0.593% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   LEU   71  20.60 +/- 3.71   1.003% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB2   LEU   71  15.90 +/- 1.81   1.026% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.27, residual support = 138.3:
      O   HN    LEU   71 - HB3   LEU   71   3.36 +/- 0.45  96.895% * 99.8011% (0.95  10.0   6.27 138.26) =  99.999%  kept
          HN    GLU- 114 - HB3   LEU   71  23.44 +/- 3.97   0.393% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.14 +/- 4.46   1.113% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.82 +/- 3.67   0.548% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   71  15.80 +/- 1.80   1.050% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.93, residual support = 138.2:
      O   HB2   LEU   71 - HG    LEU   71   2.59 +/- 0.17  58.380% * 99.3720% (0.97  10.0   4.93 138.26) =  99.985%  kept
          HB3   GLN   17 - HG    LEU   71   9.10 +/- 3.34   4.597% *  0.0501% (0.49   1.0   0.02   0.02) =   0.004%
          HB    VAL   41 - HG    LEU   71   8.92 +/- 2.45   2.691% *  0.0501% (0.49   1.0   0.02   2.81) =   0.002%
          HB2   LEU   71 - HG13  ILE   19   7.40 +/- 3.02   8.706% *  0.0142% (0.14   1.0   0.02   0.64) =   0.002%
          HB    VAL   41 - HG13  ILE   19  10.32 +/- 4.28  12.982% *  0.0072% (0.07   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HG    LEU   71  11.81 +/- 1.43   0.824% *  0.1009% (0.98   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG    LEU   71  11.90 +/- 1.44   0.771% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.44 +/- 1.26   7.276% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  16.44 +/- 3.79   0.317% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG    LEU   71  21.51 +/- 4.10   0.195% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  15.94 +/- 3.89   0.460% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.23 +/- 2.10   0.999% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.69 +/- 1.10   0.566% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.48 +/- 4.87   0.260% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.57 +/- 3.81   0.224% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  22.18 +/- 2.71   0.110% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.65 +/- 4.09   0.287% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.06 +/- 3.45   0.084% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.95 +/- 3.99   0.199% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  24.94 +/- 2.31   0.074% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 6.76, residual support = 138.3:
          HN    LEU   71 - QD2   LEU   71   2.85 +/- 1.11  94.944% * 99.7035% (0.87   6.76 138.26) =  99.995%  kept
          HN    THR   26 - QD2   LEU   71  12.97 +/- 2.13   3.528% *  0.0848% (0.25   0.02   0.02) =   0.003%
          HN    GLU- 114 - QD2   LEU   71  19.38 +/- 3.78   0.610% *  0.1656% (0.49   0.02   0.02) =   0.001%
          HN    GLN  116 - QD2   LEU   71  17.15 +/- 3.71   0.918% *  0.0460% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.23, residual support = 19.2:
          HN    PHE   72 - QD2   LEU   71   3.86 +/- 0.28  92.723% * 99.5623% (0.73   5.23  19.16) =  99.966%  kept
          HN    LEU  104 - QD2   LEU   71  12.94 +/- 3.18   7.277% *  0.4377% (0.84   0.02   0.02) =   0.034%
    Distance limit 3.33 A violated in 0 structures by 0.54 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 5.27, residual support = 41.6:
      O   HN    LEU   73 - HA    PHE   72   2.51 +/- 0.11  53.849% * 93.2464% (0.61  10.0   5.43  42.98) =  96.433%  kept
          HN    VAL   42 - HA    PHE   72   4.51 +/- 2.70  31.241% *  5.3141% (0.61   1.0   1.14   4.09) =   3.188%  kept
          HN    ILE   19 - HA    PHE   72   5.24 +/- 3.07  14.605% *  1.3463% (0.13   1.0   1.32   0.11) =   0.378%  kept
          HN    LYS+ 106 - HA    PHE   72  16.00 +/- 3.43   0.305% *  0.0932% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.73 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 = 5.05, residual support = 90.3:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.03  98.265% * 99.9786% (0.71  10.0   5.05  90.29) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  13.32 +/- 3.41   1.735% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.451, support = 2.07, residual support = 30.4:
          HG    LEU   73 - HA    PHE   72   4.52 +/- 0.91  38.119% * 45.7690% (0.37   2.67  42.98) =  69.101%  kept
          HG12  ILE   19 - HA    PHE   72   5.98 +/- 3.11  33.351% * 16.1634% (0.74   0.48   0.11) =  21.350%  kept
          HB3   LYS+  74 - HA    PHE   72   8.08 +/- 1.15   7.861% * 22.8891% (0.31   1.58   1.24) =   7.127%  kept
          HB3   LEU   67 - HA    PHE   72   8.94 +/- 1.33   4.747% * 11.4672% (0.66   0.38  27.86) =   2.156%  kept
          QB    ALA   61 - HA    PHE   72   9.58 +/- 1.45   3.575% *  0.6798% (0.74   0.02   0.02) =   0.096%
          HG    LEU   80 - HA    PHE   72  16.74 +/- 5.09   1.372% *  0.7028% (0.76   0.02   0.02) =   0.038%
          QG    LYS+  66 - HA    PHE   72  11.97 +/- 1.20   1.803% *  0.4838% (0.52   0.02   0.27) =   0.035%
          QB    LEU   98 - HA    PHE   72   9.74 +/- 3.01   4.727% *  0.1394% (0.15   0.02   0.02) =   0.026%
          HD3   LYS+ 121 - HA    PHE   72  15.48 +/- 5.04   1.999% *  0.3158% (0.34   0.02   0.02) =   0.025%
          QB    ALA  110 - HA    PHE   72  19.37 +/- 3.60   0.813% *  0.6981% (0.76   0.02   0.02) =   0.022%
          HB2   LEU   80 - HA    PHE   72  16.25 +/- 3.55   1.012% *  0.4272% (0.46   0.02   0.02) =   0.017%
          HG2   LYS+ 102 - HA    PHE   72  17.52 +/- 3.17   0.622% *  0.2644% (0.29   0.02   0.02) =   0.007%
    Distance limit 3.51 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.58, residual support = 42.9:
          QD2   LEU   73 - HB2   PHE   72   3.37 +/- 0.75  50.965% * 98.9702% (0.82   5.59  42.98) =  99.828%  kept
          HG    LEU   31 - HB2   PHE   72   8.51 +/- 2.36  13.179% *  0.3241% (0.75   0.02   0.02) =   0.085%
          QG1   VAL   41 - HB2   PHE   72   6.30 +/- 2.35  17.892% *  0.1233% (0.28   0.02   0.02) =   0.044%
          QD1   ILE   56 - HB2   PHE   72  12.88 +/- 2.68   2.927% *  0.3488% (0.81   0.02   0.02) =   0.020%
          QG1   VAL   43 - HB2   PHE   72   6.57 +/- 2.29  13.476% *  0.0715% (0.17   0.02   0.02) =   0.019%
          HG3   LYS+ 121 - HB2   PHE   72  15.36 +/- 4.45   1.561% *  0.1620% (0.37   0.02   0.02) =   0.005%
    Distance limit 3.72 A violated in 1 structures by 0.19 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.2, residual support = 46.1:
        T QB    ALA   64 - HB2   PHE   72   4.02 +/- 0.65  97.154% * 99.9825% (0.84 10.00   3.20  46.06) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  14.09 +/- 1.39   2.846% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 6.03, residual support = 42.2:
          QD2   LEU   73 - HB3   PHE   72   4.34 +/- 0.63  32.781% * 95.9497% (0.72   6.13  42.98) =  98.202%  kept
          QG2   VAL   18 - HB3   PHE   72   6.65 +/- 2.30  15.078% *  2.8526% (0.33   0.41   0.94) =   1.343%  kept
          QG1   VAL   41 - HB3   PHE   72   5.98 +/- 2.38  24.511% *  0.2999% (0.69   0.02   0.02) =   0.230%  kept
          HG    LEU   31 - HB3   PHE   72   8.96 +/- 2.55  11.539% *  0.3543% (0.82   0.02   0.02) =   0.128%  kept
          QG1   VAL   43 - HB3   PHE   72   7.18 +/- 1.84   9.482% *  0.2272% (0.53   0.02   0.02) =   0.067%
          QD1   ILE   56 - HB3   PHE   72  13.01 +/- 2.85   2.584% *  0.2121% (0.49   0.02   0.02) =   0.017%
          QG2   THR   46 - HB3   PHE   72  10.81 +/- 2.37   4.025% *  0.1041% (0.24   0.02   0.02) =   0.013%
    Distance limit 3.58 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.58, residual support = 46.1:
        T QB    ALA   64 - HB3   PHE   72   3.97 +/- 0.88  92.638% * 99.9693% (0.63 10.00   3.58  46.06) =  99.998%  kept
          QD1   LEU  115 - HB3   PHE   72  12.10 +/- 2.75   7.362% *  0.0307% (0.19  1.00   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 1 structures by 0.57 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.542, support = 0.544, residual support = 9.86:
        T HA    VAL   18 - HB2   PHE   72   6.42 +/- 2.95  38.868% * 67.0469% (0.47 10.00   0.41   0.94) =  79.459%  kept
          HA    VAL   70 - HB2   PHE   72   6.87 +/- 0.24  21.458% * 30.7030% (0.82  1.00   1.09  45.40) =  20.088%  kept
          HA    GLN  116 - HB2   PHE   72  15.63 +/- 3.57  10.042% *  0.5659% (0.82  1.00   0.02   0.02) =   0.173%  kept
          HB2   SER   37 - HB2   PHE   72  11.77 +/- 2.40  10.023% *  0.3502% (0.51  1.00   0.02   0.02) =   0.107%  kept
          HA    LYS+  33 - HB2   PHE   72  13.07 +/- 2.77   5.417% *  0.4412% (0.64  1.00   0.02   0.02) =   0.073%
          HA    GLU-  29 - HB2   PHE   72  13.08 +/- 2.06   4.908% *  0.3502% (0.51  1.00   0.02   0.02) =   0.052%
          HA1   GLY   16 - HB2   PHE   72  11.32 +/- 3.17   6.221% *  0.1605% (0.23  1.00   0.02   0.02) =   0.030%
          HB2   SER   82 - HB2   PHE   72  19.57 +/- 3.83   1.417% *  0.2810% (0.41  1.00   0.02   0.02) =   0.012%
          HA    SER   48 - HB2   PHE   72  17.29 +/- 2.38   1.646% *  0.1011% (0.15  1.00   0.02   0.02) =   0.005%
    Distance limit 3.76 A violated in 6 structures by 1.46 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.474, support = 0.957, residual support = 35.0:
          HA    VAL   70 - HB3   PHE   72   5.52 +/- 0.75  34.003% * 58.0517% (0.53  1.00   1.09  45.40) =  76.754%  kept
          HA    VAL   18 - HB3   PHE   72   6.53 +/- 3.22  29.278% * 11.5858% (0.15  1.00   0.75   0.94) =  13.190%  kept
          HA    GLN  116 - HB3   PHE   72  15.63 +/- 3.57  10.314% * 18.1773% (0.53  1.00   0.34   0.02) =   7.290%  kept
        T HA    LYS+  33 - HB3   PHE   72  12.84 +/- 2.94   6.258% *  5.4450% (0.27 10.00   0.02   0.02) =   1.325%  kept
          HB2   SER   37 - HB3   PHE   72  10.97 +/- 2.28   8.971% *  1.7292% (0.85  1.00   0.02   0.02) =   0.603%  kept
        T HA    GLU-  29 - HB3   PHE   72  13.50 +/- 2.35   3.655% *  3.4912% (0.17 10.00   0.02   0.02) =   0.496%  kept
          HA1   GLY   16 - HB3   PHE   72  10.52 +/- 3.72   6.714% *  1.2810% (0.63  1.00   0.02   0.02) =   0.334%  kept
          HB2   SER   82 - HB3   PHE   72  20.79 +/- 3.60   0.808% *  0.2388% (0.12  1.00   0.02   0.02) =   0.008%
    Distance limit 3.89 A violated in 1 structures by 0.94 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.83, residual support = 90.3:
      O T QD    PHE   72 - HB3   PHE   72   2.47 +/- 0.10  91.347% * 94.6289% (0.87  10.0 10.00   4.84  90.29) =  99.620%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   7.009% *  4.4957% (0.27   1.0  1.00   3.07  90.29) =   0.363%  kept
        T QE    PHE   45 - HB3   PHE   72  10.19 +/- 1.54   1.644% *  0.8755% (0.80   1.0 10.00   0.02   0.02) =   0.017%
    Distance limit 3.48 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 = 0.832, support = 4.55, residual support = 90.3:
      O T QD    PHE   72 - HB2   PHE   72   2.39 +/- 0.12  91.440% * 95.5908% (0.83  10.0 10.00   4.56  90.29) =  99.685%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.357% *  4.3208% (0.26   1.0  1.00   2.92  90.29) =   0.313%  kept
          QE    PHE   45 - HB2   PHE   72   9.29 +/- 1.81   2.203% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.58 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 = 4.95, residual support = 90.3:
      O   HN    PHE   72 - HB2   PHE   72   3.65 +/- 0.35  96.398% * 99.9402% (0.79  10.0   4.95  90.29) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  12.72 +/- 2.79   3.602% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.918, support = 0.731, residual support = 5.79:
          HG3   GLN   30 - HA    LEU   73   6.27 +/- 3.32  31.840% * 50.5247% (0.99   0.74   5.87) =  63.516%  kept
          HB2   GLN   30 - HA    LEU   73   6.98 +/- 2.91  21.367% * 41.6293% (0.80   0.75   5.87) =  35.119%  kept
          HB3   PRO   68 - HA    LEU   73  12.89 +/- 2.51   8.893% *  1.2026% (0.87   0.02   0.02) =   0.422%  kept
          HB2   GLN   17 - HA    LEU   73   9.46 +/- 3.71   9.862% *  0.6748% (0.49   0.02   0.02) =   0.263%  kept
          QB    GLU-  15 - HA    LEU   73  10.99 +/- 3.22   5.729% *  0.6748% (0.49   0.02   0.02) =   0.153%  kept
          HB2   PRO   93 - HA    LEU   73  15.81 +/- 3.25   9.051% *  0.3087% (0.22   0.02   0.02) =   0.110%  kept
          HB    ILE  119 - HA    LEU   73  18.17 +/- 2.82   2.433% *  1.1101% (0.80   0.02   0.02) =   0.107%  kept
          HB3   GLU- 100 - HA    LEU   73  18.08 +/- 3.11   1.732% *  1.2026% (0.87   0.02   0.02) =   0.082%
          HB    VAL  108 - HA    LEU   73  19.62 +/- 3.21   2.130% *  0.7849% (0.57   0.02   0.02) =   0.066%
          HB2   ARG+  54 - HA    LEU   73  20.09 +/- 3.54   2.404% *  0.6748% (0.49   0.02   0.02) =   0.064%
          HB3   GLU-  25 - HA    LEU   73  13.58 +/- 1.98   3.047% *  0.4279% (0.31   0.02   0.02) =   0.051%
          HB2   LYS+ 111 - HA    LEU   73  23.50 +/- 3.60   1.512% *  0.7849% (0.57   0.02   0.02) =   0.047%
    Distance limit 3.77 A violated in 8 structures by 1.22 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.65, residual support = 41.5:
      O   HN    LYS+  74 - HA    LEU   73   2.57 +/- 0.20  96.728% * 99.6525% (0.69  10.0   5.65  41.48) =  99.998%  kept
          HN    THR   46 - HA    LEU   73  11.99 +/- 3.11   2.161% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  20.02 +/- 4.53   0.484% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HA    LEU   73  21.85 +/- 3.92   0.298% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  19.22 +/- 3.14   0.330% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 6.29, residual support = 167.6:
      O   HN    LEU   73 - HA    LEU   73   2.88 +/- 0.03  44.256% * 96.2312% (0.80  10.0   6.41 172.65) =  96.969%  kept
          HN    ILE   19 - HA    LEU   73   3.96 +/- 4.36  51.083% *  2.5082% (0.18   1.0   2.38   5.40) =   2.917%  kept
          HN    VAL   42 - HA    LEU   73   7.32 +/- 2.61   4.262% *  1.1645% (0.80   1.0   0.24   0.51) =   0.113%  kept
          HN    LYS+ 106 - HA    LEU   73  17.87 +/- 3.09   0.399% *  0.0962% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.32 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 = 6.17, residual support = 171.9:
      O   HN    LEU   73 - HB2   LEU   73   3.38 +/- 0.22  86.732% * 96.6802% (0.38  10.0   6.20 172.65) =  99.562%  kept
          HN    VAL   42 - HB2   LEU   73   8.18 +/- 2.76  11.921% *  3.0628% (0.38   1.0   0.63   0.51) =   0.434%  kept
          HN    LYS+ 106 - HB2   LEU   73  18.15 +/- 3.57   1.347% *  0.2570% (1.00   1.0   0.02   0.02) =   0.004%
    Distance limit 4.00 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 = 0.846, support = 0.584, residual support = 3.63:
          HA    VAL   43 - HB2   LEU   73   7.69 +/- 3.47  50.145% * 73.2242% (0.80  1.00   0.75   4.69) =  77.234%  kept
        T HA    HIS   22 - HB2   LEU   73   7.56 +/- 1.85  43.789% * 24.3856% (1.00 10.00   0.02   0.02) =  22.461%  kept
          HA    ASN   69 - HB2   LEU   73  14.24 +/- 0.87   6.065% *  2.3903% (0.98  1.00   0.02   0.02) =   0.305%  kept
    Distance limit 3.99 A violated in 13 structures by 1.98 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.44, residual support = 41.5:
          HN    LYS+  74 - HB3   LEU   73   3.19 +/- 0.84  95.037% * 97.4968% (0.25   5.44  41.48) =  99.958%  kept
          HN    LYS+ 112 - HB3   LEU   73  21.67 +/- 4.02   1.480% *  1.0985% (0.76   0.02   0.02) =   0.018%
          HN    ASP-  78 - HB3   LEU   73  12.34 +/- 0.97   2.415% *  0.5909% (0.41   0.02   0.02) =   0.015%
          HN    MET   11 - HB3   LEU   73  20.83 +/- 4.77   1.068% *  0.8138% (0.57   0.02   0.02) =   0.009%
    Distance limit 4.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.745, support = 5.5, residual support = 163.9:
          HN    LEU   73 - HG    LEU   73   2.66 +/- 0.81  37.327% * 64.8231% (0.80   5.67 172.65) =  90.016%  kept
          HN    ILE   19 - HG12  ILE   19   3.32 +/- 0.94  26.388% *  5.0625% (0.06   6.20 168.63) =   4.970%  kept
          HN    VAL   42 - HG    LEU   73   7.02 +/- 2.81   3.546% * 14.2874% (0.80   1.25   0.51) =   1.885%  kept
          HN    ILE   19 - HG    LEU   73   6.25 +/- 3.42   4.403% *  7.1425% (0.18   2.86   5.40) =   1.170%  kept
          HN    VAL   42 - HG    LEU   40   5.27 +/- 0.85   5.077% *  5.0264% (0.15   2.36   1.42) =   0.949%  kept
          HN    LEU   73 - HG12  ILE   19   6.46 +/- 3.07   9.268% *  1.9167% (0.26   0.51   5.40) =   0.661%  kept
          HN    VAL   42 - HG12  ILE   19   9.34 +/- 3.71   7.402% *  1.2336% (0.26   0.33   0.02) =   0.340%  kept
          HN    LYS+ 106 - HG    LEU   73  17.05 +/- 3.75   0.483% *  0.2286% (0.80   0.02   0.02) =   0.004%
          HN    LEU   73 - HG    LEU   40   8.70 +/- 1.51   1.616% *  0.0426% (0.15   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   40  13.09 +/- 3.40   0.504% *  0.0426% (0.15   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  14.66 +/- 5.29   0.675% *  0.0278% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.62 +/- 4.07   0.165% *  0.0747% (0.26   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  16.78 +/- 5.44   0.310% *  0.0278% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  10.37 +/- 1.59   0.785% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  10.80 +/- 1.97   0.594% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.79 +/- 3.45   0.442% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.29 +/- 3.44   0.084% *  0.0278% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  17.26 +/- 6.10   0.318% *  0.0061% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  14.69 +/- 1.69   0.282% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.54 +/- 2.88   0.332% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.121, support = 1.3, residual support = 1.41:
          HN    LEU   71 - HG    LEU   40   4.80 +/- 0.96  46.755% * 23.3396% (0.05   1.73   1.87) =  59.081%  kept
          HN    LEU   71 - HG12  ILE   19   8.24 +/- 2.53  20.826% * 17.8898% (0.09   0.76   0.64) =  20.171%  kept
          HN    LEU   71 - HG    LEU   73   9.41 +/- 0.76   6.262% * 51.3075% (0.28   0.71   1.01) =  17.394%  kept
          HN    THR   26 - HG    LEU   73   8.95 +/- 2.38  11.597% *  4.3589% (0.84   0.02   0.02) =   2.737%  kept
          HN    THR   26 - HG12  ILE   19  11.00 +/- 1.45   5.113% *  1.4235% (0.27   0.02   0.02) =   0.394%  kept
          HN    THR   26 - HG    LEU   80  16.04 +/- 7.99   5.328% *  0.5304% (0.10   0.02   0.02) =   0.153%  kept
          HN    THR   26 - HG    LEU   40  17.53 +/- 2.53   1.233% *  0.8127% (0.16   0.02   0.02) =   0.054%
          HN    LEU   71 - HG    LEU   80  20.66 +/- 4.58   0.872% *  0.1766% (0.03   0.02   0.02) =   0.008%
          HN    THR   26 - HG    LEU  115  24.20 +/- 3.48   0.691% *  0.1209% (0.02   0.02   0.02) =   0.005%
          HN    LEU   71 - HG    LEU  115  17.11 +/- 2.78   1.323% *  0.0402% (0.01   0.02   0.02) =   0.003%
    Distance limit 3.99 A violated in 0 structures by 0.52 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.92, residual support = 171.5:
          HN    LEU   73 - QD2   LEU   73   1.96 +/- 0.62  78.011% * 96.0612% (0.38   7.97 172.65) =  99.311%  kept
          HN    VAL   42 - QD2   LEU   73   4.83 +/- 2.40  17.473% *  2.9155% (0.38   0.24   0.51) =   0.675%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  10.37 +/- 5.48   3.369% *  0.2184% (0.34   0.02   0.02) =   0.010%
          HN    LYS+ 106 - QD2   LEU   73  13.34 +/- 2.51   0.408% *  0.6405% (1.00   0.02   0.02) =   0.003%
          HN    VAL   42 - HG3   LYS+ 121  14.50 +/- 4.71   0.528% *  0.0822% (0.13   0.02   0.02) =   0.001%
          HN    LEU   73 - HG3   LYS+ 121  17.32 +/- 4.48   0.210% *  0.0822% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.9, residual support = 41.4:
          HN    LYS+  74 - QD2   LEU   73   3.92 +/- 0.61  86.919% * 96.8194% (0.25   5.91  41.48) =  99.906%  kept
          HN    LYS+ 112 - QD2   LEU   73  17.61 +/- 2.92   3.546% *  1.0043% (0.76   0.02   0.02) =   0.042%
          HN    ASP-  78 - QD2   LEU   73  11.08 +/- 1.65   4.093% *  0.5402% (0.41   0.02   0.02) =   0.026%
          HN    MET   11 - QD2   LEU   73  17.97 +/- 3.73   1.820% *  0.7440% (0.57   0.02   0.02) =   0.016%
          HN    LYS+ 112 - HG3   LYS+ 121  16.42 +/- 1.55   1.421% *  0.3425% (0.26   0.02   0.02) =   0.006%
          HN    LYS+  74 - HG3   LYS+ 121  19.71 +/- 4.13   1.375% *  0.1117% (0.09   0.02   0.02) =   0.002%
          HN    ASP-  78 - HG3   LYS+ 121  23.13 +/- 3.18   0.631% *  0.1842% (0.14   0.02   0.02) =   0.001%
          HN    MET   11 - HG3   LYS+ 121  33.58 +/- 4.80   0.196% *  0.2537% (0.19   0.02   0.02) =   0.001%
    Distance limit 3.98 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 = 5.79, residual support = 186.6:
      O   HN    LYS+  74 - HB2   LYS+  74   2.83 +/- 0.49  95.415% * 98.7709% (0.20  10.0   5.79 186.70) =  99.973%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.04 +/- 0.97   2.965% *  0.7022% (0.33   1.0   0.09   0.02) =   0.022%
          HN    LYS+ 112 - HB2   LYS+  74  21.15 +/- 3.49   0.777% *  0.3027% (0.61   1.0   0.02   0.02) =   0.002%
          HN    MET   11 - HB2   LYS+  74  21.74 +/- 4.81   0.843% *  0.2243% (0.45   1.0   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.48, residual support = 31.8:
          HN    VAL   75 - HB3   LYS+  74   4.39 +/- 0.22  87.734% * 95.6258% (0.41   4.49  31.92) =  99.658%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.25 +/- 0.95   7.144% *  3.8732% (0.87   0.09   0.02) =   0.329%  kept
          HN    MET   11 - HB3   LYS+  74  21.64 +/- 5.21   3.868% *  0.1814% (0.18   0.02   0.02) =   0.008%
          HN    LYS+ 112 - HB3   LYS+  74  21.33 +/- 3.38   1.254% *  0.3196% (0.31   0.02   0.02) =   0.005%
    Distance limit 3.73 A violated in 0 structures by 0.65 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.91, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.46 +/- 0.66  91.902% * 98.2429% (0.84   5.92  31.92) =  99.897%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.21 +/- 1.35   5.481% *  1.6799% (0.98   0.09   0.02) =   0.102%  kept
          HN    ASP-  78 - HG3   LYS+ 111  20.32 +/- 3.83   1.716% *  0.0416% (0.10   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  20.55 +/- 3.05   0.901% *  0.0355% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.718, residual support = 0.717:
          QG1   VAL   75 - HA    THR   77   3.85 +/- 0.30  93.382% * 97.8923% (0.84   0.72   0.72) =  99.848%  kept
          QD1   LEU  115 - HA    THR   77  11.78 +/- 2.63   6.618% *  2.1077% (0.65   0.02   0.02) =   0.152%  kept
    Distance limit 3.54 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.1:
      O   HN    ASP-  78 - HB3   ASP-  78   2.74 +/- 0.64  97.867% * 99.9053% (0.95  10.0   3.95  39.10) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.35 +/- 0.95   2.133% *  0.0947% (0.90   1.0   0.02   0.31) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 39.1:
      O   HN    ASP-  78 - HB2   ASP-  78   2.78 +/- 0.44  97.759% * 99.9053% (0.95  10.0   5.24  39.10) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78  10.12 +/- 0.58   2.241% *  0.0947% (0.90   1.0   0.02   0.31) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 56.0:
      O T HB3   GLU-  79 - HA    GLU-  79   2.69 +/- 0.22  97.049% * 99.1581% (1.00  10.0 10.00   4.35  56.01) =  99.989%  kept
        T HB2   GLN   90 - HA    GLU-  79  14.25 +/- 3.45   1.696% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.011%
          HB3   GLU-  29 - HA    GLU-  79  20.68 +/- 4.44   0.349% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  19.70 +/- 4.63   0.446% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  24.03 +/- 3.21   0.172% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  25.83 +/- 3.88   0.288% *  0.0221% (0.22   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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.61, residual support = 56.0:
      O   QG    GLU-  79 - HB3   GLU-  79   2.42 +/- 0.14  95.762% * 99.5936% (0.98  10.0   3.61  56.01) =  99.999%  kept
          QG    GLU-  79 - HB2   GLN   90  13.46 +/- 2.74   1.204% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  21.59 +/- 5.07   0.400% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  20.78 +/- 4.14   0.209% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  18.86 +/- 2.80   0.250% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  24.10 +/- 3.82   0.128% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  17.53 +/- 2.49   0.351% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  19.03 +/- 3.65   0.352% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  13.85 +/- 2.71   0.788% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  18.22 +/- 3.08   0.373% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  26.07 +/- 3.50   0.096% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  26.54 +/- 3.15   0.087% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.924, support = 2.87, residual support = 8.25:
          HB2   ASP-  76 - HB3   GLU-  79   3.19 +/- 0.78  72.745% * 35.8375% (1.00  1.00   2.05   3.32) =  68.508%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.43 +/- 0.71  19.176% * 62.4139% (0.76  1.00   4.66  19.01) =  31.452%  kept
        T HB2   ASN   28 - HB3   GLU-  79  17.34 +/- 5.03   1.138% *  0.6132% (0.18 10.00   0.02   0.02) =   0.018%
          HB2   ASP-  78 - HB2   GLN   90  14.07 +/- 3.92   2.362% *  0.0994% (0.28  1.00   0.02   0.02) =   0.006%
          HB2   ASP-  76 - HB2   GLN   90  14.51 +/- 3.41   1.785% *  0.1298% (0.37  1.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - HB3   GLU-  79  22.64 +/- 2.12   0.432% *  0.3379% (0.97  1.00   0.02   0.02) =   0.004%
          QE    LYS+  33 - HB3   GLU-  79  19.03 +/- 4.35   0.760% *  0.0873% (0.25  1.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HB2   GLN   90  24.60 +/- 4.56   0.237% *  0.2279% (0.07 10.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB3   GLU-  79  18.05 +/- 3.06   0.643% *  0.0693% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  27.19 +/- 2.40   0.186% *  0.1256% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  22.95 +/- 3.32   0.336% *  0.0257% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  25.66 +/- 3.06   0.200% *  0.0324% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.35, residual support = 56.0:
      O T HA    GLU-  79 - HB3   GLU-  79   2.69 +/- 0.22  66.552% * 97.6627% (0.80  10.0 10.00   4.35  56.01) =  99.920%  kept
          HB    THR   77 - HB3   GLU-  79   7.62 +/- 0.85   3.316% *  1.2473% (0.31   1.0  1.00   0.66   0.02) =   0.064%
        T HA    GLU-  79 - HB2   GLN   90  14.25 +/- 3.45   1.015% *  0.3629% (0.30   1.0 10.00   0.02   0.02) =   0.006%
          HB    THR   77 - HB2   GLN   90   9.79 +/- 4.39  15.427% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   57 - HB3   GLU-  79  16.66 +/- 5.84   1.234% *  0.1196% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   GLN   90   6.89 +/- 1.96   7.040% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB3   GLU-  79  18.05 +/- 4.08   0.646% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  12.61 +/- 1.11   0.800% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.00 +/- 1.79   0.940% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  17.19 +/- 4.11   0.441% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  19.46 +/- 3.62   0.317% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.63 +/- 2.32   0.135% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.99 +/- 4.68   0.318% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.35 +/- 1.44   0.648% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  23.68 +/- 3.97   0.177% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  20.58 +/- 3.96   0.443% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.14 +/- 3.11   0.294% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.05 +/- 5.30   0.143% *  0.0272% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.77 +/- 2.36   0.076% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.95 +/- 5.52   0.038% *  0.0101% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 87.9:
      O T HA    GLN   90 - HB2   GLN   90   2.66 +/- 0.22  74.827% * 87.0295% (0.27  10.0 10.00   3.96  89.31) =  97.595%  kept
          HA    ALA   91 - HB2   GLN   90   4.71 +/- 0.58  16.573% *  9.4597% (0.18   1.0  1.00   3.24  32.30) =   2.350%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.61 +/- 2.71   1.173% *  2.3423% (0.73   1.0 10.00   0.02   0.02) =   0.041%
          HA    ALA   91 - HB3   GLU-  79  14.72 +/- 3.56   2.589% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HA    TRP   27 - HB3   GLU-  79  13.64 +/- 5.25   1.717% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB3   GLU-  79  21.94 +/- 4.09   0.366% *  0.2694% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  20.76 +/- 5.25   0.565% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   GLN   90  14.13 +/- 3.01   0.802% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   GLN   90  14.23 +/- 2.82   0.759% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  19.44 +/- 2.32   0.223% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  20.70 +/- 3.20   0.195% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  21.73 +/- 3.93   0.208% *  0.0333% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.911, support = 2.85, residual support = 9.15:
          HB2   ASP-  76 - HB2   GLU-  79   3.33 +/- 0.81  73.068% * 35.4512% (1.00   1.90   3.32) =  62.810%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.43 +/- 0.88  23.977% * 63.9536% (0.76   4.46  19.01) =  37.182%  kept
          HB2   ASN   69 - HB2   GLU-  79  22.73 +/- 2.17   0.366% *  0.3619% (0.97   0.02   0.02) =   0.003%
          QE    LYS+  66 - HB2   GLU-  79  18.13 +/- 3.07   1.031% *  0.0742% (0.20   0.02   0.02) =   0.002%
          HB2   ASN   28 - HB2   GLU-  79  17.60 +/- 5.16   0.998% *  0.0657% (0.18   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB2   GLU-  79  19.31 +/- 4.45   0.560% *  0.0935% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.64, residual support = 49.0:
          HN    LEU   80 - HB2   GLU-  79   2.75 +/- 0.47  93.644% * 98.5838% (0.61   5.64  49.04) =  99.981%  kept
          HN    SER   85 - HB2   GLU-  79   9.76 +/- 1.07   2.463% *  0.2807% (0.49   0.02   0.02) =   0.007%
          HN    CYS   53 - HB2   GLU-  79  15.88 +/- 4.25   3.042% *  0.2164% (0.38   0.02   0.02) =   0.007%
          HN    GLN   32 - HB2   GLU-  79  19.87 +/- 4.87   0.484% *  0.5003% (0.87   0.02   0.02) =   0.003%
          HN    ALA   34 - HB2   GLU-  79  20.57 +/- 4.07   0.366% *  0.4188% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.76, residual support = 49.0:
          HN    LEU   80 - HB3   GLU-  79   3.19 +/- 0.76  74.201% * 97.9846% (0.61   5.76  49.04) =  99.945%  kept
          HN    SER   85 - HB2   GLN   90   8.09 +/- 2.14   9.962% *  0.1014% (0.18   0.02   0.02) =   0.014%
          HN    CYS   53 - HB3   GLU-  79  16.16 +/- 4.40   3.998% *  0.2105% (0.38   0.02   0.02) =   0.012%
          HN    LEU   80 - HB2   GLN   90  12.28 +/- 2.99   6.251% *  0.1264% (0.23   0.02   0.02) =   0.011%
          HN    SER   85 - HB3   GLU-  79  10.35 +/- 1.00   2.688% *  0.2730% (0.49   0.02   0.02) =   0.010%
          HN    GLN   32 - HB3   GLU-  79  19.61 +/- 4.73   0.569% *  0.4865% (0.87   0.02   0.02) =   0.004%
          HN    ALA   34 - HB3   GLU-  79  20.35 +/- 3.99   0.439% *  0.4073% (0.73   0.02   0.02) =   0.002%
          HN    CYS   53 - HB2   GLN   90  15.76 +/- 3.34   1.448% *  0.0782% (0.14   0.02   0.02) =   0.002%
          HN    GLN   32 - HB2   GLN   90  25.89 +/- 3.89   0.241% *  0.1808% (0.32   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   GLN   90  26.30 +/- 2.74   0.201% *  0.1513% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 89.3:
      O   HN    GLN   90 - HB2   GLN   90   3.77 +/- 0.28  77.395% * 98.6230% (0.23  10.0   5.59  89.31) =  99.960%  kept
          HN    GLN   90 - HB3   GLU-  79  12.96 +/- 2.03   3.109% *  0.2654% (0.61   1.0   0.02   0.02) =   0.011%
          HE1   HIS   22 - HB3   GLU-  79  11.60 +/- 5.51  11.470% *  0.0675% (0.15   1.0   0.02   0.02) =   0.010%
          HN    GLY  109 - HB2   GLN   90  11.27 +/- 3.46   4.922% *  0.1458% (0.33   1.0   0.02   0.02) =   0.009%
          HN    GLY  109 - HB3   GLU-  79  18.83 +/- 2.84   0.870% *  0.3925% (0.90   1.0   0.02   0.02) =   0.004%
          HN    ILE  103 - HB3   GLU-  79  20.61 +/- 4.46   0.923% *  0.3504% (0.80   1.0   0.02   0.02) =   0.004%
          HN    ILE  103 - HB2   GLN   90  19.98 +/- 3.56   0.727% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  22.72 +/- 4.55   0.584% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.22, residual support = 49.0:
          HN    LEU   80 - QG    GLU-  79   3.53 +/- 0.70  78.841% * 98.4729% (0.61   5.22  49.04) =  99.924%  kept
          HN    CYS   53 - QG    GLU-  79  15.12 +/- 4.66  14.094% *  0.2334% (0.38   0.02   0.02) =   0.042%
          HN    SER   85 - QG    GLU-  79   9.56 +/- 1.11   4.625% *  0.3027% (0.49   0.02   0.02) =   0.018%
          HN    GLN   32 - QG    GLU-  79  17.55 +/- 4.49   1.465% *  0.5394% (0.87   0.02   0.02) =   0.010%
          HN    ALA   34 - QG    GLU-  79  18.38 +/- 3.76   0.975% *  0.4516% (0.73   0.02   0.02) =   0.006%
    Distance limit 3.68 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.58, residual support = 49.0:
      O   HN    LEU   80 - HA    GLU-  79   3.49 +/- 0.26  94.870% * 99.2120% (0.28  10.0   5.58  49.04) =  99.984%  kept
          HN    SER   85 - HA    GLU-  79  10.31 +/- 0.85   4.046% *  0.2980% (0.84   1.0   0.02   0.02) =   0.013%
          HN    GLN   32 - HA    GLU-  79  21.01 +/- 4.43   0.625% *  0.3560% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    GLU-  79  21.97 +/- 3.58   0.459% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.672, support = 4.57, residual support = 86.7:
      O   HB2   LEU   80 - QD2   LEU   80   2.53 +/- 0.41  37.929% * 71.2691% (0.87  10.0  1.00   4.33  86.69) =  62.781%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.02  57.165% * 28.0259% (0.34  10.0  1.00   4.99  86.69) =  37.209%  kept
        T HB3   LEU   73 - QD2   LEU   80  11.19 +/- 4.39   1.316% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  74 - QD2   LEU   80  11.10 +/- 2.80   0.774% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD2   LEU   80  13.98 +/- 3.92   0.424% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   80  15.61 +/- 4.77   0.305% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.95 +/- 4.32   0.108% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  19.16 +/- 4.45   0.129% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  18.31 +/- 6.74   0.259% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  15.29 +/- 3.64   0.288% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  14.84 +/- 3.62   0.261% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.87 +/- 2.94   0.405% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  16.72 +/- 2.78   0.203% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.09 +/- 4.31   0.332% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  20.14 +/- 5.19   0.103% *  0.0183% (0.22   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 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 6.11, residual support = 84.0:
          HA    LEU   80 - QD2   LEU   80   2.25 +/- 0.46  85.805% * 63.0823% (0.87   6.27  86.69) =  96.836%  kept
          HA    THR   23 - QD2   LEU   80  11.13 +/- 6.48   6.131% * 15.9515% (0.99   1.39   0.39) =   1.750%  kept
          HA    ASP-  78 - QD2   LEU   80   6.77 +/- 1.07   4.567% *  9.1756% (0.80   0.99   5.64) =   0.750%  kept
          HB    THR   23 - QD2   LEU   80  12.19 +/- 6.38   3.177% * 11.6866% (0.73   1.39   0.39) =   0.664%  kept
          HA    ASP- 105 - QD2   LEU   80  19.10 +/- 3.13   0.320% *  0.1041% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.78 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 = 0.598, support = 4.6, residual support = 24.6:
          HN    LYS+  81 - QD2   LEU   80   3.93 +/- 0.78  49.704% * 38.2784% (0.38   6.03  41.17) =  53.582%  kept
          HE3   TRP   27 - QD2   LEU   80  11.92 +/- 7.59  29.362% * 48.7309% (0.92   3.12   6.29) =  40.297%  kept
          HN    THR   23 - QD2   LEU   80  10.85 +/- 6.23  17.330% * 12.4996% (0.41   1.80   0.39) =   6.101%  kept
          QD    PHE   55 - QD2   LEU   80  17.64 +/- 4.13   1.571% *  0.2936% (0.87   0.02   0.02) =   0.013%
          QE    PHE   95 - QD2   LEU   80  13.26 +/- 2.53   1.349% *  0.1518% (0.45   0.02   0.02) =   0.006%
          HN    LEU   67 - QD2   LEU   80  16.86 +/- 2.67   0.684% *  0.0458% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 1.63, residual support = 3.28:
          HN    VAL   24 - QD2   LEU   80  10.82 +/- 6.80  61.394% * 99.1255% (0.31   1.64   3.30) =  99.448%  kept
          HN    VAL   43 - QD2   LEU   80  13.01 +/- 3.90  38.606% *  0.8745% (0.22   0.02   0.02) =   0.552%  kept
    Distance limit 3.54 A violated in 14 structures by 5.87 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.286, support = 4.62, residual support = 36.0:
          HN    LYS+  81 - QD1   LEU   80   3.49 +/- 1.07  43.489% * 72.5991% (0.24   5.31  41.17) =  85.536%  kept
          HE3   TRP   27 - QD1   LEU   80  12.52 +/- 7.75  22.794% * 19.7759% (0.60   0.59   6.29) =  12.212%  kept
          HN    THR   23 - QD1   LEU   80  11.27 +/- 6.60  14.922% *  5.2486% (0.27   0.35   0.39) =   2.122%  kept
          HE3   TRP   27 - QD2   LEU   98   8.81 +/- 3.02   5.368% *  0.3854% (0.34   0.02   0.02) =   0.056%
          HN    LYS+  81 - QD2   LEU   98  15.39 +/- 4.12   4.394% *  0.1567% (0.14   0.02   0.02) =   0.019%
          QE    PHE   95 - QD2   LEU   98  10.12 +/- 1.63   2.941% *  0.1872% (0.17   0.02   0.02) =   0.015%
          QE    PHE   95 - QD1   LEU   80  13.15 +/- 2.43   1.436% *  0.3265% (0.29   0.02   0.02) =   0.013%
          QD    PHE   55 - QD1   LEU   80  17.42 +/- 3.53   0.702% *  0.6318% (0.56   0.02   0.02) =   0.012%
          HN    THR   23 - QD2   LEU   98  12.92 +/- 3.28   1.465% *  0.1716% (0.15   0.02   0.02) =   0.007%
          QD    PHE   55 - QD2   LEU   98  17.56 +/- 2.06   0.505% *  0.3621% (0.32   0.02   0.02) =   0.005%
          HN    LEU   67 - QD2   LEU   98  13.18 +/- 2.90   1.427% *  0.0565% (0.05   0.02   0.02) =   0.002%
          HN    LEU   67 - QD1   LEU   80  17.23 +/- 3.21   0.556% *  0.0986% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 105.7:
          HN    LYS+  81 - QG    LYS+  81   2.73 +/- 0.53  86.889% * 96.3653% (0.87   5.36 105.78) =  99.956%  kept
          HE3   TRP   27 - QG    LYS+  81  16.62 +/- 5.36   1.063% *  2.5241% (0.45   0.27   0.02) =   0.032%
          HE3   TRP   27 - HG2   LYS+  33   8.70 +/- 0.89   3.679% *  0.0889% (0.21   0.02   0.02) =   0.004%
          QD    PHE   60 - QG    LYS+  81  15.10 +/- 2.74   0.963% *  0.2180% (0.53   0.02   0.02) =   0.003%
          QD    PHE   60 - HG2   LYS+  33  16.75 +/- 3.85   1.143% *  0.1044% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QG    LYS+  81  17.69 +/- 3.28   0.462% *  0.1555% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  66 - HG2   LYS+  33  16.40 +/- 3.63   1.967% *  0.0268% (0.06   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  14.37 +/- 2.91   1.051% *  0.0480% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  24.25 +/- 5.96   0.258% *  0.1721% (0.42   0.02   0.02) =   0.001%
          HE3   TRP   27 - HG2   LYS+ 106  16.03 +/- 3.21   0.757% *  0.0409% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.06 +/- 3.72   0.344% *  0.0791% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  19.50 +/- 2.71   0.420% *  0.0561% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.83 +/- 2.84   0.456% *  0.0342% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.61 +/- 3.94   0.154% *  0.0744% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.72 +/- 2.76   0.395% *  0.0123% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.563, support = 0.02, residual support = 0.02:
          HN    GLU-  79 - QG    LYS+  81   6.40 +/- 1.13  52.010% * 29.1271% (0.65   0.02   0.02) =  80.705%  kept
          HN    VAL   70 - HG2   LYS+  33  12.86 +/- 3.56  15.963% *  8.8625% (0.20   0.02   0.02) =   7.536%  kept
          HN    THR   94 - QG    LYS+  81  12.41 +/- 1.86   8.927% * 11.2272% (0.25   0.02   0.02) =   5.339%  kept
          HN    THR   94 - HG2   LYS+ 106  11.26 +/- 1.40  12.402% *  2.4703% (0.05   0.02   0.02) =   1.632%  kept
          HN    VAL   70 - QG    LYS+  81  22.16 +/- 1.87   1.399% * 18.5105% (0.41   0.02   0.02) =   1.380%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.12 +/- 3.70   1.731% * 13.9455% (0.31   0.02   0.02) =   1.286%  kept
          HN    GLU-  79 - HG2   LYS+ 106  18.84 +/- 2.70   2.944% *  6.4088% (0.14   0.02   0.02) =   1.005%  kept
          HN    VAL   70 - HG2   LYS+ 106  17.95 +/- 2.70   2.987% *  4.0728% (0.09   0.02   0.02) =   0.648%  kept
          HN    THR   94 - HG2   LYS+  33  21.38 +/- 2.22   1.637% *  5.3754% (0.12   0.02   0.02) =   0.469%  kept
    Distance limit 3.87 A violated in 16 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.76, residual support = 105.8:
      O   HN    LYS+  81 - QB    LYS+  81   2.21 +/- 0.23  82.000% * 99.1682% (0.38  10.0   5.76 105.78) =  99.990%  kept
          QD    PHE   55 - HB3   PRO   52   5.42 +/- 1.20  10.316% *  0.0263% (0.10   1.0   0.02   0.35) =   0.003%
          QE    PHE   95 - QB    LYS+  81  14.23 +/- 2.44   1.405% *  0.1185% (0.45   1.0   0.02   0.02) =   0.002%
          QD    PHE   55 - QB    LYS+  81  18.38 +/- 3.32   0.521% *  0.2292% (0.87   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - QB    LYS+  81  16.87 +/- 5.64   0.457% *  0.2439% (0.92   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  15.38 +/- 5.40   0.570% *  0.1086% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   PRO   52   9.96 +/- 3.25   2.917% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.13 +/- 4.63   1.256% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  23.09 +/- 3.02   0.168% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  20.63 +/- 2.13   0.128% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  24.08 +/- 2.77   0.105% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.45 +/- 2.58   0.156% *  0.0041% (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 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 105.8:
      O   HN    LYS+  81 - HA    LYS+  81   2.80 +/- 0.05  97.205% * 99.8291% (0.87  10.0   5.37 105.78) =  99.999%  kept
          HE3   TRP   27 - HA    LYS+  81  17.11 +/- 5.81   1.056% *  0.0516% (0.45   1.0   0.02   0.02) =   0.001%
          QD    PHE   60 - HA    LYS+  81  15.74 +/- 3.32   0.791% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.07 +/- 3.47   0.644% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  20.55 +/- 2.75   0.305% *  0.0156% (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 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.447, support = 4.12, residual support = 36.2:
          HA    LEU   80 - QG    LYS+  81   4.58 +/- 0.57  40.773% * 85.4642% (0.38   4.65  41.17) =  87.986%  kept
          HA    ASP-  78 - QG    LYS+  81   4.98 +/- 1.98  40.292% * 11.6634% (0.98   0.24   0.02) =  11.866%  kept
          HA    THR   23 - QG    LYS+  81  15.08 +/- 5.91   4.440% *  0.7489% (0.76   0.02   0.02) =   0.084%
          HB    THR   23 - QG    LYS+  81  16.41 +/- 5.80   3.340% *  0.2444% (0.25   0.02   0.02) =   0.021%
          HA    PHE   45 - QG    LYS+  81  11.12 +/- 2.43   3.132% *  0.1512% (0.15   0.02   0.02) =   0.012%
          HA    THR   23 - HG2   LYS+  33  14.31 +/- 1.12   1.240% *  0.3586% (0.37   0.02   0.02) =   0.011%
          HB    THR   23 - HG2   LYS+  33  13.60 +/- 1.71   1.499% *  0.1170% (0.12   0.02   0.02) =   0.004%
          HA    ASP-  78 - HG2   LYS+ 106  19.75 +/- 3.04   0.744% *  0.2113% (0.22   0.02   0.02) =   0.004%
          HA    ASP-  78 - HG2   LYS+  33  23.79 +/- 3.28   0.280% *  0.4599% (0.47   0.02   0.02) =   0.003%
          HA    LEU   80 - HG2   LYS+  33  22.47 +/- 6.57   0.624% *  0.1761% (0.18   0.02   0.02) =   0.003%
          HA    THR   23 - HG2   LYS+ 106  21.81 +/- 3.73   0.523% *  0.1648% (0.17   0.02   0.02) =   0.002%
          HA    PHE   45 - HG2   LYS+ 106  13.18 +/- 1.43   1.540% *  0.0333% (0.03   0.02   0.02) =   0.001%
          HA    LEU   80 - HG2   LYS+ 106  19.75 +/- 3.67   0.592% *  0.0809% (0.08   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  19.07 +/- 2.74   0.530% *  0.0724% (0.07   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  22.96 +/- 3.56   0.452% *  0.0538% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.11 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 = 3.39, residual support = 33.2:
      O   HN    SER   82 - HB3   SER   82   2.86 +/- 0.54  99.450% * 99.5254% (0.41  10.0   3.39  33.24) =  99.999%  kept
          HN    SER  117 - HB3   SER   82  25.56 +/- 4.14   0.370% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HB3   SER   82  27.34 +/- 4.31   0.180% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.374, support = 3.31, residual support = 14.7:
      O   HN    TRP   49 - HA    SER   48   3.49 +/- 0.04  32.059% * 84.6248% (0.40  10.0   3.25  14.44) =  83.417%  kept
          HN    VAL   83 - HB2   SER   82   3.17 +/- 0.59  43.616% * 10.2873% (0.24   1.0   4.09  19.04) =  13.796%  kept
          HN    CYS   50 - HA    SER   48   4.73 +/- 1.20  20.006% *  4.5182% (0.36   1.0   1.19   0.02) =   2.779%  kept
          HN    TRP   49 - HB2   SER   82  17.50 +/- 3.54   0.496% *  0.1541% (0.72   1.0   0.02   0.02) =   0.002%
          HN    CYS   50 - HB2   SER   82  18.84 +/- 3.68   0.336% *  0.1385% (0.65   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    VAL   70  10.45 +/- 1.72   1.602% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  14.82 +/- 3.46   0.981% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  20.90 +/- 6.08   0.274% *  0.0688% (0.32   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   70  22.51 +/- 2.89   0.160% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  21.81 +/- 2.71   0.168% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.93 +/- 3.05   0.167% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.34 +/- 2.75   0.135% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.0, residual support = 33.2:
      O   HN    SER   82 - HB2   SER   82   2.62 +/- 0.52  88.370% * 99.0159% (0.39  10.0   4.00  33.24) =  99.989%  kept
          HN    GLY   16 - HA    VAL   70   8.75 +/- 2.69   8.849% *  0.0820% (0.32   1.0   0.02   0.02) =   0.008%
          HN    SER   82 - HA    SER   48  14.85 +/- 3.74   1.297% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  20.47 +/- 2.92   0.396% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB2   SER   82  25.72 +/- 4.39   0.204% *  0.2361% (0.93   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    VAL   70  18.37 +/- 3.26   0.424% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  27.48 +/- 4.36   0.117% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  24.71 +/- 3.83   0.185% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.11 +/- 2.29   0.159% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.436, support = 5.33, residual support = 40.9:
          HN    ALA   84 - HB    VAL   83   3.44 +/- 0.28  97.479% * 98.8127% (0.44   5.33  40.92) =  99.990%  kept
          HE21  GLN   32 - HB    VAL   83  23.16 +/- 7.89   0.823% *  0.6831% (0.80   0.02   0.02) =   0.006%
          HN    LYS+ 111 - HB    VAL   83  21.15 +/- 3.65   0.657% *  0.3708% (0.44   0.02   0.02) =   0.003%
          HN    ILE   56 - HB    VAL   83  20.47 +/- 4.33   1.040% *  0.1334% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 85.6:
      O   HN    VAL   83 - HB    VAL   83   2.28 +/- 0.53  98.916% * 99.8243% (0.65  10.0   4.77  85.64) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  16.58 +/- 3.62   0.481% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  15.56 +/- 3.30   0.603% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.883, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.41 +/- 1.13  55.329% * 31.7530% (0.96   0.02   0.02) =  66.181%  kept
          HD21  ASN   28 - HA    ALA   84  16.15 +/- 6.12  17.207% * 30.7120% (0.93   0.02   0.02) =  19.907%  kept
          QE    PHE   60 - HA    ALA   84  14.36 +/- 3.77  13.935% * 16.7431% (0.51   0.02   0.02) =   8.789%  kept
          HN    ILE   56 - HA    ALA   84  17.82 +/- 3.58   8.276% *  8.8482% (0.27   0.02   0.02) =   2.758%  kept
          HN    LEU   63 - HA    ALA   84  17.23 +/- 1.75   5.254% * 11.9438% (0.36   0.02   0.02) =   2.364%  kept
    Distance limit 3.56 A violated in 19 structures by 3.60 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.258, residual support = 0.468:
          QE    PHE   45 - HA    ALA   84   4.71 +/- 2.31  81.112% * 88.8298% (0.81   0.26   0.48) =  98.426%  kept
          QD    PHE   72 - HA    ALA   84  13.21 +/- 1.65  11.603% *  7.8333% (0.93   0.02   0.02) =   1.242%  kept
          HZ    PHE   72 - HA    ALA   84  15.62 +/- 1.51   7.285% *  3.3369% (0.40   0.02   0.02) =   0.332%  kept
    Distance limit 4.12 A violated in 6 structures by 1.18 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.912, support = 1.47, residual support = 12.7:
          HB    ILE   89 - HA    ALA   84   3.71 +/- 1.94  83.934% * 98.5649% (0.91   1.47  12.73) =  99.874%  kept
          QG1   ILE   56 - HA    ALA   84  15.09 +/- 2.84  14.600% *  0.6342% (0.43   0.02   0.02) =   0.112%  kept
          HB3   LYS+  99 - HA    ALA   84  20.17 +/- 3.63   1.466% *  0.8009% (0.55   0.02   0.02) =   0.014%
    Distance limit 3.90 A violated in 2 structures by 0.60 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.763, support = 3.27, residual support = 28.5:
          QG2   VAL   83 - HA    ALA   84   3.21 +/- 0.57  57.989% * 47.0726% (0.66   3.53  40.92) =  56.046%  kept
          QD1   ILE   89 - HA    ALA   84   4.07 +/- 1.49  40.519% * 52.8305% (0.89   2.95  12.73) =  43.951%  kept
          QD2   LEU   31 - HA    ALA   84  14.10 +/- 4.47   1.492% *  0.0969% (0.24   0.02   0.02) =   0.003%
    Distance limit 3.83 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 = 2.93, residual support = 12.7:
          HG13  ILE   89 - HA    ALA   84   4.51 +/- 2.01 100.000% *100.0000% (0.55   2.93  12.73) = 100.000%  kept
    Distance limit 3.89 A violated in 8 structures by 1.12 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.77, residual support = 28.2:
          QG2   VAL   83 - QB    ALA   84   3.62 +/- 0.60  58.888% * 44.2291% (0.66  1.00   3.90  40.92) =  55.038%  kept
          QD1   ILE   89 - QB    ALA   84   4.45 +/- 1.28  38.686% * 54.9481% (0.89  1.00   3.61  12.73) =  44.920%  kept
        T QD2   LEU   31 - QB    ALA   84  12.93 +/- 3.78   2.426% *  0.8229% (0.24 10.00   0.02   0.02) =   0.042%
    Distance limit 3.90 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.63, residual support = 12.7:
          HG13  ILE   89 - QB    ALA   84   4.63 +/- 1.73 100.000% *100.0000% (0.55   3.63  12.73) = 100.000%  kept
    Distance limit 3.82 A violated in 6 structures by 1.02 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 0.226, residual support = 0.473:
          QD    PHE   45 - QB    ALA   84   5.22 +/- 1.82  80.593% * 96.8623% (0.87   0.23   0.48) =  99.614%  kept
          HE22  GLN  116 - QB    ALA   84  18.50 +/- 4.01  10.865% *  1.4696% (0.15   0.02   0.02) =   0.204%  kept
          HD2   HIS  122 - QB    ALA   84  17.59 +/- 2.52   8.542% *  1.6681% (0.17   0.02   0.02) =   0.182%  kept
    Distance limit 4.05 A violated in 6 structures by 1.30 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.714, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  11.01 +/- 2.42  61.271% * 28.9138% (0.59   0.02   0.02) =  53.152%  kept
          HE22  GLN   30 - QB    ALA   84  16.13 +/- 2.88  28.202% * 46.0056% (0.93   0.02   0.02) =  38.926%  kept
          HD22  ASN   69 - QB    ALA   84  20.86 +/- 1.76  10.528% * 25.0806% (0.51   0.02   0.02) =   7.922%  kept
    Distance limit 4.26 A violated in 19 structures by 6.15 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 = 18.0:
      O   HN    SER   85 - QB    SER   85   2.19 +/- 0.15  95.518% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  13.20 +/- 3.50   1.153% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  21.51 +/- 5.87   0.184% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.53 +/- 1.56   0.661% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.04 +/- 1.13   0.850% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  11.75 +/- 2.08   0.944% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  19.99 +/- 3.26   0.189% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  22.56 +/- 4.57   0.126% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.59 +/- 2.77   0.092% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  23.54 +/- 2.91   0.094% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.95 +/- 2.21   0.083% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.47 +/- 2.62   0.105% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 +/- 0.24  90.697% * 97.6159% (0.87   3.33  13.45) =  99.986%  kept
          HN    GLU-  29 - QB    SER   85  20.20 +/- 5.88   0.584% *  0.6629% (0.98   0.02   0.02) =   0.004%
          HN    GLN   30 - QB    SER   85  20.12 +/- 5.24   0.540% *  0.5416% (0.80   0.02   0.02) =   0.003%
          HN    ASP-  86 - QB    SER   48  14.18 +/- 3.50   1.611% *  0.1431% (0.21   0.02   0.02) =   0.003%
          HN    GLU-  29 - QB    SER   48  21.99 +/- 2.94   0.290% *  0.1616% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER   48  21.32 +/- 2.85   0.320% *  0.1321% (0.20   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  20.08 +/- 2.70   0.461% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  24.56 +/- 3.86   0.340% *  0.1023% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.63 +/- 0.99   2.405% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  22.55 +/- 2.54   0.298% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.06 +/- 3.32   0.305% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.73 +/- 3.04   0.242% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.64 +/- 2.57   0.117% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  18.85 +/- 4.54   0.661% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  20.49 +/- 2.71   0.401% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.71 +/- 3.80   0.196% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  20.27 +/- 2.87   0.393% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.40 +/- 2.97   0.139% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.4:
      O   HN    SER  117 - QB    SER  117   2.13 +/- 0.08  99.312% * 98.5738% (0.12  10.0   2.79  15.40) =  99.998%  kept
          HN    SER  117 - QB    SER   85  20.76 +/- 3.60   0.256% *  0.6389% (0.80   1.0   0.02   0.02) =   0.002%
          HN    GLY   16 - QB    SER   85  25.71 +/- 2.60   0.061% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  19.37 +/- 2.36   0.161% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  23.33 +/- 3.58   0.100% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  22.78 +/- 3.36   0.110% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 18.0:
      O   HN    SER   85 - HA    SER   85   2.82 +/- 0.03  97.794% * 99.8725% (0.99  10.0   3.65  18.03) =  99.999%  kept
          HN    THR   94 - HA    SER   85  12.04 +/- 1.79   1.748% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  23.43 +/- 5.62   0.264% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  24.37 +/- 4.32   0.194% *  0.0176% (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 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   2.82 +/- 0.56  96.652% * 99.6620% (0.95  10.0   3.55  42.53) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  18.58 +/- 6.31   0.961% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  18.83 +/- 6.77   0.958% *  0.0596% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   ASP-  86  17.96 +/- 4.95   0.971% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  22.97 +/- 4.03   0.323% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  28.16 +/- 3.33   0.135% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.03, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.49 +/- 0.36  97.984% * 99.2641% (0.49  10.0   5.03  42.53) =  99.998%  kept
          HN    LYS+  99 - HB2   ASP-  86  17.83 +/- 4.61   0.437% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  18.17 +/- 6.18   0.622% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  22.61 +/- 3.68   0.207% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  18.42 +/- 6.66   0.654% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  27.87 +/- 3.52   0.096% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.426, support = 3.6, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   3.26 +/- 0.31  81.098% * 37.5811% (0.38   3.60  22.69) =  77.918%  kept
          HE3   TRP   87 - HB2   ASP-  86   6.15 +/- 1.00  14.207% * 60.6282% (0.61   3.59  22.69) =  22.021%  kept
          HN    ALA   91 - HB2   ASP-  86  11.18 +/- 0.82   2.412% *  0.5262% (0.95   0.02   0.02) =   0.032%
          HN    TRP   27 - HB2   ASP-  86  16.27 +/- 5.98   1.408% *  0.5368% (0.97   0.02   0.02) =   0.019%
          HN    ALA   61 - HB2   ASP-  86  19.59 +/- 2.49   0.552% *  0.4989% (0.90   0.02   0.02) =   0.007%
          HN    THR   39 - HB2   ASP-  86  22.78 +/- 4.56   0.323% *  0.2287% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.03 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   2.55 +/- 0.56  89.825% * 95.5161% (0.22 10.00   2.25  10.78) =  99.782%  kept
          HB3   SER   82 - HB2   ASP-  86   6.65 +/- 0.80   6.048% *  2.9436% (0.41  1.00   0.33   0.02) =   0.207%  kept
          HD3   PRO   52 - HB2   ASP-  86  20.32 +/- 4.77   0.701% *  0.3960% (0.92  1.00   0.02   0.02) =   0.003%
          HB2   CYS   53 - HB2   ASP-  86  19.05 +/- 3.85   0.634% *  0.3848% (0.90  1.00   0.02   0.02) =   0.003%
          HD2   PRO   58 - HB2   ASP-  86  22.67 +/- 4.73   1.716% *  0.1193% (0.28  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HB2   ASP-  86  19.78 +/- 5.66   0.448% *  0.4140% (0.97  1.00   0.02   0.02) =   0.002%
          HA    GLU- 100 - HB2   ASP-  86  20.65 +/- 4.64   0.289% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  22.40 +/- 4.07   0.207% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  26.38 +/- 3.55   0.131% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.16, residual support = 42.5:
      O   HN    ASP-  86 - HA    ASP-  86   2.74 +/- 0.03  98.368% * 99.2641% (0.49  10.0   4.16  42.53) =  99.998%  kept
          HN    LYS+  99 - HA    ASP-  86  18.86 +/- 4.57   0.443% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  20.16 +/- 6.01   0.442% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASP-  86  24.16 +/- 3.49   0.172% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  30.07 +/- 3.29   0.083% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  20.29 +/- 6.66   0.492% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.54, residual support = 70.6:
          HE3   TRP   87 - HA    TRP   87   3.46 +/- 0.27  91.219% * 98.5726% (0.99   3.54  70.62) =  99.958%  kept
          HN    ALA   91 - HA    TRP   87   9.61 +/- 0.91   5.525% *  0.4876% (0.87   0.02   0.02) =   0.030%
          HN    TRP   27 - HA    TRP   87  17.46 +/- 4.56   2.051% *  0.2958% (0.53   0.02   5.61) =   0.007%
          HN    ALA   61 - HA    TRP   87  18.52 +/- 2.27   0.866% *  0.5189% (0.92   0.02   0.02) =   0.005%
          HN    GLN   17 - HA    TRP   87  23.66 +/- 2.78   0.338% *  0.1252% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB2   TRP   87   2.48 +/- 0.28  96.046% * 99.7445% (0.99  10.0   3.23  70.62) =  99.997%  kept
          HN    ALA   91 - HB2   TRP   87   9.13 +/- 1.26   2.641% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  16.62 +/- 2.36   0.471% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  16.70 +/- 4.21   0.682% *  0.0529% (0.53   1.0   0.02   5.61) =   0.000%
          HN    GLN   17 - HB2   TRP   87  22.10 +/- 2.91   0.160% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB3   TRP   87   3.88 +/- 0.36  80.816% * 99.7445% (0.99  10.0   3.23  70.62) =  99.980%  kept
          HN    ALA   91 - HB3   TRP   87   7.88 +/- 1.17  15.122% *  0.0873% (0.87   1.0   0.02   0.02) =   0.016%
          HN    ALA   61 - HB3   TRP   87  16.31 +/- 2.30   1.703% *  0.0929% (0.92   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  16.76 +/- 4.09   1.851% *  0.0529% (0.53   1.0   0.02   5.61) =   0.001%
          HN    GLN   17 - HB3   TRP   87  22.32 +/- 2.80   0.509% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.63 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 2.22, residual support = 17.7:
          QD1   ILE   89 - HB2   TRP   87   3.78 +/- 0.81  68.356% * 60.4447% (0.90   2.43  17.85) =  79.217%  kept
          QG2   VAL   83 - HB2   TRP   87   5.72 +/- 0.66  27.645% * 39.1523% (1.00   1.41  17.03) =  20.752%  kept
          QD2   LEU   31 - HB2   TRP   87  12.70 +/- 4.02   3.999% *  0.4029% (0.73   0.02   1.75) =   0.031%
    Distance limit 3.87 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.445, support = 3.9, residual support = 17.8:
        T QD1   ILE   89 - HB3   TRP   87   2.87 +/- 0.81  67.255% * 95.3793% (0.45 10.00   3.93  17.85) =  98.318%  kept
          QG2   VAL   83 - HB3   TRP   87   4.93 +/- 0.66  24.149% *  4.5243% (0.22  1.00   1.91  17.03) =   1.675%  kept
          QG2   VAL   75 - HB3   TRP   87   7.60 +/- 1.76   6.501% *  0.0592% (0.28  1.00   0.02   0.02) =   0.006%
          QG2   VAL   42 - HB3   TRP   87  10.80 +/- 1.70   2.096% *  0.0373% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.239, support = 0.724, residual support = 17.2:
          HG12  ILE   89 - HB3   TRP   87   3.62 +/- 1.03  66.259% * 54.8868% (0.22   0.75  17.85) =  96.401%  kept
          QB    ALA   91 - HB3   TRP   87   8.50 +/- 1.16   9.421% *  5.7027% (0.87   0.02   0.02) =   1.424%  kept
          QG2   ILE   56 - HB3   TRP   87  14.84 +/- 3.68  15.361% *  2.7027% (0.41   0.02   0.02) =   1.101%  kept
          HG2   LYS+  74 - HB3   TRP   87  14.31 +/- 2.24   3.229% *  5.8960% (0.90   0.02   0.02) =   0.505%  kept
          QG2   THR   39 - HB3   TRP   87  16.96 +/- 2.78   0.797% *  5.7027% (0.87   0.02   0.02) =   0.120%  kept
          HG13  ILE   19 - HB3   TRP   87  19.36 +/- 2.88   0.689% *  6.5596% (1.00   0.02   0.02) =   0.120%  kept
          HG3   LYS+  99 - HB3   TRP   87  18.88 +/- 3.50   0.673% *  6.0688% (0.92   0.02   0.02) =   0.108%  kept
          HG    LEU   71 - HB3   TRP   87  19.89 +/- 2.55   0.635% *  5.7027% (0.87   0.02   0.02) =   0.096%
          QB    ALA   34 - HB3   TRP   87  15.56 +/- 3.18   1.153% *  1.6393% (0.25   0.02   0.02) =   0.050%
          HG3   LYS+ 111 - HB3   TRP   87  17.38 +/- 3.15   1.502% *  1.1513% (0.18   0.02   0.02) =   0.046%
          HG3   LYS+  38 - HB3   TRP   87  23.86 +/- 4.04   0.282% *  3.9875% (0.61   0.02   0.02) =   0.030%
    Distance limit 3.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.1:
      O   HN    ALA   88 - HA    ALA   88   2.27 +/- 0.13  98.820% * 99.0353% (0.38  10.0   1.63  12.10) =  99.997%  kept
          HN    PHE   55 - HA    ALA   88  20.85 +/- 3.73   0.358% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    ALA   88  20.07 +/- 3.76   0.483% *  0.1449% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    ALA   88  20.65 +/- 2.71   0.181% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  21.27 +/- 4.34   0.157% *  0.2804% (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 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.08, residual support = 12.1:
      O   HN    ALA   88 - QB    ALA   88   2.89 +/- 0.20  92.537% * 99.2112% (0.38  10.0   2.08  12.10) =  99.986%  kept
          HN    PHE   55 - QB    ALA   88  17.14 +/- 3.37   2.345% *  0.2293% (0.87   1.0   0.02   0.02) =   0.006%
          HN    ARG+  54 - QB    ALA   88  16.67 +/- 3.41   3.845% *  0.1185% (0.45   1.0   0.02   0.02) =   0.005%
          HN    ASP-  62 - QB    ALA   88  16.96 +/- 2.63   0.718% *  0.2117% (0.80   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA   88  17.65 +/- 3.46   0.555% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 216.5:
          QD1   ILE   89 - HA    ILE   89   3.13 +/- 0.74  87.931% * 99.6619% (0.92   5.98 216.60) =  99.969%  kept
          QG2   VAL   83 - HA    ILE   89   7.30 +/- 0.84  10.581% *  0.2481% (0.69   0.02   0.02) =   0.030%
          QD2   LEU   31 - HA    ILE   89  15.43 +/- 3.19   1.487% *  0.0901% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.20 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.36, residual support = 40.1:
      O   HN    GLN   90 - HA    ILE   89   2.47 +/- 0.37  95.424% * 99.8365% (0.99  10.0   6.36  40.05) =  99.998%  kept
          HN    GLY  109 - HA    ILE   89   9.72 +/- 3.25   3.000% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    ILE   89  11.40 +/- 0.76   1.166% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  16.25 +/- 3.37   0.409% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 216.6:
      O   HN    ILE   89 - HA    ILE   89   2.71 +/- 0.19  98.804% * 99.6601% (0.76  10.0   6.00 216.60) =  99.999%  kept
          HN    ILE  119 - HA    ILE   89  16.86 +/- 2.05   0.468% *  0.1234% (0.95   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    ILE   89  18.03 +/- 2.80   0.426% *  0.1170% (0.90   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ILE   89  25.56 +/- 1.89   0.126% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  23.51 +/- 2.77   0.177% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.921, support = 2.42, residual support = 8.15:
          HN    ALA   91 - HA    ILE   89   3.70 +/- 0.42  71.602% * 78.2984% (0.95   2.49   7.68) =  95.340%  kept
          HD1   TRP   87 - HA    ILE   89   6.43 +/- 0.85  15.835% * 14.2635% (0.38   1.14  17.85) =   3.841%  kept
          HE3   TRP   87 - HA    ILE   89   8.15 +/- 0.67   7.650% *  5.9243% (0.61   0.29  17.85) =   0.771%  kept
          HN    ALA   61 - HA    ILE   89  16.20 +/- 2.48   3.996% *  0.5973% (0.90   0.02   0.02) =   0.041%
          HN    TRP   27 - HA    ILE   89  19.49 +/- 3.50   0.603% *  0.6428% (0.97   0.02   0.02) =   0.007%
          HN    THR   39 - HA    ILE   89  23.50 +/- 1.73   0.314% *  0.2738% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.729, support = 5.22, residual support = 212.5:
      O T QD1   ILE   89 - HB    ILE   89   2.62 +/- 0.39  60.076% * 90.8495% (0.74  10.0 10.00   5.31 216.60) =  98.119%  kept
        T QD1   ILE   89 - HB    VAL   43   5.53 +/- 1.64  14.482% *  5.2636% (0.16   1.0 10.00   0.53   0.02) =   1.370%  kept
          QG2   VAL   83 - HB    ILE   89   5.51 +/- 1.03  10.514% *  1.8379% (0.55   1.0  1.00   0.54   0.02) =   0.347%  kept
        T QD2   LEU   31 - HB    VAL   43   8.71 +/- 2.93   4.430% *  2.0097% (0.04   1.0 10.00   0.75   0.02) =   0.160%  kept
          QG2   VAL   83 - HB    VAL   43   8.12 +/- 3.06   9.867% *  0.0148% (0.12   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HB    ILE   89  14.32 +/- 3.56   0.632% *  0.0245% (0.20   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 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 216.6:
      O T HG13  ILE   89 - HB    ILE   89   2.55 +/- 0.31  94.495% * 99.7821% (0.78  10.0 10.00   4.97 216.60) =  99.987%  kept
        T HG13  ILE   89 - HB    VAL   43   7.90 +/- 1.85   5.505% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.013%
    Distance limit 3.30 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 = 5.57, residual support = 216.6:
      O   HN    ILE   89 - HB    ILE   89   2.70 +/- 0.61  90.274% * 99.5645% (0.61  10.0   5.57 216.60) =  99.996%  kept
          HN    ILE   89 - HB    VAL   43   9.70 +/- 2.18   3.834% *  0.0217% (0.13   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    ILE   89  16.33 +/- 3.15   0.596% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    ILE   89  17.31 +/- 1.80   0.516% *  0.1232% (0.76   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    VAL   43  11.41 +/- 3.43   2.020% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    VAL   43  14.78 +/- 1.95   0.987% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  24.67 +/- 2.41   0.163% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  17.04 +/- 1.39   0.514% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  22.26 +/- 3.38   0.243% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  15.17 +/- 2.47   0.854% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 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   9.16 +/- 2.01 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 5.58 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 1.03, residual support = 17.8:
          HD1   TRP   87 - QG2   ILE   89   4.45 +/- 0.23  91.919% * 94.1865% (0.95   1.03  17.85) =  99.884%  kept
          HN    LYS+ 102 - QG2   ILE   89  16.32 +/- 2.51   2.427% *  1.5461% (0.80   0.02   0.02) =   0.043%
          HN    THR   39 - QG2   ILE   89  19.16 +/- 1.90   1.279% *  1.7824% (0.92   0.02   0.02) =   0.026%
          HN    TRP   27 - QG2   ILE   89  15.22 +/- 3.30   3.389% *  0.6586% (0.34   0.02   0.02) =   0.026%
          HN    GLU-  36 - QG2   ILE   89  21.18 +/- 2.57   0.987% *  1.8265% (0.95   0.02   0.02) =   0.021%
    Distance limit 3.63 A violated in 0 structures by 0.82 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.22, residual support = 40.0:
          HN    GLN   90 - QG2   ILE   89   2.81 +/- 0.66  91.212% * 99.1862% (0.61   7.22  40.05) =  99.969%  kept
          HN    SER   82 - QG2   ILE   89   8.17 +/- 1.08   5.700% *  0.4180% (0.92   0.02   0.02) =   0.026%
          HN    ILE  103 - QG2   ILE   89  13.70 +/- 2.80   1.351% *  0.1862% (0.41   0.02   0.02) =   0.003%
          HN    SER  117 - QG2   ILE   89  13.35 +/- 1.88   1.351% *  0.0699% (0.15   0.02   0.02) =   0.001%
          HN    GLY   16 - QG2   ILE   89  20.01 +/- 2.44   0.387% *  0.1398% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 15.0:
        T HB2   PHE   45 - QG2   ILE   89   4.08 +/- 1.12  86.480% * 99.5807% (0.97 10.00   0.75  15.03) =  99.963%  kept
          QE    LYS+ 111 - QG2   ILE   89  11.73 +/- 1.92   9.615% *  0.2745% (1.00  1.00   0.02   0.02) =   0.031%
          HB2   CYS   21 - QG2   ILE   89  13.71 +/- 2.91   3.905% *  0.1448% (0.53  1.00   0.02   0.02) =   0.007%
    Distance limit 4.04 A violated in 3 structures by 0.45 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.194, support = 5.31, residual support = 36.5:
          QG    GLN   90 - QG2   ILE   89   4.24 +/- 0.61  51.928% * 67.4768% (0.15   5.79  40.05) =  91.164%  kept
          HG2   MET   92 - QG2   ILE   89   7.24 +/- 1.50  18.143% * 12.9725% (0.73   0.24   0.02) =   6.123%  kept
          HB2   ASP-  44 - QG2   ILE   89   8.77 +/- 1.08   6.333% * 13.7806% (0.28   0.66   0.02) =   2.271%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.29 +/- 1.54   8.429% *  0.8552% (0.57   0.02   0.02) =   0.188%  kept
          QG    GLU- 114 - QG2   ILE   89  10.36 +/- 1.86   6.220% *  0.9772% (0.65   0.02   0.02) =   0.158%  kept
          HG2   PRO   52 - QG2   ILE   89  10.61 +/- 2.59   5.159% *  0.3363% (0.22   0.02   0.02) =   0.045%
          HB3   PHE   72 - QG2   ILE   89  12.81 +/- 1.32   1.928% *  0.2990% (0.20   0.02   0.02) =   0.015%
          QB    MET   11 - QG2   ILE   89  24.22 +/- 4.21   0.378% *  1.2618% (0.84   0.02   0.02) =   0.012%
          HG3   GLU-  36 - QG2   ILE   89  23.23 +/- 2.52   0.334% *  1.0969% (0.73   0.02   0.02) =   0.010%
          QG    GLU-  15 - QG2   ILE   89  19.54 +/- 2.08   0.548% *  0.5670% (0.38   0.02   0.02) =   0.008%
          QG    GLU-  14 - QG2   ILE   89  20.34 +/- 2.85   0.600% *  0.3767% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.67 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.494, support = 1.19, residual support = 14.8:
        T HB3   PHE   45 - QG2   ILE   89   4.03 +/- 1.23  50.387% * 94.5866% (0.49 10.00   1.21  15.03) =  98.418%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.08 +/- 0.96  16.145% *  4.4827% (1.00  1.00   0.28   0.02) =   1.495%  kept
          QE    LYS+ 112 - QG2   ILE   89  10.42 +/- 2.91  12.340% *  0.1569% (0.49  1.00   0.02   0.02) =   0.040%
          HG3   MET   96 - QG2   ILE   89   8.21 +/- 2.37  10.495% *  0.1100% (0.34  1.00   0.02   5.45) =   0.024%
          HB3   ASP-  62 - QG2   ILE   89  13.17 +/- 2.53   2.268% *  0.2464% (0.76  1.00   0.02   0.02) =   0.012%
          HB    VAL  107 - QG2   ILE   89   8.62 +/- 1.68   7.492% *  0.0497% (0.15  1.00   0.02   0.02) =   0.008%
          HG2   GLU-  29 - QG2   ILE   89  19.66 +/- 3.33   0.588% *  0.3111% (0.97  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  36 - QG2   ILE   89  23.30 +/- 2.55   0.285% *  0.0565% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 1 structures by 0.30 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.419, support = 3.23, residual support = 10.3:
          QB    ALA   84 - QG2   ILE   89   3.27 +/- 1.44  47.619% * 24.9640% (0.49   1.89  12.73) =  48.830%  kept
          QB    ALA   88 - QG2   ILE   89   4.98 +/- 0.48  23.604% * 43.9453% (0.31   5.24   9.52) =  42.608%  kept
          HB3   PRO   93 - QG2   ILE   89   6.77 +/- 1.19  11.515% * 12.0217% (0.45   0.99   0.02) =   5.686%  kept
          HB3   ASP-  44 - QG2   ILE   89   8.37 +/- 1.15   4.110% * 15.4630% (0.87   0.66   0.02) =   2.611%  kept
          HB3   LEU   80 - QG2   ILE   89   7.37 +/- 1.38   6.280% *  0.5385% (0.99   0.02   0.02) =   0.139%  kept
          HG2   LYS+ 111 - QG2   ILE   89  12.64 +/- 2.35   1.453% *  0.5243% (0.97   0.02   0.02) =   0.031%
          HB2   LEU   63 - QG2   ILE   89  12.48 +/- 1.60   1.461% *  0.5140% (0.95   0.02   0.02) =   0.031%
          HG    LEU   98 - QG2   ILE   89  11.72 +/- 2.86   1.973% *  0.3295% (0.61   0.02   0.02) =   0.027%
          HB2   LEU   31 - QG2   ILE   89  16.50 +/- 3.92   0.828% *  0.5385% (0.99   0.02   0.02) =   0.018%
          HG2   LYS+  99 - QG2   ILE   89  17.51 +/- 2.24   0.534% *  0.4152% (0.76   0.02   0.02) =   0.009%
          QB    ALA  124 - QG2   ILE   89  18.62 +/- 1.90   0.348% *  0.3945% (0.73   0.02   0.02) =   0.006%
          HG2   LYS+  38 - QG2   ILE   89  21.17 +/- 2.24   0.275% *  0.3515% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.45 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.86, residual support = 216.6:
      O T HG13  ILE   89 - QG2   ILE   89   2.71 +/- 0.37 100.000% *100.0000% (0.98  10.0 10.00   5.86 216.60) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 6.36, residual support = 212.1:
        T QD1   ILE   89 - QG2   ILE   89   2.15 +/- 0.57  86.307% * 87.5150% (0.92 10.00   6.49 216.60) =  97.908%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.73 +/- 0.63  12.949% * 12.4613% (0.69 10.00   0.38   0.02) =   2.092%  kept
          QD2   LEU   31 - QG2   ILE   89  12.28 +/- 3.09   0.745% *  0.0236% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.58, residual support = 216.6:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  89.633% * 99.4549% (0.92  10.0 10.00   5.58 216.60) =  99.993%  kept
          QG2   VAL   83 - HG12  ILE   89   6.17 +/- 1.29   5.855% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.005%
        T QD1   ILE   89 - HG3   LYS+  99  15.17 +/- 2.26   0.329% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG3   LYS+  99  11.17 +/- 3.07   3.419% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  13.92 +/- 3.27   0.505% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  17.48 +/- 3.15   0.258% *  0.0300% (0.28   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 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.15, residual support = 216.6:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.859% * 99.5961% (0.98  10.0 10.00   5.15 216.60) =  99.999%  kept
        T HG13  ILE   89 - HG3   LYS+  99  19.30 +/- 3.08   0.141% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.89 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 = 215.4:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  91.294% * 94.2513% (0.90  10.0 10.00   5.27 216.60) =  99.464%  kept
          QG2   VAL   83 - HG13  ILE   89   6.01 +/- 1.55   8.160% *  5.6724% (1.00   1.0  1.00   1.08   0.02) =   0.535%  kept
          QD2   LEU   31 - HG13  ILE   89  13.79 +/- 3.27   0.546% *  0.0763% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.86, residual support = 216.6:
      O T QG2   ILE   89 - HG13  ILE   89   2.71 +/- 0.37  90.309% * 99.9734% (0.84  10.0 10.00   5.86 216.60) =  99.997%  kept
          QG1   VAL   83 - HG13  ILE   89   7.74 +/- 1.84   9.691% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.57 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 = 0.486, support = 4.97, residual support = 216.5:
      O T HB    ILE   89 - HG13  ILE   89   2.55 +/- 0.31  91.793% * 98.8208% (0.49  10.0 10.00   4.97 216.60) =  99.939%  kept
        T HB    VAL   43 - HG13  ILE   89   7.90 +/- 1.85   5.347% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.058%
          QD    LYS+  81 - HG13  ILE   89  10.66 +/- 2.12   2.055% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HG13  ILE   89  17.52 +/- 2.82   0.430% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  17.84 +/- 2.84   0.374% *  0.0313% (0.15   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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 216.6:
          HN    ILE   89 - HG13  ILE   89   3.55 +/- 0.67  95.422% * 98.7803% (0.76   5.53 216.60) =  99.982%  kept
          HN    ILE  119 - HG13  ILE   89  16.32 +/- 2.28   2.034% *  0.4426% (0.95   0.02   0.02) =   0.010%
          HN    CYS   21 - HG13  ILE   89  15.83 +/- 2.98   1.601% *  0.4196% (0.90   0.02   0.02) =   0.007%
          HN    SER   37 - HG13  ILE   89  23.82 +/- 1.93   0.381% *  0.2649% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  21.57 +/- 2.85   0.562% *  0.0926% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.76, residual support = 216.6:
          HN    ILE   89 - HG12  ILE   89   2.83 +/- 0.74  86.124% * 98.2272% (0.76   5.76 216.60) =  99.980%  kept
          HN    SER   37 - HG3   LYS+  99  12.32 +/- 5.47   4.431% *  0.1024% (0.23   0.02   0.02) =   0.005%
          HN    CYS   21 - HG12  ILE   89  16.22 +/- 3.02   0.979% *  0.4001% (0.90   0.02   0.02) =   0.005%
          HN    ILE  119 - HG12  ILE   89  16.59 +/- 2.21   0.880% *  0.4220% (0.95   0.02   0.02) =   0.004%
          HN    LYS+  33 - HG3   LYS+  99  14.28 +/- 4.13   5.577% *  0.0358% (0.08   0.02   0.02) =   0.002%
          HN    CYS   21 - HG3   LYS+  99  18.34 +/- 2.44   0.573% *  0.1623% (0.36   0.02   0.02) =   0.001%
          HN    ILE  119 - HG3   LYS+  99  18.57 +/- 3.76   0.506% *  0.1711% (0.38   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  20.47 +/- 3.39   0.458% *  0.1383% (0.31   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  23.97 +/- 2.07   0.202% *  0.2526% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG12  ILE   89  21.70 +/- 2.89   0.270% *  0.0883% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 216.6:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 216.60) = 100.000%  kept
    Distance limit 2.61 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 = 0.832, support = 6.46, residual support = 215.6:
        T QG2   ILE   89 - QD1   ILE   89   2.15 +/- 0.57  90.494% * 95.7958% (0.84 10.00   6.49 216.60) =  99.541%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.28 +/- 1.42   9.506% *  4.2042% (0.22 10.00   0.33   0.02) =   0.459%  kept
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.58, residual support = 216.6:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  95.389% * 99.2664% (1.00  10.0 10.00   5.58 216.60) =  99.996%  kept
        T HG3   LYS+  99 - QD1   ILE   89  15.17 +/- 2.26   0.351% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QD1   ILE   89  13.20 +/- 2.18   0.560% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  10.66 +/- 1.68   1.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   ILE   89  12.78 +/- 3.62   1.615% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  15.43 +/- 2.25   0.356% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  15.01 +/- 2.06   0.377% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  15.24 +/- 2.58   0.351% *  0.0277% (0.28   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 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.02, residual support = 203.2:
      O T HB    ILE   89 - QD1   ILE   89   2.62 +/- 0.39  76.873% * 78.9117% (0.49  10.0 10.00   5.31 216.60) =  93.808%  kept
        T HB    VAL   43 - QD1   ILE   89   5.53 +/- 1.64  19.115% * 20.9357% (0.49   1.0 10.00   0.53   0.02) =   6.188%  kept
          QD    LYS+  81 - QD1   ILE   89   9.62 +/- 1.56   2.605% *  0.0666% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QD1   ILE   89  13.70 +/- 2.08   0.748% *  0.0608% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  14.03 +/- 2.18   0.659% *  0.0250% (0.15   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 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.44:
        T HB3   MET   96 - QD1   ILE   89   4.93 +/- 2.36  64.045% * 97.2748% (0.53 10.00   1.50   5.45) =  99.773%  kept
          HB2   LEU   40 - QD1   ILE   89  14.48 +/- 1.60   3.960% *  2.2162% (0.90  1.00   0.20   0.02) =   0.141%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.85 +/- 3.18  16.742% *  0.2138% (0.87  1.00   0.02   0.02) =   0.057%
          HB    VAL   18 - QD1   ILE   89  13.94 +/- 3.02   8.376% *  0.1495% (0.61  1.00   0.02   0.02) =   0.020%
          HB2   LEU   67 - QD1   ILE   89  13.69 +/- 1.49   5.030% *  0.0841% (0.34  1.00   0.02   0.02) =   0.007%
          HB3   GLU-  14 - QD1   ILE   89  20.70 +/- 2.65   1.848% *  0.0615% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 9 structures by 1.71 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.761, support = 3.92, residual support = 17.8:
        T HB3   TRP   87 - QD1   ILE   89   2.87 +/- 0.81  75.448% * 98.3551% (0.76 10.00   3.93  17.85) =  99.541%  kept
          HG3   MET   96 - QD1   ILE   89   6.21 +/- 2.47  22.665% *  1.5016% (0.14  1.00   1.72   5.45) =   0.457%  kept
          HG3   GLN  116 - QD1   ILE   89  14.19 +/- 2.65   1.633% *  0.1075% (0.84  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  36 - QD1   ILE   89  21.33 +/- 2.10   0.255% *  0.0358% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.484, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  10.83 +/- 2.00  51.136% * 62.4025% (0.57   0.02   0.02) =  63.463%  kept
          HB    THR  118 - QD1   ILE   89  11.16 +/- 1.80  48.864% * 37.5975% (0.34   0.02   0.02) =  36.537%  kept
    Distance limit 2.97 A violated in 20 structures by 6.43 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.23, residual support = 15.0:
          QD    PHE   45 - QD1   ILE   89   2.81 +/- 0.82  96.865% * 96.9097% (0.45   3.23  15.03) =  99.961%  kept
          HD2   HIS  122 - QD1   ILE   89  13.73 +/- 1.81   1.520% *  1.3246% (0.99   0.02   0.02) =   0.021%
          HE22  GLN  116 - QD1   ILE   89  15.48 +/- 2.78   1.108% *  1.3099% (0.98   0.02   0.02) =   0.015%
          HE22  GLN   17 - QD1   ILE   89  19.27 +/- 3.11   0.507% *  0.4559% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.862, support = 2.35, residual support = 17.8:
          HN    TRP   87 - QD1   ILE   89   4.60 +/- 1.02  56.345% * 79.4167% (0.97   2.41  17.85) =  85.006%  kept
          HE3   TRP   87 - QD1   ILE   89   5.24 +/- 0.69  40.895% * 19.2559% (0.28   2.03  17.85) =  14.960%  kept
          HD21  ASN   69 - QD1   ILE   89  16.82 +/- 2.06   1.497% *  0.6452% (0.95   0.02   0.02) =   0.018%
          HN    GLN   17 - QD1   ILE   89  17.60 +/- 2.41   1.263% *  0.6821% (1.00   0.02   0.02) =   0.016%
    Distance limit 3.95 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 216.5:
          HN    ILE   89 - QD1   ILE   89   3.08 +/- 0.83  93.396% * 98.8560% (0.76   5.90 216.60) =  99.976%  kept
          HN    CYS   21 - QD1   ILE   89  12.45 +/- 2.50   2.913% *  0.3936% (0.90   0.02   0.02) =   0.012%
          HN    ILE  119 - QD1   ILE   89  12.99 +/- 1.56   1.974% *  0.4151% (0.95   0.02   0.02) =   0.009%
          HN    SER   37 - QD1   ILE   89  18.81 +/- 1.82   0.693% *  0.2484% (0.57   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE   89  17.02 +/- 2.46   1.024% *  0.0868% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.68, residual support = 89.2:
          HN    GLN   90 - QG    GLN   90   3.23 +/- 0.85  94.443% * 97.8021% (0.69   5.68  89.31) =  99.909%  kept
          HN    GLY  109 - QG    GLN   90  10.01 +/- 3.12   4.487% *  1.7821% (0.69   0.10   0.02) =   0.086%
          HN    ILE  103 - QG    GLN   90  17.18 +/- 3.25   1.070% *  0.4158% (0.83   0.02   0.02) =   0.005%
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 89.3:
      O   HN    GLN   90 - HB3   GLN   90   3.34 +/- 0.39  90.171% * 99.8365% (0.83  10.0   5.59  89.31) =  99.996%  kept
          HN    SER   82 - HB3   GLN   90  11.37 +/- 2.52   4.301% *  0.0452% (0.37   1.0   0.02   0.02) =   0.002%
          HN    GLY  109 - HB3   GLN   90  10.89 +/- 3.29   4.842% *  0.0280% (0.23   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB3   GLN   90  19.18 +/- 3.32   0.685% *  0.0903% (0.75   1.0   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.162, support = 4.01, residual support = 55.9:
      O   HN    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.55  82.263% * 93.4341% (0.16  10.0   4.02  56.01) =  99.769%  kept
          HN    THR   94 - HB2   GLN   90   9.97 +/- 0.70   2.619% *  5.2939% (0.55   1.0   0.33   0.02) =   0.180%  kept
          HN    SER   85 - HB2   GLN   90   8.09 +/- 2.14   6.223% *  0.3549% (0.61   1.0   0.02   0.02) =   0.029%
          HN    SER   85 - HB3   GLU-  79  10.35 +/- 1.00   2.570% *  0.2568% (0.44   1.0   0.02   0.02) =   0.009%
          HN    THR   94 - HB3   GLU-  79  12.66 +/- 2.13   2.731% *  0.2308% (0.40   1.0   0.02   0.02) =   0.008%
          HN    GLU-  79 - HB2   GLN   90  13.01 +/- 3.36   2.926% *  0.1291% (0.22   1.0   0.02   0.02) =   0.005%
          HN    GLN   32 - HB3   GLU-  79  19.61 +/- 4.73   0.522% *  0.1261% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  25.89 +/- 3.89   0.147% *  0.1743% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.567, support = 4.34, residual support = 55.9:
      O T HA    GLU-  79 - HB3   GLU-  79   2.69 +/- 0.22  66.967% * 94.7549% (0.57  10.0 10.00   4.35  56.01) =  99.799%  kept
          HB    THR   77 - HB3   GLU-  79   7.62 +/- 0.85   3.337% *  2.5647% (0.46   1.0  1.00   0.66   0.02) =   0.135%  kept
          HB    THR   77 - HB2   GLN   90   9.79 +/- 4.39  15.523% *  0.1070% (0.64   1.0  1.00   0.02   0.02) =   0.026%
        T HA    GLU-  79 - HB2   GLN   90  14.25 +/- 3.45   1.022% *  1.3093% (0.78   1.0 10.00   0.02   0.02) =   0.021%
          HA    SER   85 - HB2   GLN   90   6.89 +/- 1.96   7.084% *  0.1070% (0.64   1.0  1.00   0.02   0.02) =   0.012%
          HA    ALA   57 - HB3   GLU-  79  16.66 +/- 5.84   1.242% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.00 +/- 1.79   0.945% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  13.35 +/- 1.44   0.652% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  12.61 +/- 1.11   0.805% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  18.05 +/- 4.08   0.650% *  0.0839% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  17.19 +/- 4.11   0.443% *  0.1159% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLN   90  19.14 +/- 3.11   0.295% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  19.46 +/- 3.62   0.319% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.99 +/- 4.68   0.320% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.63 +/- 2.32   0.136% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.77 +/- 2.36   0.077% *  0.1264% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.05 +/- 5.30   0.144% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.95 +/- 5.52   0.038% *  0.0918% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.621, support = 0.818, residual support = 0.779:
          QB    ALA   88 - QG    GLN   90   5.28 +/- 0.90  58.065% * 93.6540% (0.62   0.84   0.80) =  97.768%  kept
          QG2   THR   77 - QG    GLN   90   7.37 +/- 2.88  37.242% *  3.1965% (0.88   0.02   0.02) =   2.140%  kept
          QG2   THR   23 - QG    GLN   90  16.95 +/- 3.78   2.645% *  1.2239% (0.34   0.02   0.02) =   0.058%
          HG2   LYS+  99 - QG    GLN   90  21.83 +/- 2.70   1.454% *  0.8132% (0.22   0.02   0.02) =   0.021%
          HG2   LYS+  38 - QG    GLN   90  25.84 +/- 2.24   0.594% *  1.1124% (0.31   0.02   0.02) =   0.012%
    Distance limit 3.52 A violated in 7 structures by 1.23 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.666, support = 0.02, residual support = 0.02:
          HB3   LYS+ 111 - QG    GLN   90  14.12 +/- 3.75  14.297% * 17.3580% (0.90   0.02   0.02) =  32.405%  kept
          QG    LYS+  81 - QG    GLN   90   7.88 +/- 2.80  36.685% *  3.4351% (0.18   0.02   0.02) =  16.455%  kept
          HB3   LYS+ 121 - QG    GLN   90  19.25 +/- 3.24   5.268% * 17.0143% (0.88   0.02   0.02) =  11.703%  kept
          HD3   LYS+  74 - QG    GLN   90  16.14 +/- 3.46   4.951% * 17.3194% (0.89   0.02   0.02) =  11.198%  kept
          HG    LEU  104 - QG    GLN   90  18.55 +/- 2.75   4.746% * 17.0143% (0.88   0.02   0.02) =  10.544%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.04 +/- 3.31  16.638% *  2.6782% (0.14   0.02   0.02) =   5.819%  kept
          QD    LYS+  66 - QG    GLN   90  19.17 +/- 3.41   4.037% *  9.8273% (0.51   0.02   0.02) =   5.180%  kept
          HG2   LYS+  65 - QG    GLN   90  18.09 +/- 4.86   8.125% *  3.0399% (0.16   0.02   0.02) =   3.225%  kept
          HD2   LYS+ 121 - QG    GLN   90  19.14 +/- 2.74   3.885% *  3.8645% (0.20   0.02   0.02) =   1.960%  kept
          HG2   LYS+  33 - QG    GLN   90  23.61 +/- 3.07   1.370% *  8.4490% (0.44   0.02   0.02) =   1.511%  kept
    Distance limit 3.76 A violated in 16 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.727, support = 2.94, residual support = 61.0:
      O   HG3   MET   92 - HB2   MET   92   2.64 +/- 0.30  92.535% * 80.0236% (0.73  10.0  1.00   2.96  61.49) =  99.189%  kept
        T QG    GLN   90 - HB2   MET   92   8.52 +/- 1.03   3.338% * 17.9681% (0.80   1.0 10.00   0.41   0.02) =   0.804%  kept
        T HB2   ASP- 105 - HB2   MET   92  16.89 +/- 1.57   0.424% *  0.3759% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  26.97 +/- 3.98   0.135% *  0.7129% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB2   MET   92  15.35 +/- 2.61   0.791% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   MET   92  12.40 +/- 1.26   1.081% *  0.0668% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   MET   92  26.28 +/- 3.10   0.109% *  0.5364% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  18.34 +/- 2.62   0.385% *  0.0800% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.59 +/- 4.06   0.997% *  0.0193% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.77 +/- 2.36   0.099% *  0.0920% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.10 +/- 2.71   0.105% *  0.0149% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 61.5:
      O   HN    MET   92 - HB2   MET   92   3.08 +/- 0.52  80.912% * 99.7272% (0.92  10.0   3.65  61.49) =  99.984%  kept
          HN    THR   46 - HB2   MET   92   8.60 +/- 2.20   8.621% *  0.1078% (1.00   1.0   0.02   0.02) =   0.012%
          HN    LYS+ 112 - HB2   MET   92  11.54 +/- 4.42   9.735% *  0.0300% (0.28   1.0   0.02   0.02) =   0.004%
          HN    LYS+  74 - HB2   MET   92  17.83 +/- 3.03   0.667% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  36.34 +/- 5.65   0.065% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 61.5:
      O T HA    MET   92 - HB2   MET   92   2.68 +/- 0.28  98.945% * 99.8006% (0.61  10.0 10.00   3.87  61.49) =  99.999%  kept
          HA    HIS  122 - HB2   MET   92  21.72 +/- 3.65   0.540% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HB2   MET   92  19.56 +/- 2.60   0.515% *  0.0676% (0.41   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 61.4:
      O   HG3   MET   92 - HB3   MET   92   2.77 +/- 0.25  90.597% * 97.1643% (0.73  10.0   3.29  61.49) =  99.911%  kept
          QG    GLN   90 - HB3   MET   92   8.83 +/- 0.91   3.422% *  2.1733% (0.80   1.0   0.41   0.02) =   0.084%
          HB2   ASP-  44 - HB3   MET   92  11.40 +/- 1.20   1.548% *  0.0812% (0.61   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   MET   92  14.29 +/- 2.61   0.837% *  0.1335% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  17.45 +/- 2.60   0.546% *  0.0972% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   MET   92  14.22 +/- 3.71   1.816% *  0.0234% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  16.10 +/- 1.50   0.545% *  0.0456% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.21 +/- 3.99   0.260% *  0.0866% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  26.27 +/- 2.34   0.125% *  0.1118% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  25.48 +/- 3.13   0.154% *  0.0651% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.38 +/- 2.58   0.152% *  0.0181% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 61.5:
      O T HA    MET   92 - HB3   MET   92   2.88 +/- 0.18  98.534% * 99.8006% (0.61  10.0 10.00   4.22  61.49) =  99.998%  kept
          HA    HIS  122 - HB3   MET   92  20.66 +/- 3.71   0.806% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HB3   MET   92  18.69 +/- 2.64   0.660% *  0.0676% (0.41   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 61.5:
      O T HA    MET   92 - HG2   MET   92   2.83 +/- 0.46  98.562% * 99.8006% (0.61  10.0 10.00   2.49  61.49) =  99.998%  kept
          HA    HIS  122 - HG2   MET   92  22.09 +/- 4.31   0.784% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HG2   MET   92  19.93 +/- 3.48   0.654% *  0.0676% (0.41   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.371, support = 0.632, residual support = 3.19:
          HB2   SER   37 - QG2   THR   39   3.30 +/- 0.83  69.017% * 46.9990% (0.30   0.73   4.23) =  74.690%  kept
          HA1   GLY   16 - QG2   THR   39   7.48 +/- 3.24  24.230% * 44.9516% (0.60   0.35   0.12) =  25.079%  kept
          HA    LYS+  66 - QG2   THR   39  12.33 +/- 2.21   3.085% *  1.9863% (0.46   0.02   0.02) =   0.141%  kept
          HA1   GLY   16 - QG2   THR   23  16.10 +/- 2.08   1.066% *  1.4552% (0.33   0.02   0.02) =   0.036%
          HA    LYS+  66 - QG2   THR   23  17.41 +/- 2.12   0.667% *  1.1146% (0.26   0.02   0.02) =   0.017%
          HA    LYS+  66 - QB    ALA   91  19.10 +/- 3.50   0.591% *  0.9380% (0.22   0.02   0.02) =   0.013%
          HB2   SER   37 - QG2   THR   23  16.72 +/- 2.08   0.742% *  0.7226% (0.17   0.02   0.02) =   0.012%
          HA1   GLY   16 - QB    ALA   91  23.74 +/- 3.38   0.265% *  1.2246% (0.28   0.02   0.02) =   0.007%
          HB2   SER   37 - QB    ALA   91  23.55 +/- 2.45   0.337% *  0.6081% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.45 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 3.99, residual support = 61.3:
      O   HN    MET   92 - HB3   MET   92   3.57 +/- 0.45  80.493% * 97.5454% (0.92  10.0   4.00  61.49) =  99.617%  kept
          HN    THR   46 - HB3   MET   92   8.06 +/- 2.13  12.554% *  2.3922% (0.76   1.0   0.59   0.02) =   0.381%  kept
          HN    ASP- 113 - HB3   MET   92  12.37 +/- 3.76   5.959% *  0.0263% (0.25   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB3   MET   92  17.12 +/- 2.83   0.994% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.721, support = 0.02, residual support = 0.02:
          HA    THR   46 - HB3   MET   92   6.86 +/- 2.44  43.266% * 16.4223% (0.80   0.02   0.02) =  62.400%  kept
          HA    VAL   42 - HB3   MET   92  15.25 +/- 2.29  10.221% * 18.3930% (0.90   0.02   0.02) =  16.510%  kept
          HA    GLN   90 - HB3   MET   92   8.72 +/- 0.53  24.047% *  3.5917% (0.18   0.02   0.02) =   7.585%  kept
          HA    PHE   55 - HB3   MET   92  13.91 +/- 3.81  10.588% *  6.3300% (0.31   0.02   0.02) =   5.886%  kept
          HA    GLN   17 - HB3   MET   92  23.48 +/- 3.79   1.565% * 17.7900% (0.87   0.02   0.02) =   2.445%  kept
          HA    PRO   58 - HB3   MET   92  16.27 +/- 3.22   4.698% *  5.1139% (0.25   0.02   0.02) =   2.110%  kept
          HA    SER   37 - HB3   MET   92  28.84 +/- 2.91   0.791% * 17.7900% (0.87   0.02   0.02) =   1.236%  kept
          HA    LEU   40 - HB3   MET   92  21.46 +/- 2.74   2.641% *  3.1644% (0.15   0.02   0.02) =   0.734%  kept
          HA    GLU-  15 - HB3   MET   92  26.91 +/- 3.45   1.187% *  5.7022% (0.28   0.02   0.02) =   0.594%  kept
          HA    SER   13 - HB3   MET   92  31.61 +/- 3.62   0.997% *  5.7022% (0.28   0.02   0.02) =   0.499%  kept
    Distance limit 4.25 A violated in 12 structures by 1.97 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 61.5:
      O T HA    MET   92 - HG3   MET   92   3.14 +/- 0.68  98.276% * 99.9198% (0.99  10.0 10.00   3.97  61.49) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  17.10 +/- 2.85   0.909% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  22.29 +/- 4.31   0.815% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 61.5:
          HN    MET   92 - HG3   MET   92   3.42 +/- 0.63  85.438% * 99.2221% (0.92   3.74  61.49) =  99.937%  kept
          HN    THR   46 - HG3   MET   92   9.43 +/- 2.23  10.817% *  0.4388% (0.76   0.02   0.02) =   0.056%
          HN    ASP- 113 - HG3   MET   92  13.68 +/- 3.93   3.043% *  0.1432% (0.25   0.02   0.02) =   0.005%
          HN    LYS+  74 - HG3   MET   92  18.49 +/- 2.84   0.702% *  0.1959% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 1.2, residual support = 2.39:
          QD    PHE   45 - HB2   PRO   93   6.09 +/- 1.70  63.729% * 99.2013% (0.41   1.20   2.39) =  99.833%  kept
          HN    LYS+  65 - HB2   PRO   93  13.09 +/- 2.73  13.995% *  0.6213% (0.15   0.02   0.02) =   0.137%  kept
          QD    PHE   45 - HG3   GLN   30  14.01 +/- 2.40   9.727% *  0.1290% (0.03   0.02   0.02) =   0.020%
          HN    LYS+  65 - HG3   GLN   30  13.35 +/- 2.56  12.550% *  0.0484% (0.01   0.02   0.02) =   0.010%
    Distance limit 4.35 A violated in 13 structures by 1.88 A, kept.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.36, residual support = 15.4:
      O   HN    THR   94 - HB2   PRO   93   3.58 +/- 0.44  91.404% * 99.8806% (1.00  10.0   4.36  15.45) =  99.996%  kept
          HN    GLU-  79 - HB2   PRO   93  13.31 +/- 2.45   3.662% *  0.0727% (0.73   1.0   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   PRO   93  13.93 +/- 2.10   1.807% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  16.55 +/- 3.80   1.516% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.04 +/- 2.11   0.868% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  20.69 +/- 4.56   0.743% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.392, support = 0.02, residual support = 2.21:
          QD    PHE   45 - HG2   PRO   93   7.56 +/- 1.49  81.966% * 72.7108% (0.41   0.02   2.39) =  92.372%  kept
          HN    LYS+  65 - HG2   PRO   93  15.07 +/- 2.74  18.034% * 27.2892% (0.15   0.02   0.02) =   7.628%  kept
    Distance limit 4.19 A violated in 16 structures by 3.31 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 = 132.3:
      O   HB2   PRO   93 - HG3   PRO   93   2.62 +/- 0.26  92.432% * 98.6893% (0.84  10.0  1.00   5.30 132.33) =  99.990%  kept
          HB2   ARG+  54 - HG3   PRO   93  11.58 +/- 3.79   2.924% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HG3   PRO   93  11.06 +/- 2.74   1.940% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HG3   PRO   93  13.11 +/- 3.18   1.400% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  22.15 +/- 2.12   0.196% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG3   PRO   93  21.07 +/- 4.21   0.734% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  21.90 +/- 1.93   0.202% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.15 +/- 2.13   0.113% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  34.85 +/- 4.77   0.058% *  0.0182% (0.15   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 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.3:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  94.349% * 96.9677% (0.99  10.0 10.00   3.97 132.33) =  99.989%  kept
        T QB    LYS+  65 - HG3   PRO   93  13.64 +/- 3.29   0.483% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU  123 - HG3   PRO   93  18.29 +/- 4.60   0.978% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HG3   PRO   93   8.52 +/- 3.99   3.570% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   PRO   93  18.43 +/- 2.05   0.111% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  20.65 +/- 1.45   0.061% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG3   PRO   93  15.45 +/- 2.34   0.211% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.67 +/- 1.46   0.100% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.20 +/- 3.73   0.089% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  23.73 +/- 3.50   0.047% *  0.0218% (0.22   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 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.945, support = 3.97, residual support = 130.3:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  89.522% * 80.3702% (0.95  10.0 10.00   3.97 132.33) =  98.437%  kept
          HB3   MET   92 - HG2   PRO   93   4.37 +/- 0.60   6.543% * 17.2882% (0.92   1.0  1.00   4.41   1.87) =   1.548%  kept
        T HD2   LYS+ 111 - HG2   PRO   93  11.18 +/- 3.49   0.877% *  0.8328% (0.98   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  65 - HG2   PRO   93  14.88 +/- 4.03   1.373% *  0.1892% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HG2   PRO   93  21.18 +/- 2.12   0.058% *  0.6803% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HG2   PRO   93  18.64 +/- 4.07   0.382% *  0.0820% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  18.21 +/- 3.24   0.402% *  0.0680% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.31 +/- 1.60   0.313% *  0.0515% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  24.59 +/- 2.87   0.041% *  0.3493% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.73 +/- 2.63   0.203% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.50 +/- 2.10   0.077% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  15.45 +/- 3.08   0.209% *  0.0168% (0.20   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 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.50 +/- 0.28  79.835% * 99.5358% (0.97  10.0   3.97 132.33) =  99.976%  kept
          QB    PHE   55 - HG3   PRO   93   8.90 +/- 4.09   8.314% *  0.1029% (1.00   1.0   0.02   0.02) =   0.011%
          HB3   CYS   53 - HG3   PRO   93   8.26 +/- 3.32   7.361% *  0.0861% (0.84   1.0   0.02   0.02) =   0.008%
          HB2   PHE   59 - HG3   PRO   93  10.76 +/- 3.22   3.219% *  0.0952% (0.92   1.0   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG3   PRO   93  13.06 +/- 3.62   1.009% *  0.0788% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   PRO   93  18.91 +/- 2.88   0.261% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.68 +/- 0.28  97.847% * 99.4436% (0.25  10.0   3.97 132.33) =  99.993%  kept
          HA    THR   77 - HG3   PRO   93  11.76 +/- 2.08   1.649% *  0.3681% (0.92   1.0   0.02   0.02) =   0.006%
          HB2   TRP   27 - HG3   PRO   93  20.99 +/- 2.32   0.290% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.72 +/- 2.08   0.214% *  0.0888% (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 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  14.86 +/- 2.59 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.24 A violated in 20 structures by 10.62 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.643, support = 0.02, residual support = 1.06:
          HN    ALA  110 - HD2   PRO   93   9.61 +/- 4.16  41.232% * 45.6992% (0.71   0.02   0.02) =  52.450%  kept
          HN    PHE   45 - HD2   PRO   93   8.36 +/- 0.51  40.425% * 38.9422% (0.61   0.02   2.39) =  43.820%  kept
          HN    ASP-  44 - HD2   PRO   93  12.13 +/- 1.31  16.207% *  7.1936% (0.11   0.02   0.02) =   3.245%  kept
          HN    GLU-  25 - HD2   PRO   93  24.17 +/- 2.54   2.135% *  8.1650% (0.13   0.02   0.02) =   0.485%  kept
    Distance limit 4.29 A violated in 19 structures by 2.75 A, eliminated.
    Peak unassigned.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.479, support = 0.103, residual support = 0.02:
          HA    TRP   49 - HD2   PRO   93  12.50 +/- 2.50  14.118% * 63.6540% (0.50   0.16   0.02) =  61.441%  kept
          HA1   GLY  109 - HD2   PRO   93   9.37 +/- 4.05  36.653% *  6.2631% (0.38   0.02   0.02) =  15.695%  kept
          HA    CYS   50 - HD2   PRO   93   9.58 +/- 3.00  29.859% *  5.7944% (0.35   0.02   0.02) =  11.829%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.21 +/- 1.87   6.523% * 11.8778% (0.72   0.02   0.02) =   5.297%  kept
          HA    CYS   21 - HD2   PRO   93  21.25 +/- 2.95   6.931% * 10.3260% (0.63   0.02   0.02) =   4.893%  kept
          HA    ALA   20 - HD2   PRO   93  20.30 +/- 2.29   5.916% *  2.0848% (0.13   0.02   0.02) =   0.843%  kept
    Distance limit 4.25 A violated in 14 structures by 2.99 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.586, support = 0.02, residual support = 0.02:
          QB    ALA  110 - HD2   PRO   93   8.85 +/- 3.59  24.881% * 11.6320% (0.69   0.02   0.02) =  36.987%  kept
          QB    ALA   61 - HD2   PRO   93  12.91 +/- 2.13   8.574% * 12.2692% (0.72   0.02   0.02) =  13.444%  kept
          QG    LYS+  66 - HD2   PRO   93  17.02 +/- 3.02   8.232% *  9.8463% (0.58   0.02   0.02) =  10.358%  kept
          HG    LEU   80 - HD2   PRO   93  16.56 +/- 2.83   4.838% * 11.8670% (0.70   0.02   0.02) =   7.337%  kept
          HB3   LEU   67 - HD2   PRO   93  18.53 +/- 2.06   3.759% * 11.6320% (0.69   0.02   0.02) =   5.587%  kept
          HB3   LEU  115 - HD2   PRO   93   9.97 +/- 3.00  19.713% *  2.1535% (0.13   0.02   0.02) =   5.425%  kept
          HB2   LEU   80 - HD2   PRO   93  15.34 +/- 2.96   6.953% *  5.9854% (0.35   0.02   0.02) =   5.319%  kept
          HD3   LYS+ 121 - HD2   PRO   93  18.11 +/- 3.74   8.214% *  4.1944% (0.25   0.02   0.02) =   4.403%  kept
          HG    LEU   73 - HD2   PRO   93  18.33 +/- 2.81   4.146% *  7.4582% (0.44   0.02   0.02) =   3.952%  kept
          HG12  ILE   19 - HD2   PRO   93  22.74 +/- 2.82   2.268% * 11.0279% (0.65   0.02   0.02) =   3.197%  kept
          HB3   LYS+  74 - HD2   PRO   93  17.36 +/- 2.41   3.552% *  3.7953% (0.22   0.02   0.02) =   1.723%  kept
          HG2   LYS+ 102 - HD2   PRO   93  24.24 +/- 2.14   1.891% *  5.9854% (0.35   0.02   0.02) =   1.447%  kept
          HG    LEU   40 - HD2   PRO   93  19.75 +/- 1.98   2.978% *  2.1535% (0.13   0.02   0.02) =   0.820%  kept
    Distance limit 3.84 A violated in 17 structures by 3.09 A, eliminated.
    Peak unassigned.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.0963, support = 2.96, residual support = 18.2:
          HB3   LEU   67 - HD3   PRO   68   4.46 +/- 0.43  31.659% * 56.4533% (0.08   3.39  21.67) =  84.030%  kept
          QG    LYS+  66 - HD3   PRO   68   5.15 +/- 1.71  26.794% *  9.5215% (0.05   0.90   0.02) =  11.994%  kept
          QB    ALA  110 - HD3   PRO   93   9.09 +/- 3.92  12.818% *  3.3366% (0.78   0.02   0.02) =   2.011%  kept
          HD3   LYS+ 121 - HD3   PRO   93  18.00 +/- 3.73   4.820% *  3.2129% (0.75   0.02   0.02) =   0.728%  kept
          QB    ALA   61 - HD3   PRO   93  12.61 +/- 2.05   1.891% *  2.4884% (0.58   0.02   0.02) =   0.221%  kept
          HB2   LEU   80 - HD3   PRO   93  15.25 +/- 2.91   1.094% *  3.6387% (0.85   0.02   0.02) =   0.187%  kept
          HD3   LYS+ 121 - HD3   PRO   68  14.17 +/- 4.18   5.521% *  0.5718% (0.13   0.02   0.02) =   0.148%  kept
          HG    LEU   80 - HD3   PRO   93  16.52 +/- 2.78   0.797% *  3.2129% (0.75   0.02   0.02) =   0.120%  kept
          HB3   LYS+  74 - HD3   PRO   93  17.09 +/- 2.52   0.568% *  3.0801% (0.72   0.02   0.02) =   0.082%
          QB    LEU   98 - HD3   PRO   93  16.82 +/- 1.56   0.749% *  2.0238% (0.47   0.02   0.02) =   0.071%
          QB    ALA   61 - HD3   PRO   68   9.95 +/- 1.11   2.797% *  0.4429% (0.10   0.02   0.02) =   0.058%
          QG    LYS+  66 - HD3   PRO   93  16.76 +/- 2.98   1.030% *  1.1872% (0.28   0.02   0.02) =   0.058%
          HB3   LYS+  74 - HD3   PRO   68  13.20 +/- 3.29   2.050% *  0.5482% (0.13   0.02   0.02) =   0.053%
          HG12  ILE   19 - HD3   PRO   68  13.36 +/- 2.41   1.684% *  0.6319% (0.15   0.02   0.02) =   0.050%
          HB3   LEU   67 - HD3   PRO   93  18.31 +/- 2.33   0.560% *  1.8723% (0.44   0.02   0.02) =   0.049%
          HG12  ILE   19 - HD3   PRO   93  22.59 +/- 2.91   0.285% *  3.5508% (0.83   0.02   0.02) =   0.048%
          QB    LEU   98 - HD3   PRO   68  14.92 +/- 3.11   1.259% *  0.3602% (0.08   0.02   0.02) =   0.021%
          HG    LEU   73 - HD3   PRO   93  18.17 +/- 2.81   0.558% *  0.6737% (0.16   0.02   0.02) =   0.018%
          QB    ALA  110 - HD3   PRO   68  19.87 +/- 2.40   0.407% *  0.5938% (0.14   0.02   0.02) =   0.011%
          HB2   LEU   80 - HD3   PRO   68  21.61 +/- 3.63   0.306% *  0.6476% (0.15   0.02   0.02) =   0.009%
          QB    ALA   12 - HD3   PRO   93  27.38 +/- 3.57   0.180% *  1.0695% (0.25   0.02   0.02) =   0.009%
          QB    ALA   12 - HD3   PRO   68  16.42 +/- 2.80   1.004% *  0.1903% (0.04   0.02   0.02) =   0.009%
          HG    LEU   80 - HD3   PRO   68  22.28 +/- 4.20   0.294% *  0.5718% (0.13   0.02   0.02) =   0.008%
          HG    LEU   73 - HD3   PRO   68  14.57 +/- 1.65   0.875% *  0.1199% (0.03   0.02   0.02) =   0.005%
    Distance limit 3.80 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 6.38:
          QG2   ILE   89 - HB    THR   94   3.76 +/- 1.59 100.000% *100.0000% (0.28   2.00   6.38) = 100.000%  kept
    Distance limit 3.36 A violated in 2 structures by 0.73 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 6.37:
          QD1   ILE   89 - HB    THR   94   3.23 +/- 1.26  83.439% * 98.9959% (0.77   2.00   6.38) =  99.879%  kept
          QG2   VAL   83 - HB    THR   94   8.28 +/- 1.71  11.961% *  0.7366% (0.57   0.02   0.02) =   0.107%  kept
          QD2   LEU   31 - HB    THR   94  13.79 +/- 2.94   4.600% *  0.2674% (0.21   0.02   0.02) =   0.015%
    Distance limit 3.70 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.7:
        T HB2   PHE   45 - HB    THR   94   2.68 +/- 0.65  97.180% * 99.8423% (0.81 10.00   2.96  27.70) =  99.998%  kept
          QE    LYS+ 111 - HB    THR   94  13.12 +/- 1.84   1.271% *  0.1032% (0.83  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB    THR   94  15.58 +/- 4.16   1.550% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.03 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  13.88 +/- 2.99 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 10.87 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 = 24.4:
      O   HN    THR   94 - HB    THR   94   2.88 +/- 0.33  95.379% * 99.8964% (0.83  10.0   3.08  24.41) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.45 +/- 2.14   2.022% *  0.0727% (0.61   1.0   0.02   0.02) =   0.002%
          HN    SER   85 - HB    THR   94  10.76 +/- 1.86   2.598% *  0.0309% (0.26   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 0.806, support = 3.29, residual support = 27.7:
          HN    PHE   45 - HB    THR   94   3.87 +/- 0.58  93.873% * 97.6930% (0.81   3.30  27.70) =  99.846%  kept
          HN    ALA  110 - HB    THR   94  11.40 +/- 2.35   6.127% *  2.3070% (0.67   0.09   0.02) =   0.154%  kept
    Distance limit 4.26 A violated in 1 structures by 0.11 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   5.66 +/- 0.65 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.52 A violated in 16 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.28, residual support = 14.5:
          HN    PHE   95 - QG2   THR   94   2.65 +/- 0.43 100.000% *100.0000% (0.97   4.28  14.50) = 100.000%  kept
    Distance limit 3.21 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 = 0.658, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HA    PHE   95  11.02 +/- 1.65  28.627% * 25.3593% (0.76   0.02   0.02) =  40.736%  kept
          HA    LEU  104 - HA    PHE   95  12.14 +/- 0.70  19.936% * 27.7167% (0.84   0.02   0.02) =  31.007%  kept
          HA    PHE   59 - HA    PHE   95  10.50 +/- 2.13  34.264% *  8.2742% (0.25   0.02   0.02) =  15.908%  kept
          HA    ASP-  86 - HA    PHE   95  14.58 +/- 1.74  11.826% * 12.4539% (0.38   0.02   0.02) =   8.264%  kept
          HA    GLU-  14 - HA    PHE   95  23.21 +/- 3.13   3.450% * 14.8769% (0.45   0.02   0.02) =   2.880%  kept
          HA    ALA   12 - HA    PHE   95  27.41 +/- 2.96   1.897% * 11.3190% (0.34   0.02   0.02) =   1.205%  kept
    Distance limit 3.56 A violated in 20 structures by 5.08 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 = 73.4:
          QD    PHE   95 - HA    PHE   95   2.54 +/- 0.59  97.279% * 99.8140% (0.87   3.44  73.42) =  99.995%  kept
          HN    ALA   47 - HA    PHE   95  10.47 +/- 0.91   2.721% *  0.1860% (0.28   0.02   0.27) =   0.005%
    Distance limit 3.71 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 = 3.99, residual support = 11.9:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.02  98.434% * 99.9753% (0.80  10.0   3.99  11.92) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.75 +/- 2.81   1.566% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 4.32, residual support = 73.4:
      O   HN    PHE   95 - HA    PHE   95   2.92 +/- 0.02 100.000% *100.0000% (0.53  10.0   4.32  73.42) = 100.000%  kept
    Distance limit 3.81 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 = 73.4:
      O   QD    PHE   95 - HB2   PHE   95   2.41 +/- 0.15  98.976% * 99.9680% (0.87  10.0   3.00  73.42) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.93 +/- 1.29   1.024% *  0.0320% (0.28   1.0   0.02   0.27) =   0.000%
    Distance limit 3.43 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 = 73.4:
      O   QD    PHE   95 - HB3   PHE   95   2.61 +/- 0.16  98.623% * 99.9680% (0.87  10.0   3.31  73.42) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.44 +/- 1.43   1.377% *  0.0320% (0.28   1.0   0.02   0.27) =   0.000%
    Distance limit 3.30 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 = 4.18, residual support = 73.4:
      O   HN    PHE   95 - HB3   PHE   95   3.38 +/- 0.52 100.000% *100.0000% (0.53  10.0   4.18  73.42) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.85, residual support = 73.4:
      O   HN    PHE   95 - HB2   PHE   95   2.78 +/- 0.37 100.000% *100.0000% (0.53  10.0   3.85  73.42) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.832, support = 2.08, residual support = 45.9:
          QG2   VAL  107 - HB3   PHE   95   3.77 +/- 0.72  74.769% * 91.0162% (0.84   2.10  46.22) =  99.344%  kept
          HG13  ILE  103 - HB3   PHE   95  10.20 +/- 0.91   5.181% *  6.2139% (0.38   0.32   0.02) =   0.470%  kept
          HG2   LYS+ 121 - HB3   PHE   95  12.56 +/- 3.10   4.862% *  1.0194% (0.98   0.02   0.02) =   0.072%
          HG13  ILE  119 - HB3   PHE   95   9.10 +/- 2.15  11.103% *  0.4275% (0.41   0.02   0.02) =   0.069%
          QB    ALA   20 - HB3   PHE   95  14.52 +/- 2.53   2.659% *  0.9327% (0.90   0.02   0.02) =   0.036%
          HB3   LEU   31 - HB3   PHE   95  16.87 +/- 2.60   1.425% *  0.3903% (0.38   0.02   0.02) =   0.008%
    Distance limit 3.97 A violated in 1 structures by 0.21 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.74, support = 1.34, residual support = 4.87:
          QD2   LEU  115 - HB3   PHE   95   6.17 +/- 1.23  26.387% * 49.0029% (0.90   1.32   8.75) =  49.859%  kept
          QD1   LEU   63 - HB3   PHE   95   7.32 +/- 3.87  31.215% * 36.0287% (0.57   1.53   1.17) =  43.366%  kept
          QD1   LEU  104 - HB3   PHE   95   9.62 +/- 1.50  11.122% * 10.0872% (1.00   0.24   0.02) =   4.326%  kept
          QG2   ILE   89 - HB3   PHE   95   7.87 +/- 1.69  18.625% *  3.0404% (0.15   0.47   0.02) =   2.184%  kept
          QD1   LEU   73 - HB3   PHE   95  11.72 +/- 2.22   8.022% *  0.4704% (0.57   0.02   0.02) =   0.146%  kept
          QG1   VAL   83 - HB3   PHE   95  12.98 +/- 1.96   2.638% *  0.6034% (0.73   0.02   0.02) =   0.061%
          QD2   LEU   80 - HB3   PHE   95  14.72 +/- 2.52   1.992% *  0.7670% (0.92   0.02   0.02) =   0.059%
    Distance limit 3.74 A violated in 5 structures by 0.82 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.65, support = 0.706, residual support = 0.624:
          QG1   VAL   42 - HB3   PHE   95   5.02 +/- 2.05  52.959% * 35.0537% (0.65   0.73   0.80) =  65.685%  kept
          QB    ALA   47 - HB3   PHE   95  10.49 +/- 1.57  15.354% * 34.6559% (0.76   0.61   0.27) =  18.828%  kept
          QB    ALA   64 - HB3   PHE   95   8.39 +/- 1.97  14.406% * 29.8291% (0.53   0.76   0.25) =  15.205%  kept
          HG2   LYS+ 112 - HB3   PHE   95  10.46 +/- 2.69  17.280% *  0.4613% (0.31   0.02   3.16) =   0.282%  kept
    Distance limit 3.75 A violated in 6 structures by 0.90 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 4.04, residual support = 46.2:
          QG2   VAL  107 - HB2   PHE   95   2.94 +/- 0.70  86.074% * 94.8673% (0.34   4.04  46.22) =  99.850%  kept
          HG13  ILE  119 - HB2   PHE   95   9.47 +/- 1.96   5.157% *  1.2343% (0.90   0.02   0.02) =   0.078%
          HG2   LYS+ 121 - HB2   PHE   95  12.49 +/- 3.19   2.877% *  0.7792% (0.57   0.02   0.02) =   0.027%
          QB    ALA   20 - HB2   PHE   95  15.27 +/- 2.53   1.012% *  1.2704% (0.92   0.02   0.02) =   0.016%
          HD3   LYS+ 112 - HB2   PHE   95  10.19 +/- 2.81   3.051% *  0.3827% (0.28   0.02   3.16) =   0.014%
          HB3   LEU   31 - HB2   PHE   95  17.33 +/- 2.65   0.759% *  1.1938% (0.87   0.02   0.02) =   0.011%
          QG1   VAL   24 - HB2   PHE   95  16.50 +/- 3.15   1.070% *  0.2724% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.21, residual support = 46.2:
        T HB    VAL  107 - HB2   PHE   95   2.43 +/- 0.49  90.852% * 99.6841% (0.80 10.00   4.21  46.22) =  99.995%  kept
          HB3   PHE   45 - HB2   PHE   95   8.37 +/- 0.83   4.444% *  0.0467% (0.38  1.00   0.02   1.89) =   0.002%
          QE    LYS+ 112 - HB2   PHE   95   9.40 +/- 2.48   3.221% *  0.0467% (0.38  1.00   0.02   3.16) =   0.002%
          QG    GLU-  79 - HB2   PHE   95  15.12 +/- 2.31   0.952% *  0.0855% (0.69  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   PHE   95  20.95 +/- 1.99   0.195% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.93 +/- 1.11   0.336% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.922, support = 0.747, residual support = 6.36:
          QD1   ILE   89 - QG2   THR   94   2.88 +/- 1.21  80.664% * 97.3666% (0.92   0.75   6.38) =  99.630%  kept
          QG2   VAL   83 - QG2   THR   94   7.41 +/- 1.43  12.650% *  1.9321% (0.69   0.02   0.02) =   0.310%  kept
          QD2   LEU   31 - QG2   THR   94  11.52 +/- 2.90   6.686% *  0.7014% (0.25   0.02   0.02) =   0.059%
    Distance limit 3.15 A violated in 2 structures by 0.35 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.14:
        T HA    LYS+ 106 - HA    MET   96   2.99 +/- 0.78 100.000% *100.0000% (0.97 10.00   1.07   2.14) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.2:
      O   HN    PHE   97 - HA    MET   96   2.29 +/- 0.10  98.534% * 99.8692% (0.88  10.0   6.07  44.24) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  11.53 +/- 0.97   0.862% *  0.0999% (0.88   1.0   0.02   0.25) =   0.001%
          HN    ASP- 113 - HA    MET   96  14.63 +/- 2.07   0.604% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 115.4:
      O   HN    MET   96 - HA    MET   96   2.90 +/- 0.02 100.000% *100.0000% (0.63  10.0   4.09 115.41) = 100.000%  kept
    Distance limit 3.78 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 = 1.77, residual support = 7.58:
        T QE    PHE   45 - HB2   MET   96   4.67 +/- 2.31  65.892% * 98.1113% (0.49 10.00   1.78   7.60) =  99.635%  kept
        T HZ    PHE   72 - HB2   MET   96  10.81 +/- 2.25  11.631% *  1.7330% (0.76 10.00   0.02   0.02) =   0.311%  kept
          QD    PHE   72 - HB2   MET   96   8.54 +/- 1.93  22.478% *  0.1558% (0.69  1.00   0.02   0.02) =   0.054%
    Distance limit 3.85 A violated in 4 structures by 1.04 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.2:
          HN    PHE   97 - HB2   MET   96   4.05 +/- 0.26  95.105% * 99.4517% (0.92   6.07  44.24) =  99.988%  kept
          HN    LEU  115 - HB2   MET   96  13.52 +/- 0.98   2.921% *  0.3275% (0.92   0.02   0.25) =   0.010%
          HN    ASN   35 - HB2   MET   96  16.90 +/- 2.89   1.589% *  0.0480% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   MET   96  26.67 +/- 3.55   0.384% *  0.1727% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.03, residual support = 115.4:
      O   HN    MET   96 - HB2   MET   96   2.71 +/- 0.23 100.000% *100.0000% (0.65  10.0   4.03 115.41) = 100.000%  kept
    Distance limit 3.75 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 = 0.78, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.39 +/- 1.86  37.258% * 81.6578% (0.99   0.02   0.02) =  72.555%  kept
          QD    PHE   72 - HB3   MET   96   9.26 +/- 1.56  62.742% * 18.3422% (0.22   0.02   0.02) =  27.445%  kept
    Distance limit 3.69 A violated in 20 structures by 5.05 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 = 115.4:
      O   HN    MET   96 - HB3   MET   96   2.86 +/- 0.30 100.000% *100.0000% (0.65  10.0   3.97 115.41) = 100.000%  kept
    Distance limit 3.69 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 = 0.733, support = 1.95, residual support = 15.4:
          QG1   VAL   43 - HB2   MET   96   2.74 +/- 0.86  78.620% * 64.3091% (0.73   2.00  16.01) =  96.477%  kept
          QG2   THR   46 - HB2   MET   96   9.80 +/- 1.43   5.294% * 32.8807% (0.98   0.76   0.02) =   3.321%  kept
          QD2   LEU  104 - HB2   MET   96   8.34 +/- 1.04   6.839% *  0.7091% (0.80   0.02   0.02) =   0.093%
          QG1   VAL   41 - HB2   MET   96   8.25 +/- 1.96   5.194% *  0.4659% (0.53   0.02   0.02) =   0.046%
          QG2   VAL   18 - HB2   MET   96  12.05 +/- 2.70   2.327% *  0.8175% (0.92   0.02   0.02) =   0.036%
          QD1   ILE   19 - HB2   MET   96  13.44 +/- 2.90   1.727% *  0.8175% (0.92   0.02   0.02) =   0.027%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.69, support = 1.48, residual support = 5.38:
          QD1   ILE   89 - HB2   MET   96   5.36 +/- 2.05  57.436% * 96.5403% (0.69   1.50   5.45) =  98.690%  kept
          QD2   LEU   31 - HB2   MET   96  10.21 +/- 3.39  26.453% *  1.7298% (0.92   0.02   0.02) =   0.814%  kept
          QG2   VAL   83 - HB2   MET   96   9.16 +/- 2.44  16.111% *  1.7298% (0.92   0.02   0.02) =   0.496%  kept
    Distance limit 3.95 A violated in 7 structures by 0.92 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.686, support = 1.49, residual support = 5.43:
        T QD1   ILE   89 - HB3   MET   96   4.93 +/- 2.36  78.278% * 98.3154% (0.69 10.00   1.50   5.45) =  99.527%  kept
          QG2   VAL   83 - HB3   MET   96   9.28 +/- 2.55  21.722% *  1.6846% (0.41  1.00   0.43   0.02) =   0.473%  kept
    Distance limit 3.95 A violated in 8 structures by 1.41 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.2:
          HN    PHE   97 - HG2   MET   96   2.83 +/- 0.68  84.885% * 99.1283% (0.92   5.59  44.24) =  99.978%  kept
          HN    LEU  115 - HB2   PRO   52  11.54 +/- 4.52  12.321% *  0.1041% (0.27   0.02   0.02) =   0.015%
          HN    LEU  115 - HG2   MET   96  13.74 +/- 1.01   1.252% *  0.3544% (0.92   0.02   0.25) =   0.005%
          HN    PHE   97 - HB2   PRO   52  18.99 +/- 3.08   0.605% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  17.51 +/- 3.03   0.620% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.18 +/- 3.82   0.105% *  0.1869% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  35.29 +/- 4.86   0.064% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.13 +/- 3.95   0.147% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.95, residual support = 44.2:
          HN    PHE   97 - HG3   MET   96   3.55 +/- 0.59  96.292% * 99.5616% (0.54   5.95  44.24) =  99.991%  kept
          HN    LEU  115 - HG3   MET   96  14.21 +/- 1.52   2.205% *  0.3347% (0.54   0.02   0.25) =   0.008%
          HN    ASP- 113 - HG3   MET   96  17.22 +/- 2.42   1.503% *  0.1038% (0.17   0.02   0.02) =   0.002%
    Distance limit 4.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.596, support = 1.79, residual support = 4.93:
          HG13  ILE  103 - HG2   MET   96   3.64 +/- 0.80  43.378% * 28.6351% (0.25   2.24   6.76) =  52.608%  kept
          QG2   THR   94 - HG2   MET   96   5.59 +/- 0.71  16.673% * 66.2824% (0.99   1.31   2.94) =  46.805%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.56 +/- 5.12  18.641% *  0.2610% (0.25   0.02   0.02) =   0.206%  kept
          HB3   LYS+ 112 - HB2   PRO   52   9.87 +/- 5.50  11.742% *  0.2950% (0.29   0.02   0.02) =   0.147%  kept
          QG2   THR   94 - HB2   PRO   52  11.83 +/- 2.97   2.160% *  1.2928% (0.29   0.09   0.02) =   0.118%  kept
          HB3   LEU   71 - HG2   MET   96  15.43 +/- 3.41   1.131% *  0.8203% (0.80   0.02   0.02) =   0.039%
          HB3   LYS+ 112 - HG2   MET   96  16.84 +/- 2.27   0.865% *  1.0042% (0.98   0.02   0.02) =   0.037%
          HD2   LYS+ 112 - HG2   MET   96  17.02 +/- 2.35   0.642% *  0.8886% (0.87   0.02   0.02) =   0.024%
          HG3   LYS+ 111 - HB2   PRO   52  12.63 +/- 5.66   3.569% *  0.0464% (0.05   0.02   0.02) =   0.007%
          HG3   LYS+ 111 - HG2   MET   96  17.10 +/- 2.59   0.670% *  0.1581% (0.15   0.02   0.02) =   0.004%
          HB3   LEU   71 - HB2   PRO   52  24.10 +/- 3.46   0.255% *  0.2410% (0.24   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB2   PRO   52  22.02 +/- 3.59   0.273% *  0.0750% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.883, support = 2.46, residual support = 6.62:
          QG2   ILE  103 - HG2   MET   96   3.80 +/- 0.71  40.012% * 64.6484% (1.00   2.74   6.76) =  75.703%  kept
          QD1   ILE  103 - HG2   MET   96   3.91 +/- 1.17  39.266% * 19.2761% (0.49   1.67   6.76) =  22.151%  kept
          QD2   LEU   40 - HG2   MET   96   8.71 +/- 2.50   5.100% * 13.7499% (0.95   0.61   0.02) =   2.052%  kept
          QD1   LEU   67 - HG2   MET   96  11.89 +/- 2.23   2.025% *  0.4567% (0.97   0.02   0.02) =   0.027%
          QD2   LEU   71 - HG2   MET   96  13.27 +/- 2.40   3.098% *  0.2870% (0.61   0.02   0.02) =   0.026%
          HB    VAL   75 - HG2   MET   96  10.67 +/- 1.83   2.087% *  0.1776% (0.38   0.02   0.02) =   0.011%
          HG3   LYS+  74 - HG2   MET   96  15.90 +/- 2.19   0.648% *  0.4691% (0.99   0.02   0.02) =   0.009%
          QG2   ILE  119 - HG2   MET   96  14.12 +/- 2.18   1.053% *  0.1461% (0.31   0.02   0.02) =   0.005%
          QG2   ILE  119 - HB2   PRO   52  12.67 +/- 2.91   2.474% *  0.0429% (0.09   0.02   0.02) =   0.003%
          QD1   LEU   67 - HB2   PRO   52  15.71 +/- 2.18   0.790% *  0.1342% (0.28   0.02   0.02) =   0.003%
          QD2   LEU   40 - HB2   PRO   52  18.82 +/- 2.56   0.612% *  0.1315% (0.28   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   PRO   52  18.13 +/- 3.07   0.537% *  0.1387% (0.29   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB2   PRO   52  18.26 +/- 2.72   0.495% *  0.1378% (0.29   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   PRO   52  19.73 +/- 3.54   0.582% *  0.0843% (0.18   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   PRO   52  15.66 +/- 2.27   0.797% *  0.0522% (0.11   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   PRO   52  19.03 +/- 2.95   0.424% *  0.0677% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.341, support = 0.455, residual support = 0.578:
          HG    LEU   98 - HG3   MET   96   4.99 +/- 1.74  29.465% * 23.0967% (0.25   0.63   0.17) =  59.354%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.08 +/- 2.25  25.464% *  9.6532% (0.61   0.11   2.14) =  21.438%  kept
          QB    LEU   98 - HG3   MET   96   4.94 +/- 1.07  22.858% *  4.6824% (0.14   0.24   0.17) =   9.334%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.18 +/- 1.67   1.858% * 40.4711% (0.59   0.47   0.02) =   6.560%  kept
          HB3   PRO   93 - HG3   MET   96  12.69 +/- 1.39   1.152% *  8.9961% (0.34   0.18   0.02) =   0.904%  kept
          QB    ALA   84 - HG3   MET   96  10.70 +/- 3.25   8.466% *  0.9332% (0.32   0.02   0.02) =   0.689%  kept
          HB3   ASP-  44 - HG3   MET   96  10.03 +/- 1.17   2.524% *  2.7259% (0.12   0.16   0.02) =   0.600%  kept
          HB    VAL   42 - HG3   MET   96   8.83 +/- 1.90   3.335% *  1.5907% (0.54   0.02   0.02) =   0.463%  kept
          HB3   LEU   73 - HG3   MET   96  12.55 +/- 3.36   2.147% *  1.6778% (0.57   0.02   0.02) =   0.314%  kept
          HB2   LYS+ 112 - HG3   MET   96  16.92 +/- 2.60   0.894% *  1.7580% (0.60   0.02   0.02) =   0.137%  kept
          HG3   LYS+  65 - HG3   MET   96  16.62 +/- 3.13   0.867% *  1.5907% (0.54   0.02   0.02) =   0.120%  kept
          HG3   LYS+  33 - HG3   MET   96  17.66 +/- 3.29   0.445% *  1.4815% (0.51   0.02   0.02) =   0.057%
          QB    ALA   12 - HG3   MET   96  22.74 +/- 2.86   0.225% *  0.7952% (0.27   0.02   0.02) =   0.016%
          QB    ALA  124 - HG3   MET   96  19.23 +/- 3.62   0.301% *  0.5474% (0.19   0.02   0.02) =   0.014%
    Distance limit 3.91 A violated in 0 structures by 0.06 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.399, support = 1.75, residual support = 4.65:
          QG2   THR   94 - HG3   MET   96   5.64 +/- 0.88  33.299% * 61.8687% (0.60  1.00   1.30   2.94) =  54.773%  kept
          HG13  ILE  103 - HG3   MET   96   4.16 +/- 0.81  60.483% * 27.9037% (0.15  1.00   2.32   6.76) =  44.871%  kept
        T HD2   LYS+ 112 - HG3   MET   96  17.44 +/- 2.83   1.187% *  8.3620% (0.53 10.00   0.02   0.02) =   0.264%  kept
          HB3   LEU   71 - HG3   MET   96  15.29 +/- 3.44   2.554% *  0.7719% (0.49  1.00   0.02   0.02) =   0.052%
          HB3   LYS+ 112 - HG3   MET   96  17.25 +/- 2.60   1.445% *  0.9449% (0.59  1.00   0.02   0.02) =   0.036%
          HG3   LYS+ 111 - HG3   MET   96  17.55 +/- 2.56   1.032% *  0.1487% (0.09  1.00   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.527, support = 2.3, residual support = 6.57:
          QG2   ILE  103 - HG3   MET   96   4.52 +/- 0.73  36.340% * 66.6705% (0.61   2.62   6.76) =  72.479%  kept
          QD1   ILE  103 - HG3   MET   96   4.17 +/- 1.40  42.412% * 19.4349% (0.30   1.57   6.76) =  24.659%  kept
          QD2   LEU   40 - HG3   MET   96   8.79 +/- 2.56   7.460% * 12.2415% (0.57   0.51   0.02) =   2.732%  kept
          QD1   LEU   67 - HG3   MET   96  11.84 +/- 2.25   3.164% *  0.4914% (0.59   0.02   0.02) =   0.047%
          QD2   LEU   71 - HG3   MET   96  13.12 +/- 2.37   4.450% *  0.3088% (0.37   0.02   0.02) =   0.041%
          HB    VAL   75 - HG3   MET   96  10.21 +/- 1.96   3.768% *  0.1911% (0.23   0.02   0.02) =   0.022%
          HG3   LYS+  74 - HG3   MET   96  15.34 +/- 2.25   0.975% *  0.5047% (0.60   0.02   0.02) =   0.015%
          QG2   ILE  119 - HG3   MET   96  14.34 +/- 2.14   1.431% *  0.1571% (0.19   0.02   0.02) =   0.007%
    Distance limit 3.84 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.36, residual support = 10.7:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.02 100.000% *100.0000% (0.80  10.0   3.36  10.67) = 100.000%  kept
    Distance limit 2.77 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 = 4.7, residual support = 62.3:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  98.304% * 99.8692% (0.90  10.0   4.70  62.30) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  13.76 +/- 1.17   1.036% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  17.07 +/- 2.09   0.659% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 62.3:
      O T QD    PHE   97 - HB2   PHE   97   2.46 +/- 0.15  98.544% * 99.9164% (0.45  10.0 10.00   2.44  62.30) =  99.999%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.95 +/- 3.72   1.456% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 7.82, residual support = 59.8:
          HN    ASP- 105 - HB2   PHE   97   2.32 +/- 0.62  98.137% * 99.8986% (0.95   7.82  59.85) =  99.998%  kept
          HN    ALA   88 - HB2   PHE   97  15.65 +/- 3.33   1.863% *  0.1014% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.3:
      O   HN    PHE   97 - HB2   PHE   97   2.95 +/- 0.53  97.482% * 99.8692% (0.90  10.0   4.81  62.30) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  13.00 +/- 1.65   1.474% *  0.0999% (0.90   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB2   PHE   97  16.27 +/- 2.27   1.044% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.941, support = 3.44, residual support = 47.6:
        T HB3   ASP- 105 - HB2   PHE   97   3.32 +/- 0.89  52.294% * 53.2983% (0.99 10.00   3.84  59.85) =  74.789%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.51 +/- 1.29  21.038% * 43.0590% (0.80 10.00   2.28  11.54) =  24.308%  kept
          HG12  ILE  103 - HB2   PHE   97   5.87 +/- 0.88  13.270% *  1.2725% (0.20  1.00   2.39   2.51) =   0.453%  kept
          HB    ILE  103 - HB2   PHE   97   6.60 +/- 0.79   8.123% *  2.0411% (1.00  1.00   0.76   2.51) =   0.445%  kept
          QB    LYS+  33 - HB2   PHE   97  16.41 +/- 2.68   0.741% *  0.0509% (0.95  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  16.45 +/- 4.37   0.652% *  0.0537% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   PHE   97  17.21 +/- 2.94   0.617% *  0.0482% (0.90  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   PHE   97  19.41 +/- 3.85   0.584% *  0.0449% (0.84  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  16.23 +/- 4.71   0.738% *  0.0221% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  16.22 +/- 3.56   0.773% *  0.0202% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.70 +/- 3.28   0.229% *  0.0537% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.85 +/- 3.41   0.693% *  0.0134% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.46 +/- 2.96   0.247% *  0.0221% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.304, support = 4.49, residual support = 14.2:
        T HB2   LEU  104 - HB2   PHE   97   3.42 +/- 1.30  41.508% * 80.3602% (0.31 10.00   4.69  15.98) =  86.840%  kept
          QG2   ILE  103 - HB2   PHE   97   3.86 +/- 0.66  32.477% * 12.0776% (0.25  1.00   3.72   2.51) =  10.212%  kept
          QD2   LEU   40 - HB2   PHE   97   6.37 +/- 3.47  16.102% *  6.9720% (0.38  1.00   1.43   1.38) =   2.923%  kept
          QD1   ILE  119 - HB2   PHE   97  11.37 +/- 2.91   1.856% *  0.1579% (0.61  1.00   0.02   0.92) =   0.008%
          QD1   LEU   67 - HB2   PHE   97  10.79 +/- 3.49   3.116% *  0.0888% (0.34  1.00   0.02   0.02) =   0.007%
          HB    VAL   75 - HB2   PHE   97  12.46 +/- 0.89   0.886% *  0.2463% (0.95  1.00   0.02   0.02) =   0.006%
          QG2   VAL  108 - HB2   PHE   97   8.75 +/- 0.91   3.713% *  0.0515% (0.20  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HB2   PHE   97  17.18 +/- 2.05   0.341% *  0.0456% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.328, support = 1.75, residual support = 5.26:
        T QD2   LEU   40 - HB3   PHE   97   5.91 +/- 3.68  23.952% * 72.8594% (0.36 10.00   1.11   1.38) =  64.938%  kept
          HB2   LEU  104 - HB3   PHE   97   3.44 +/- 1.18  39.779% * 17.4782% (0.29  1.00   3.24  15.98) =  25.871%  kept
          QG2   ILE  103 - HB3   PHE   97   4.17 +/- 0.87  27.710% *  8.8709% (0.24  1.00   2.04   2.51) =   9.147%  kept
          QD1   LEU   67 - HB3   PHE   97  10.39 +/- 3.76   3.150% *  0.1191% (0.32  1.00   0.02   0.02) =   0.014%
          QD1   ILE  119 - HB3   PHE   97  11.18 +/- 2.78   1.573% *  0.2118% (0.57  1.00   0.02   0.92) =   0.012%
          HB    VAL   75 - HB3   PHE   97  12.30 +/- 1.18   0.860% *  0.3303% (0.89  1.00   0.02   0.02) =   0.011%
          QG2   VAL  108 - HB3   PHE   97   9.02 +/- 0.92   2.635% *  0.0691% (0.19  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HB3   PHE   97  16.89 +/- 2.03   0.340% *  0.0612% (0.17  1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.3:
      O T QD    PHE   97 - HB3   PHE   97   2.47 +/- 0.18  98.116% * 99.8821% (0.87  10.0 10.00   2.74  62.30) =  99.998%  kept
          HZ3   TRP   87 - HB3   PHE   97  12.23 +/- 3.74   1.533% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB3   PHE   97  22.57 +/- 3.99   0.351% *  0.0241% (0.21   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 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.65, residual support = 59.8:
          HN    ASP- 105 - HB3   PHE   97   2.66 +/- 0.61  98.672% * 99.1044% (0.46   5.65  59.85) =  99.994%  kept
          HN    ALA   88 - HB3   PHE   97  15.98 +/- 3.26   0.757% *  0.6252% (0.82   0.02   0.02) =   0.005%
          HN    PHE   55 - HB3   PHE   97  19.80 +/- 2.79   0.571% *  0.2705% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.3:
      O   HN    PHE   97 - HB3   PHE   97   3.22 +/- 0.57  97.397% * 99.8692% (0.85  10.0   5.16  62.30) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  13.13 +/- 1.41   1.728% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  16.36 +/- 2.44   0.875% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.765, support = 1.99, residual support = 46.2:
          HB3   ASP- 105 - HB3   PHE   97   3.52 +/- 0.85  57.276% * 44.3309% (0.72  1.00   2.24  59.85) =  72.577%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.87 +/- 1.14  22.302% * 35.4213% (0.93  1.00   1.40  11.54) =  22.580%  kept
          HB    ILE  103 - HB3   PHE   97   6.91 +/- 0.95  10.497% * 15.6735% (0.65  1.00   0.88   2.51) =   4.703%  kept
        T HB3   PRO   58 - HB3   PHE   97  17.10 +/- 3.62   1.528% *  1.1507% (0.21 10.00   0.02   0.02) =   0.050%
          HB    ILE   56 - HB3   PHE   97  16.05 +/- 3.57   1.840% *  0.4483% (0.82  1.00   0.02   0.02) =   0.024%
          HG3   PRO   68 - HB3   PHE   97  15.85 +/- 4.57   1.429% *  0.3344% (0.61  1.00   0.02   0.02) =   0.014%
          HB3   LYS+  38 - HB3   PHE   97  15.53 +/- 3.74   1.026% *  0.3753% (0.69  1.00   0.02   0.02) =   0.011%
          QB    LYS+  33 - HB3   PHE   97  16.13 +/- 2.71   0.798% *  0.4483% (0.82  1.00   0.02   0.02) =   0.010%
          HB3   GLN   30 - HB3   PHE   97  15.25 +/- 3.04   1.285% *  0.2719% (0.50  1.00   0.02   0.02) =   0.010%
          HB3   GLN   90 - HB3   PHE   97  17.48 +/- 3.09   0.546% *  0.4771% (0.87  1.00   0.02   0.02) =   0.007%
          QB    LYS+  81 - HB3   PHE   97  19.64 +/- 3.75   0.456% *  0.4988% (0.91  1.00   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HB3   PHE   97  21.57 +/- 3.58   0.523% *  0.3753% (0.69  1.00   0.02   0.02) =   0.006%
          HB2   MET   92 - HB3   PHE   97  17.63 +/- 1.39   0.495% *  0.1940% (0.36  1.00   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.338, support = 4.14, residual support = 27.9:
          HG12  ILE  103 - HA    LEU   98   3.46 +/- 0.81  58.090% * 54.9538% (0.25   4.90  31.91) =  81.611%  kept
          QB    LYS+ 102 - HA    LEU   98   5.44 +/- 0.54  21.237% * 19.9623% (0.98   0.45   1.93) =  10.838%  kept
          HB    VAL   41 - HA    LEU   98   7.52 +/- 3.15  13.526% * 21.4771% (0.38   1.27  22.02) =   7.427%  kept
          HB2   LEU   71 - HA    LEU   98  13.01 +/- 4.27   1.916% *  0.8984% (1.00   0.02   0.02) =   0.044%
          QB    LYS+  66 - HA    LEU   98  16.54 +/- 3.70   2.157% *  0.5098% (0.57   0.02   0.02) =   0.028%
          HB3   GLN   17 - HA    LEU   98  18.91 +/- 4.16   1.818% *  0.5461% (0.61   0.02   0.02) =   0.025%
          QB    LYS+  65 - HA    LEU   98  16.09 +/- 2.63   0.793% *  0.9004% (1.00   0.02   0.02) =   0.018%
          HG2   PRO   93 - HA    LEU   98  18.32 +/- 1.51   0.463% *  0.7521% (0.84   0.02   0.02) =   0.009%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.7, support = 2.9, residual support = 30.7:
          HA    ILE  103 - HA    LEU   98   2.30 +/- 1.12  77.121% * 76.1721% (0.73   2.96  31.91) =  94.215%  kept
          HA    LEU  104 - HA    LEU   98   5.08 +/- 0.58  18.639% * 19.2556% (0.28   1.95  10.64) =   5.756%  kept
          HA    ASP-  44 - HA    LEU   98  11.81 +/- 1.21   0.835% *  0.6363% (0.90   0.02   0.02) =   0.009%
          HA    ASP-  86 - HA    LEU   98  17.30 +/- 4.36   0.589% *  0.5152% (0.73   0.02   0.02) =   0.005%
          HA    THR   39 - HA    LEU   98  11.87 +/- 4.12   1.313% *  0.1973% (0.28   0.02   0.02) =   0.004%
          HA    SER   85 - HA    LEU   98  18.26 +/- 4.08   0.396% *  0.5926% (0.84   0.02   0.02) =   0.004%
          HB    THR   77 - HA    LEU   98  18.31 +/- 3.34   0.388% *  0.5926% (0.84   0.02   0.02) =   0.004%
          HA    GLU-  14 - HA    LEU   98  22.14 +/- 4.79   0.171% *  0.4590% (0.65   0.02   0.02) =   0.001%
          HA    GLU-  79 - HA    LEU   98  20.48 +/- 3.72   0.276% *  0.2420% (0.34   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  27.40 +/- 4.28   0.084% *  0.6549% (0.92   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  25.88 +/- 4.26   0.096% *  0.5422% (0.76   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  25.73 +/- 2.65   0.091% *  0.1404% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.03, residual support = 6.1:
          HN    ASP- 105 - HA    LEU   98   4.74 +/- 0.68  95.821% * 99.8035% (0.95   4.03   6.10) =  99.991%  kept
          HN    ALA   88 - HA    LEU   98  16.13 +/- 3.79   4.179% *  0.1965% (0.38   0.02   0.02) =   0.009%
    Distance limit 3.98 A violated in 3 structures by 0.79 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.34, residual support = 18.3:
      O   HN    LYS+  99 - HA    LEU   98   2.31 +/- 0.10  96.831% * 99.7964% (0.80  10.0   4.34  18.27) =  99.997%  kept
          HE1   HIS  122 - HA    LEU   98  14.35 +/- 7.03   2.341% *  0.0905% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    LEU   98  14.30 +/- 4.25   0.660% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.28 +/- 4.29   0.168% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 3.76, residual support = 10.6:
          HN    LEU  104 - HA    LEU   98   2.99 +/- 0.68  98.250% * 99.6513% (0.92   3.76  10.64) =  99.994%  kept
          HN    PHE   72 - HA    LEU   98  13.04 +/- 2.66   1.750% *  0.3487% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.03, residual support = 77.1:
      O   HN    LEU   98 - HA    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.03  77.08) = 100.000%  kept
    Distance limit 3.64 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 = 0.468, support = 3.13, residual support = 25.1:
        T HB    VAL   41 - QB    LEU   98   5.23 +/- 2.97  25.322% * 67.1723% (0.42 10.00   2.89  22.02) =  66.311%  kept
          HG12  ILE  103 - QB    LEU   98   2.98 +/- 0.92  43.015% * 17.6256% (0.56  1.00   3.95  31.91) =  29.558%  kept
          HB    ILE  103 - QB    LEU   98   4.90 +/- 0.89  12.416% *  6.8592% (0.60  1.00   1.45  31.91) =   3.320%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.36 +/- 0.89   3.049% *  4.9095% (0.27 10.00   0.23   0.02) =   0.584%  kept
          HB3   ASP- 105 - QB    LEU   98   8.02 +/- 0.74   2.108% *  2.1782% (0.53  1.00   0.52   6.10) =   0.179%  kept
        T QB    LYS+  33 - QB    LEU   98  12.06 +/- 2.83   0.863% *  0.6717% (0.42 10.00   0.02   0.02) =   0.023%
          QB    LYS+  81 - QB    LEU   98  16.66 +/- 4.14  11.324% *  0.0471% (0.30  1.00   0.02   0.02) =   0.021%
          HG3   PRO   68 - QB    LEU   98  15.64 +/- 3.64   0.470% *  0.1002% (0.63  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QB    LEU   98  18.69 +/- 3.52   0.238% *  0.1238% (0.78  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  14.64 +/- 2.69   0.630% *  0.0426% (0.27  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QB    LEU   98  16.27 +/- 2.18   0.271% *  0.0567% (0.36  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QB    LEU   98  21.17 +/- 2.39   0.124% *  0.1238% (0.78  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QB    LEU   98  21.86 +/- 3.11   0.169% *  0.0893% (0.56  1.00   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.96, residual support = 18.3:
          HN    LYS+  99 - QB    LEU   98   3.07 +/- 0.40  91.049% * 97.4262% (0.27   3.96  18.27) =  99.920%  kept
          HN    ASN   35 - QB    LEU   98  11.83 +/- 3.91   3.795% *  1.3318% (0.72   0.02   0.02) =   0.057%
          HE1   HIS  122 - QB    LEU   98  13.58 +/- 5.77   4.130% *  0.3976% (0.22   0.02   0.02) =   0.018%
          HN    ALA   12 - QB    LEU   98  22.22 +/- 3.59   0.358% *  0.5984% (0.33   0.02   0.02) =   0.002%
          HN    GLU-  14 - QB    LEU   98  18.97 +/- 3.49   0.668% *  0.2460% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.97, residual support = 22.0:
          HN    VAL   41 - QB    LEU   98   5.55 +/- 3.54 100.000% *100.0000% (0.85   2.97  22.02) = 100.000%  kept
    Distance limit 4.04 A violated in 7 structures by 1.80 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.87, residual support = 77.1:
      O   HN    LEU   98 - QB    LEU   98   2.85 +/- 0.30 100.000% *100.0000% (0.85  10.0   4.87  77.08) = 100.000%  kept
    Distance limit 3.36 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 = 77.1:
      O   HA    LEU   98 - HG    LEU   98   3.13 +/- 0.45 100.000% *100.0000% (0.69  10.0   4.04  77.08) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.72, residual support = 77.1:
          HN    LEU   98 - HG    LEU   98   3.26 +/- 0.82 100.000% *100.0000% (0.98   3.72  77.08) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.404, support = 3.57, residual support = 25.5:
        T HA    ILE  103 - QD1   LEU   98   2.89 +/- 0.53  76.432% * 25.2777% (0.25 10.00   4.29  31.91) =  69.980%  kept
        T HA    LEU  104 - QD1   LEU   98   6.22 +/- 0.70  11.276% * 73.1835% (0.76 10.00   1.89  10.64) =  29.891%  kept
          HA    ASP-  86 - QD1   LEU   98  12.55 +/- 4.32   2.646% *  1.1809% (1.00  1.00   0.23   0.02) =   0.113%  kept
          HA    ASP-  44 - QD1   LEU   98   9.21 +/- 2.04   4.329% *  0.0417% (0.41  1.00   0.02   0.02) =   0.007%
          HB    THR   77 - QD1   LEU   98  13.94 +/- 3.09   2.615% *  0.0346% (0.34  1.00   0.02   0.02) =   0.003%
          HA    GLU-  14 - QD1   LEU   98  18.75 +/- 3.83   0.639% *  0.1011% (1.00  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QD1   LEU   98  13.53 +/- 3.85   1.524% *  0.0346% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ALA   12 - QD1   LEU   98  21.64 +/- 3.60   0.302% *  0.1005% (0.99  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   LEU   98  22.78 +/- 3.70   0.236% *  0.0454% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.54 +/- 3.61  31.140% * 33.8723% (0.84   0.02   0.02) =  39.283%  kept
          QD    PHE   59 - QD1   LEU   98  12.54 +/- 2.29  25.734% * 33.8723% (0.84   0.02   0.02) =  32.464%  kept
          HE21  GLN   30 - QD1   LEU   98  11.85 +/- 3.29  30.294% * 19.7390% (0.49   0.02   0.02) =  22.271%  kept
          HH2   TRP   49 - QD1   LEU   98  18.47 +/- 3.64  12.833% * 12.5164% (0.31   0.02   0.02) =   5.982%  kept
    Distance limit 3.61 A violated in 20 structures by 5.03 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.29, residual support = 18.6:
        T QD1   LEU  104 - HB2   LYS+  99   2.36 +/- 0.50  93.099% * 98.4796% (0.69 10.00   3.29  18.65) =  99.982%  kept
        T QD1   LEU   63 - HB2   LYS+  99  13.04 +/- 3.65   2.858% *  0.2212% (0.15 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   73 - HB2   LYS+  99  12.54 +/- 2.84   2.222% *  0.2212% (0.15 10.00   0.02   0.02) =   0.005%
        T QG2   ILE   89 - HB2   LYS+  99  15.73 +/- 2.17   0.483% *  0.8117% (0.57 10.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB2   LYS+  99  16.91 +/- 3.40   0.540% *  0.1430% (1.00  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   LYS+  99  15.22 +/- 0.97   0.497% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  19.40 +/- 3.82   0.301% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.28, residual support = 9.13:
        T QD2   LEU   40 - HB2   LYS+  99   5.16 +/- 4.52  47.958% * 91.7754% (0.95 10.00   2.32   9.41) =  96.901%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.75 +/- 0.84  18.829% *  6.3125% (1.00  1.00   1.30   0.41) =   2.617%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.76 +/- 0.96  12.690% *  1.5971% (0.49  1.00   0.68   0.41) =   0.446%  kept
          QD1   LEU   67 - HB2   LYS+  99  11.83 +/- 4.21  13.699% *  0.0936% (0.97  1.00   0.02   0.02) =   0.028%
          QD2   LEU   71 - HB2   LYS+  99  11.05 +/- 3.62   3.876% *  0.0588% (0.61  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HB2   LYS+  99  19.10 +/- 2.13   0.731% *  0.0962% (0.99  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - HB2   LYS+  99  15.50 +/- 1.37   1.161% *  0.0364% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  15.33 +/- 3.66   1.056% *  0.0299% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 1 structures by 0.32 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.81, residual support = 174.5:
      O   HN    LYS+  99 - HB2   LYS+  99   3.20 +/- 0.34  88.318% * 99.4797% (0.31  10.0   4.81 174.58) =  99.980%  kept
          HN    ASN   35 - HB2   LYS+  99  13.14 +/- 4.47   4.320% *  0.2692% (0.84   1.0   0.02   0.02) =   0.013%
          HE1   HIS  122 - HB2   LYS+  99  14.20 +/- 7.59   5.656% *  0.0804% (0.25   1.0   0.02   0.02) =   0.005%
          HN    GLU-  14 - HB2   LYS+  99  20.75 +/- 5.80   1.234% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   LYS+  99  24.66 +/- 5.36   0.472% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 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 = 5.23, residual support = 174.6:
      O   HN    LYS+  99 - HA    LYS+  99   2.90 +/- 0.03  90.073% * 99.7964% (0.80  10.0   5.23 174.58) =  99.992%  kept
          HE1   HIS  122 - HA    LYS+  99  15.16 +/- 7.33   5.690% *  0.0905% (0.73   1.0   0.02   0.02) =   0.006%
          HN    ASN   35 - HA    LYS+  99  11.66 +/- 4.64   3.447% *  0.0425% (0.34   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  99  19.49 +/- 5.38   0.791% *  0.0706% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 39.1:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.05 100.000% *100.0000% (0.84  10.0   6.83  39.15) = 100.000%  kept
    Distance limit 2.99 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 = 0.812, support = 5.17, residual support = 185.7:
      O   QE    LYS+  99 - HG2   LYS+  99   2.74 +/- 0.52  40.937% * 79.1619% (0.99  10.0   5.36 174.58) =  75.521%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.47 +/- 0.38  50.999% * 20.5905% (0.26  10.0   4.58 219.92) =  24.471%  kept
          QE    LYS+  38 - HG2   LYS+  99   9.80 +/- 4.82   1.952% *  0.0756% (0.95   1.0   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HG2   LYS+  99   8.94 +/- 1.25   1.407% *  0.0610% (0.76   1.0   0.02   1.51) =   0.002%
          QE    LYS+  99 - HG2   LYS+  38  10.00 +/- 4.88   2.083% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   9.07 +/- 0.86   1.254% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  16.53 +/- 3.77   0.521% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  15.38 +/- 5.78   0.404% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  16.92 +/- 1.96   0.214% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.37 +/- 3.34   0.230% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.834, support = 7.04, residual support = 174.2:
      O T HA    LYS+  99 - HG2   LYS+  99   2.82 +/- 0.36  48.713% * 98.1698% (0.84  10.0 10.00   7.06 174.58) =  99.783%  kept
          HA    LEU   40 - HG2   LYS+  99   7.00 +/- 5.62   9.794% *  0.8629% (0.57   1.0  1.00   0.26   9.41) =   0.176%  kept
          HA    ASN   35 - HG2   LYS+  38   4.42 +/- 1.56  28.279% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.018%
        T HA    LYS+  99 - HG2   LYS+  38  11.14 +/- 5.54   1.637% *  0.2675% (0.23   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASN   35 - HG2   LYS+  99  11.25 +/- 5.70   3.721% *  0.1112% (0.95   1.0  1.00   0.02   0.02) =   0.009%
          HA    GLU-  15 - HG2   LYS+  99  17.13 +/- 5.47   1.157% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   LYS+  38   7.83 +/- 0.64   2.434% *  0.0181% (0.15   1.0  1.00   0.02   0.76) =   0.001%
          HA    LEU  123 - HG2   LYS+  99  20.23 +/- 7.38   0.299% *  0.1173% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   LYS+  99  21.26 +/- 6.13   0.647% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   LYS+  38  13.45 +/- 3.82   1.370% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  16.51 +/- 4.93   1.010% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.81 +/- 3.47   0.088% *  0.1134% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  22.32 +/- 4.83   0.284% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.04 +/- 3.43   0.164% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.29 +/- 2.23   0.091% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.52 +/- 4.23   0.094% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  24.16 +/- 3.92   0.153% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  28.84 +/- 3.20   0.063% *  0.0156% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.113, support = 4.75, residual support = 17.6:
          HA    SER   37 - HA    LYS+  38   5.19 +/- 0.07  26.513% * 42.8788% (0.05  1.00   5.54  20.63) =  85.191%  kept
          HA    LEU   40 - HA    LYS+  38   6.26 +/- 0.50  16.077% *  4.6341% (0.05  1.00   0.57   0.76) =   5.583%  kept
          HA    LEU   40 - HA    GLU- 100   8.38 +/- 5.70  19.785% *  2.6862% (0.80  1.00   0.02   0.02) =   3.983%  kept
          HA    SER   37 - HA    GLU- 100  12.25 +/- 7.04  10.501% *  2.5638% (0.76  1.00   0.02   0.02) =   2.018%  kept
          HA    GLN   17 - HA    GLU- 100  18.09 +/- 5.55   6.966% *  2.5638% (0.76  1.00   0.02   0.02) =   1.338%  kept
        T HA    PRO   58 - HA    GLU- 100  24.31 +/- 2.78   0.294% * 30.9679% (0.92 10.00   0.02   0.02) =   0.682%  kept
          HA    GLU-  15 - HA    GLU- 100  17.35 +/- 5.55   2.075% *  3.1734% (0.95  1.00   0.02   0.02) =   0.493%  kept
          HA    SER   13 - HA    GLU- 100  21.08 +/- 5.75   0.941% *  3.1734% (0.95  1.00   0.02   0.02) =   0.224%  kept
          HA    VAL   42 - HA    GLU- 100  11.60 +/- 3.15   3.178% *  0.7469% (0.22  1.00   0.02   0.02) =   0.178%  kept
        T HA    PRO   58 - HA    LYS+  38  23.19 +/- 3.33   0.566% *  1.8713% (0.06 10.00   0.02   0.02) =   0.079%
          HA    THR   46 - HA    GLU- 100  23.14 +/- 1.52   0.320% *  2.8021% (0.84  1.00   0.02   0.02) =   0.067%
          HA    GLU-  15 - HA    LYS+  38  12.44 +/- 3.31   3.966% *  0.1918% (0.06  1.00   0.02   0.02) =   0.057%
          HA    SER   13 - HA    LYS+  38  15.77 +/- 4.51   3.222% *  0.1918% (0.06  1.00   0.02   0.02) =   0.046%
          HA    LEU  123 - HA    GLU- 100  23.46 +/- 6.69   0.440% *  0.6639% (0.20  1.00   0.02   0.02) =   0.022%
          HA    GLN   17 - HA    LYS+  38  14.80 +/- 2.37   1.503% *  0.1549% (0.05  1.00   0.02   0.02) =   0.017%
          HA    ILE   56 - HA    GLU- 100  27.04 +/- 2.95   0.219% *  0.4540% (0.14  1.00   0.02   0.02) =   0.007%
          HA    VAL   42 - HA    LYS+  38  12.41 +/- 0.67   1.996% *  0.0451% (0.01  1.00   0.02   0.02) =   0.007%
          HA    THR   46 - HA    LYS+  38  24.26 +/- 1.80   0.302% *  0.1693% (0.05  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HA    LYS+  38  21.78 +/- 4.94   0.763% *  0.0401% (0.01  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HA    LYS+  38  26.52 +/- 3.77   0.374% *  0.0274% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.82 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   3.29 +/- 0.51  88.741% * 99.9940% (1.00  10.0   3.86  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38  10.76 +/- 6.02  11.259% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.37, residual support = 75.5:
      O   HN    GLU- 100 - HA    GLU- 100   2.27 +/- 0.12  85.441% * 99.9940% (0.84  10.0   6.37  75.52) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   8.79 +/- 6.25  14.559% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 2.97 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 = 0.838, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  14.87 +/- 5.38   9.448% * 28.3278% (1.00 10.00   0.02   0.02) =  32.708%  kept
        T HA    GLU-  29 - HB2   GLU- 100  17.21 +/- 4.36   9.262% * 27.8286% (0.98 10.00   0.02   0.02) =  31.499%  kept
        T HA    GLN   32 - HB2   GLU- 100  14.19 +/- 5.61  15.117% *  8.7627% (0.31 10.00   0.02   0.02) =  16.189%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.71 +/- 2.31   2.669% * 23.7140% (0.84 10.00   0.02   0.02) =   7.734%  kept
          HA    VAL   70 - HB2   GLU- 100  14.45 +/- 5.43  13.628% *  2.3714% (0.84  1.00   0.02   0.02) =   3.949%  kept
          HA    VAL   18 - HB2   GLU- 100  17.88 +/- 3.87   9.004% *  2.7399% (0.97  1.00   0.02   0.02) =   3.015%  kept
          HB2   SER   82 - HB2   GLU- 100  26.89 +/- 5.39   5.640% *  2.6208% (0.92  1.00   0.02   0.02) =   1.806%  kept
          HB2   SER   37 - HB2   GLU- 100  12.25 +/- 6.94  23.182% *  0.5618% (0.20  1.00   0.02   0.02) =   1.592%  kept
          HA    ALA   88 - HB2   GLU- 100  23.57 +/- 4.01   6.681% *  0.9684% (0.34  1.00   0.02   0.02) =   0.791%  kept
          HA    SER   48 - HB2   GLU- 100  28.33 +/- 3.14   2.881% *  1.6074% (0.57  1.00   0.02   0.02) =   0.566%  kept
          HD2   PRO   52 - HB2   GLU- 100  29.75 +/- 2.95   2.489% *  0.4972% (0.18  1.00   0.02   0.02) =   0.151%  kept
    Distance limit 3.44 A violated in 17 structures by 5.08 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 5.23, residual support = 39.0:
          HG2   LYS+  99 - HG2   GLU- 100   3.39 +/- 1.45  58.829% * 97.4831% (0.45   5.25  39.15) =  99.680%  kept
          HG2   LYS+  38 - HG2   GLU- 100   9.60 +/- 7.59  36.594% *  0.4689% (0.57   0.02   0.02) =   0.298%  kept
          HB2   LEU   31 - HG2   GLU- 100  13.26 +/- 4.71   2.997% *  0.1451% (0.18   0.02   0.02) =   0.008%
          QB    ALA   88 - HG2   GLU- 100  19.05 +/- 3.23   0.501% *  0.7428% (0.90   0.02   0.02) =   0.006%
          QG2   THR   77 - HG2   GLU- 100  19.64 +/- 1.97   0.370% *  0.8118% (0.98   0.02   0.02) =   0.005%
          QG2   THR   23 - HG2   GLU- 100  19.09 +/- 3.90   0.575% *  0.1639% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG2   GLU- 100  28.22 +/- 3.66   0.134% *  0.1844% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 4.07, residual support = 39.0:
          HG2   LYS+  99 - HG3   GLU- 100   3.24 +/- 0.91  64.117% * 96.7888% (0.45   4.09  39.15) =  99.679%  kept
          HG2   LYS+  38 - HG3   GLU- 100  10.04 +/- 7.63  30.389% *  0.5983% (0.57   0.02   0.02) =   0.292%  kept
          HB2   LEU   31 - HG3   GLU- 100  13.88 +/- 4.60   3.904% *  0.1851% (0.18   0.02   0.02) =   0.012%
          QB    ALA   88 - HG3   GLU- 100  19.10 +/- 3.59   0.524% *  0.9477% (0.90   0.02   0.02) =   0.008%
          QG2   THR   77 - HG3   GLU- 100  19.73 +/- 2.03   0.426% *  1.0358% (0.98   0.02   0.02) =   0.007%
          QG2   THR   23 - HG3   GLU- 100  19.44 +/- 3.74   0.503% *  0.2091% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG3   GLU- 100  27.95 +/- 3.55   0.137% *  0.2353% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.45, residual support = 75.5:
      O   HA    GLU- 100 - HG3   GLU- 100   3.37 +/- 0.53  77.047% * 99.7364% (1.00  10.0   4.45  75.52) =  99.993%  kept
          HA    LYS+  38 - HG3   GLU- 100   9.17 +/- 7.18  22.153% *  0.0198% (0.20   1.0   0.02   0.02) =   0.006%
          HA    VAL   83 - HG3   GLU- 100  23.57 +/- 4.52   0.352% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  26.59 +/- 3.48   0.240% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.26 +/- 2.77   0.208% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.26, residual support = 75.5:
          HN    GLU- 100 - HG3   GLU- 100   3.46 +/- 0.67 100.000% *100.0000% (0.97   4.26  75.52) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.46, residual support = 75.5:
          HN    GLU- 100 - HG2   GLU- 100   3.19 +/- 0.79 100.000% *100.0000% (0.84   6.46  75.52) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 160.2:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.57 +/- 0.17  89.439% * 99.6342% (1.00  10.0   4.81 160.24) =  99.995%  kept
          HN    LYS+ 102 - HB    VAL   41  10.34 +/- 3.43   2.507% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB    VAL   41   8.10 +/- 0.88   3.531% *  0.0272% (0.27   1.0   0.02   0.31) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  15.87 +/- 4.85   0.620% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - QB    LYS+ 102  13.65 +/- 4.48   0.951% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB    VAL   41  11.22 +/- 1.58   1.262% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  16.32 +/- 4.61   0.689% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  14.75 +/- 4.26   1.000% *  0.0290% (0.29   1.0   0.02   0.35) =   0.000%
    Distance limit 3.26 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 = 23.4:
          HN    ILE  103 - QB    LYS+ 102   2.91 +/- 0.38  93.726% * 98.9475% (1.00   5.46  23.36) =  99.989%  kept
          HN    ILE  103 - HB    VAL   41  10.46 +/- 2.99   3.308% *  0.1628% (0.45   0.02   0.02) =   0.006%
          HN    GLN   90 - QB    LYS+ 102  18.23 +/- 3.10   0.541% *  0.3427% (0.95   0.02   0.02) =   0.002%
          HN    GLY  109 - QB    LYS+ 102  17.57 +/- 0.89   0.482% *  0.1906% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  17.52 +/- 2.23   0.541% *  0.1540% (0.43   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  21.68 +/- 4.77   0.481% *  0.0806% (0.22   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  19.05 +/- 2.40   0.409% *  0.0856% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  20.23 +/- 4.53   0.512% *  0.0362% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.55, residual support = 159.8:
          HN    LYS+ 102 - HG2   LYS+ 102   3.60 +/- 0.36  88.489% * 95.6573% (0.73   4.57 160.24) =  99.692%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.76 +/- 1.29   6.614% *  3.8238% (0.38   0.35   0.02) =   0.298%  kept
          HN    GLU-  36 - HG2   LYS+ 102  17.52 +/- 5.91   1.586% *  0.3036% (0.53   0.02   0.02) =   0.006%
          HN    THR   39 - HG2   LYS+ 102  15.47 +/- 5.29   2.234% *  0.1011% (0.18   0.02   0.02) =   0.003%
          HD1   TRP   87 - HG2   LYS+ 102  18.69 +/- 5.40   1.077% *  0.1142% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.643, support = 0.02, residual support = 0.0234:
        T QB    SER   85 - HA    ILE  103  17.46 +/- 4.01   5.368% * 19.9520% (0.90 10.00   0.02   0.02) =  29.349%  kept
        T QB    SER  117 - HA    ILE  103  14.91 +/- 2.22   7.530% *  7.5887% (0.34 10.00   0.02   0.02) =  15.659%  kept
        T QB    SER   48 - HA    ILE  103  21.15 +/- 2.89   2.494% * 19.2979% (0.87 10.00   0.02   0.02) =  13.188%  kept
        T HA2   GLY   51 - HA    ILE  103  25.90 +/- 2.94   1.318% * 13.4936% (0.61 10.00   0.02   0.02) =   4.875%  kept
          HB    THR   94 - HA    ILE  103  13.27 +/- 0.99   9.871% *  1.7002% (0.76  1.00   0.02   0.02) =   4.599%  kept
          HA    LYS+ 121 - HA    ILE  103  15.94 +/- 5.76  10.271% *  1.5282% (0.69  1.00   0.02   0.02) =   4.301%  kept
        T QB    SER   85 - HA    THR   39  24.06 +/- 3.04   2.034% *  6.5917% (0.30 10.00   0.02   0.02) =   3.674%  kept
          HA2   GLY   16 - HA    THR   39  11.42 +/- 3.35  18.279% *  0.6592% (0.30  1.00   0.02   0.12) =   3.302%  kept
          HA    ALA  120 - HA    ILE  103  18.43 +/- 4.39   4.854% *  2.2050% (0.99  1.00   0.02   0.02) =   2.933%  kept
        T HD2   PRO   52 - HA    ILE  103  23.45 +/- 2.91   1.748% *  5.5474% (0.25 10.00   0.02   0.02) =   2.658%  kept
        T QB    SER   48 - HA    THR   39  24.60 +/- 2.22   1.494% *  6.3756% (0.29 10.00   0.02   0.02) =   2.611%  kept
        T QB    SER  117 - HA    THR   39  20.15 +/- 2.80   3.604% *  2.5072% (0.11 10.00   0.02   0.02) =   2.476%  kept
          HA    LYS+  65 - HA    ILE  103  18.16 +/- 2.38   4.500% *  1.8582% (0.84  1.00   0.02   0.02) =   2.292%  kept
        T HA2   GLY   51 - HA    THR   39  29.13 +/- 4.43   1.722% *  4.4580% (0.20 10.00   0.02   0.02) =   2.104%  kept
          HA2   GLY   16 - HA    ILE  103  20.72 +/- 4.17   3.717% *  1.9952% (0.90  1.00   0.02   0.02) =   2.032%  kept
          HA    LYS+  65 - HA    THR   39  15.51 +/- 1.67   6.330% *  0.6139% (0.28  1.00   0.02   0.02) =   1.065%  kept
          HA    ALA  120 - HA    THR   39  20.24 +/- 4.84   4.737% *  0.7285% (0.33  1.00   0.02   0.02) =   0.946%  kept
          HA    LYS+ 121 - HA    THR   39  18.52 +/- 5.23   5.870% *  0.5049% (0.23  1.00   0.02   0.02) =   0.812%  kept
        T HD2   PRO   52 - HA    THR   39  27.50 +/- 2.86   1.343% *  1.8327% (0.08 10.00   0.02   0.02) =   0.675%  kept
          HB    THR   94 - HA    THR   39  19.96 +/- 1.00   2.914% *  0.5617% (0.25  1.00   0.02   0.02) =   0.449%  kept
    Distance limit 3.17 A violated in 20 structures by 5.60 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.58, residual support = 38.6:
      O   HN    LEU  104 - HA    ILE  103   2.37 +/- 0.21  96.409% * 99.8797% (0.92  10.0   6.58  38.63) =  99.999%  kept
          HN    PHE   72 - HA    ILE  103  14.25 +/- 2.63   0.921% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HN    PHE   72 - HA    THR   39   9.52 +/- 1.64   1.859% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  13.36 +/- 4.00   0.810% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.349, support = 3.74, residual support = 35.9:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.04  75.208% * 71.3106% (0.33  10.0   3.73  36.81) =  93.198%  kept
          HN    LYS+ 102 - HA    ILE  103   5.05 +/- 0.26  14.120% * 27.6529% (0.65   1.0   3.93  23.36) =   6.785%  kept
          HN    THR   39 - HA    ILE  103  13.95 +/- 3.90   0.939% *  0.2158% (0.99   1.0   0.02   0.02) =   0.004%
          HN    GLU-  36 - HA    THR   39   8.29 +/- 0.55   3.280% *  0.0601% (0.28   1.0   0.02   0.78) =   0.003%
          HD1   TRP   87 - HA    ILE  103  14.87 +/- 4.22   0.844% *  0.2173% (1.00   1.0   0.02   0.42) =   0.003%
          HN    TRP   27 - HA    ILE  103  17.63 +/- 4.45   1.155% *  0.1060% (0.49   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    ILE  103  16.95 +/- 4.00   0.501% *  0.1819% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    THR   39  12.66 +/- 5.02   1.678% *  0.0465% (0.21   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    THR   39  21.35 +/- 3.68   0.256% *  0.0718% (0.33   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.19 +/- 1.94   0.504% *  0.0350% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.61 +/- 2.26   0.379% *  0.0431% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  17.32 +/- 2.70   0.486% *  0.0336% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.03 +/- 2.65   0.524% *  0.0111% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  24.83 +/- 1.96   0.126% *  0.0142% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 4.29, residual support = 31.9:
        T QD1   LEU   98 - HA    ILE  103   2.89 +/- 0.53  87.181% * 99.6453% (0.41 10.00   4.29  31.91) =  99.985%  kept
          QG2   ILE   19 - HA    ILE  103  14.78 +/- 3.23   2.574% *  0.2418% (1.00  1.00   0.02   0.02) =   0.007%
          QG2   ILE   19 - HA    THR   39  10.72 +/- 2.47   6.452% *  0.0799% (0.33  1.00   0.02   0.02) =   0.006%
          QD1   LEU   98 - HA    THR   39  11.00 +/- 3.39   3.793% *  0.0329% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.454, support = 2.72, residual support = 7.97:
          HN    ASP- 105 - QG2   ILE  103   2.56 +/- 0.69  86.242% * 28.3205% (0.38   2.55   3.53) =  77.616%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.34 +/- 0.20   9.892% * 71.1483% (0.73   3.32  23.36) =  22.366%  kept
          HN    GLU-  36 - QG2   ILE  103  16.21 +/- 2.84   0.787% *  0.3108% (0.53   0.02   0.02) =   0.008%
          HD1   TRP   87 - QG2   ILE  103  11.80 +/- 3.24   1.918% *  0.1169% (0.20   0.02   0.42) =   0.007%
          HN    THR   39 - QG2   ILE  103  13.67 +/- 2.67   1.161% *  0.1035% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.58, residual support = 38.6:
          HN    LEU  104 - QG2   ILE  103   2.29 +/- 0.49  99.208% * 99.9407% (0.90   6.58  38.63) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.02 +/- 2.15   0.792% *  0.0593% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 6.74, residual support = 138.8:
      O   HN    ILE  103 - HB    ILE  103   2.32 +/- 0.40  98.744% * 99.8308% (1.00  10.0   6.74 138.84) =  99.999%  kept
          HN    GLN   90 - HB    ILE  103  16.05 +/- 3.28   0.527% *  0.0944% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    ILE  103  15.05 +/- 0.91   0.463% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  21.12 +/- 4.56   0.265% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.217, support = 5.94, residual support = 134.7:
      O T HA    ILE  103 - HG12  ILE  103   2.31 +/- 0.29  89.974% * 56.1755% (0.20  10.0 10.00   5.98 138.84) =  95.830%  kept
          HA    LEU  104 - HG12  ILE  103   6.24 +/- 0.20   5.126% * 42.8044% (0.61   1.0  1.00   4.97  38.63) =   4.160%  kept
          HB    THR   77 - HG12  ILE  103  17.02 +/- 3.93   2.521% *  0.0768% (0.27   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASP-  86 - HG12  ILE  103  15.44 +/- 5.00   0.645% *  0.2248% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP-  44 - HG12  ILE  103  11.40 +/- 1.57   0.961% *  0.0926% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HG12  ILE  103  16.33 +/- 4.45   0.480% *  0.0768% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG12  ILE  103  23.93 +/- 4.15   0.150% *  0.2248% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HG12  ILE  103  27.53 +/- 4.08   0.080% *  0.2233% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  28.97 +/- 4.21   0.062% *  0.1010% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.8:
          HN    ILE  103 - HG12  ILE  103   3.21 +/- 0.57  96.652% * 99.5126% (0.80   6.92 138.84) =  99.994%  kept
          HN    GLN   90 - HG12  ILE  103  15.08 +/- 3.29   1.393% *  0.2721% (0.76   0.02   0.02) =   0.004%
          HN    GLY  109 - HG12  ILE  103  14.98 +/- 0.94   1.273% *  0.1513% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  19.62 +/- 4.64   0.681% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.8:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  98.154% * 99.2748% (0.58  10.0 10.00   4.30 138.84) =  99.998%  kept
        T HB3   LEU   71 - HG12  ILE  103  15.52 +/- 3.83   0.246% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HG12  ILE  103   8.78 +/- 0.92   0.861% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.26 +/- 0.98   0.536% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  19.98 +/- 2.94   0.118% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  20.07 +/- 2.89   0.085% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.587, support = 5.02, residual support = 138.8:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  66.247% * 32.5765% (0.39  10.0 10.00   4.62 138.84) =  51.769%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.86 +/- 0.28  30.103% * 66.7776% (0.80  10.0 10.00   5.45 138.84) =  48.222%  kept
        T QD2   LEU   71 - HG12  ILE  103  13.48 +/- 2.75   0.422% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HG12  ILE  103   8.25 +/- 3.08   2.033% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HG12  ILE  103  13.04 +/- 2.87   0.470% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  18.01 +/- 2.53   0.150% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.28 +/- 2.14   0.365% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.69 +/- 2.59   0.210% *  0.0207% (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 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.75, residual support = 31.9:
          QD1   LEU   98 - HG12  ILE  103   2.17 +/- 0.42  98.818% * 99.7499% (0.72   5.75  31.91) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  14.67 +/- 3.06   1.182% *  0.2501% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.745, support = 4.08, residual support = 138.8:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  56.522% * 82.5087% (0.84  10.0   3.97 138.84) =  86.281%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.44 +/- 0.41  42.861% * 17.2996% (0.18  10.0   4.81 138.84) =  13.718%  kept
          QD2   LEU   71 - HG13  ILE  103  14.12 +/- 2.70   0.320% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  15.65 +/- 2.53   0.175% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.23 +/- 2.40   0.121% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 2.38, residual support = 31.9:
          QD1   LEU   98 - HG13  ILE  103   2.81 +/- 0.68  98.982% * 99.3965% (0.90   2.38  31.91) =  99.994%  kept
          QG2   ILE   19 - HG13  ILE  103  15.24 +/- 3.18   1.018% *  0.6035% (0.65   0.02   0.02) =   0.006%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.652, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  13.94 +/- 3.11  25.642% * 30.1124% (0.77   0.02   0.02) =  33.189%  kept
          HD1   TRP   27 - QD1   ILE  103  13.05 +/- 3.88  31.361% * 17.5479% (0.45   0.02   0.02) =  23.654%  kept
          HH2   TRP   49 - QD1   ILE  103  18.45 +/- 4.04  14.472% * 34.7918% (0.89   0.02   0.02) =  21.641%  kept
          QD    PHE   59 - QD1   ILE  103  12.84 +/- 2.09  28.525% * 17.5479% (0.45   0.02   0.02) =  21.515%  kept
    Distance limit 4.07 A violated in 19 structures by 5.76 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.548, support = 0.364, residual support = 0.409:
          HE3   TRP   87 - QD1   ILE  103   7.97 +/- 5.25  41.073% * 55.9991% (0.52   0.41   0.42) =  80.376%  kept
          HN    TRP   87 - QD1   ILE  103  10.76 +/- 4.47  13.550% * 34.1417% (0.67   0.20   0.42) =  16.166%  kept
          HD21  ASN   69 - QD1   ILE  103  15.55 +/- 2.83  11.157% *  3.2955% (0.63   0.02   0.02) =   1.285%  kept
          HN    GLN   17 - QD1   ILE  103  17.65 +/- 2.78   7.290% *  4.1616% (0.80   0.02   0.02) =   1.060%  kept
          HN    ALA   91 - QD1   ILE  103  13.03 +/- 2.62  15.340% *  1.0681% (0.21   0.02   0.02) =   0.573%  kept
          HN    ALA   61 - QD1   ILE  103  15.31 +/- 2.51  11.591% *  1.3339% (0.26   0.02   0.02) =   0.540%  kept
    Distance limit 3.72 A violated in 12 structures by 3.06 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 138.8:
          HN    ILE  103 - QD1   ILE  103   2.90 +/- 0.75  91.742% * 99.4064% (0.92   5.68 138.84) =  99.980%  kept
          HN    GLN   90 - QD1   ILE  103  12.09 +/- 3.23   3.624% *  0.3313% (0.87   0.02   0.02) =   0.013%
          HN    GLY  109 - QD1   ILE  103  12.28 +/- 1.07   2.339% *  0.1843% (0.49   0.02   0.02) =   0.005%
          HN    SER   82 - QD1   ILE  103  16.02 +/- 4.36   2.295% *  0.0780% (0.21   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 5.38, residual support = 137.9:
      O   HA    ILE  103 - HG13  ILE  103   3.18 +/- 0.37  75.447% * 92.0144% (0.73  10.0   5.40 138.84) =  99.031%  kept
          HA    LEU  104 - HG13  ILE  103   6.59 +/- 0.35   9.274% *  7.1689% (0.28   1.0   4.07  38.63) =   0.948%  kept
          HB    THR   77 - HG13  ILE  103  16.54 +/- 3.80   7.468% *  0.1058% (0.84   1.0   0.02   0.02) =   0.011%
          HA    ASP-  44 - HG13  ILE  103  11.28 +/- 1.31   2.314% *  0.1136% (0.90   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HG13  ILE  103  14.80 +/- 4.90   1.486% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HG13  ILE  103  15.59 +/- 4.13   1.028% *  0.1058% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HG13  ILE  103  19.30 +/- 4.01   1.223% *  0.0432% (0.34   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HG13  ILE  103  15.26 +/- 3.26   0.958% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.77 +/- 4.16   0.221% *  0.0820% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  28.48 +/- 4.19   0.134% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  29.96 +/- 4.25   0.110% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.49 +/- 3.03   0.338% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 138.8:
          HN    ILE  103 - HG13  ILE  103   3.71 +/- 0.64  94.177% * 99.4589% (1.00   6.23 138.84) =  99.987%  kept
          HN    GLN   90 - HG13  ILE  103  14.25 +/- 3.11   2.534% *  0.3020% (0.95   0.02   0.02) =   0.008%
          HN    GLY  109 - HG13  ILE  103  14.01 +/- 0.95   2.274% *  0.1680% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  19.14 +/- 4.26   1.015% *  0.0711% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.47, residual support = 138.8:
          HN    ILE  103 - QG2   ILE  103   3.59 +/- 0.18  90.951% * 99.2518% (0.69   6.47 138.84) =  99.974%  kept
          HN    GLY  109 - QG2   ILE  103  11.12 +/- 0.61   3.238% *  0.4312% (0.97   0.02   0.02) =   0.015%
          HN    GLN   90 - QG2   ILE  103  12.40 +/- 2.48   3.068% *  0.2175% (0.49   0.02   0.02) =   0.007%
          HE1   HIS   22 - QG2   ILE  103  19.29 +/- 3.94   2.743% *  0.0995% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.4:
          HA    LYS+ 102 - HB    ILE  103   4.52 +/- 0.19  95.105% * 98.7661% (0.38   4.78  23.36) =  99.967%  kept
          HA    ALA   20 - HB    ILE  103  20.09 +/- 3.13   2.531% *  1.0161% (0.92   0.02   0.02) =   0.027%
          HA    LEU   71 - HB    ILE  103  17.22 +/- 2.82   2.364% *  0.2178% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.15 A violated in 0 structures by 0.38 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.63, residual support = 15.7:
        T HB2   PHE   97 - HB2   LEU  104   3.42 +/- 1.30  56.000% * 93.1791% (0.82 10.00   4.69  15.98) =  98.323%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.78 +/- 1.06  13.096% *  5.1668% (0.78  1.00   1.17   0.02) =   1.275%  kept
          HB3   TRP   27 - HB2   LEU  104  16.78 +/- 5.14  13.395% *  1.5580% (0.80  1.00   0.34   0.73) =   0.393%  kept
          QE    LYS+  99 - HB2   LEU  104   6.19 +/- 1.20  16.740% *  0.0246% (0.22  1.00   0.02  18.65) =   0.008%
          HB3   PHE   60 - HB2   LEU  104  16.00 +/- 3.10   0.770% *  0.0715% (0.63  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.36, residual support = 35.4:
          HN    ASP- 105 - HB2   LEU  104   2.88 +/- 0.67  99.160% * 99.8754% (0.82   6.36  35.36) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  18.19 +/- 2.81   0.840% *  0.1246% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 215.1:
      O   HN    LEU  104 - HB2   LEU  104   2.94 +/- 0.34  98.655% * 99.7579% (0.36  10.0   7.38 215.12) =  99.997%  kept
          HN    PHE   72 - HB2   LEU  104  14.03 +/- 3.67   1.345% *  0.2421% (0.87   1.0   0.02   0.02) =   0.003%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.88, residual support = 215.1:
      O   HN    LEU  104 - HB3   LEU  104   3.62 +/- 0.32  97.878% * 99.9343% (0.71  10.0   6.88 215.12) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  14.88 +/- 3.58   2.122% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.45, residual support = 215.1:
          HN    LEU  104 - HG    LEU  104   2.82 +/- 0.73  98.626% * 99.8239% (0.92   7.45 215.12) =  99.998%  kept
          HN    PHE   72 - HG    LEU  104  13.99 +/- 3.19   1.374% *  0.1761% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.71, residual support = 18.6:
          HN    LYS+  99 - HG    LEU  104   3.43 +/- 0.54  83.734% * 96.7656% (0.98   1.71  18.65) =  99.796%  kept
          HE1   HIS  122 - HG    LEU  104  13.63 +/- 7.47  12.359% *  1.1519% (1.00   0.02   0.02) =   0.175%  kept
          HN    GLN   30 - HG    LEU  104  16.93 +/- 4.31   2.741% *  0.5176% (0.45   0.02   0.02) =   0.017%
          HN    GLU-  14 - HG    LEU  104  22.87 +/- 5.23   0.544% *  1.1316% (0.98   0.02   0.02) =   0.008%
          HN    ASP-  86 - HG    LEU  104  19.91 +/- 3.69   0.621% *  0.4333% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.383, support = 6.71, residual support = 204.5:
          HN    LEU  104 - QD1   LEU  104   3.67 +/- 0.65  63.652% * 73.8107% (0.40   6.88 215.12) =  93.973%  kept
          HN    PHE   72 - QD1   LEU   73   6.76 +/- 0.54  12.264% * 21.5632% (0.18   4.50  42.98) =   5.290%  kept
          HN    PHE   72 - QD1   LEU   63   8.21 +/- 1.14   8.582% *  4.0267% (0.18   0.84  16.34) =   0.691%  kept
          HN    PHE   72 - QD1   LEU  104  10.85 +/- 3.29   3.559% *  0.5204% (0.96   0.02   0.02) =   0.037%
          HN    LEU  104 - QD1   LEU   73  12.69 +/- 3.18   6.548% *  0.0395% (0.07   0.02   0.02) =   0.005%
          HN    LEU  104 - QD1   LEU   63  12.39 +/- 3.51   5.394% *  0.0395% (0.07   0.02   0.02) =   0.004%
    Distance limit 3.97 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.29, residual support = 18.6:
        T HB2   LYS+  99 - QD1   LEU  104   2.36 +/- 0.50  79.868% * 97.1108% (0.40 10.00   3.29  18.65) =  99.939%  kept
        T HB    VAL   43 - QD1   LEU  104   9.84 +/- 2.00   2.470% *  1.2428% (0.51 10.00   0.02   0.02) =   0.040%
        T HB    ILE   89 - QD1   LEU  104  14.75 +/- 2.29   0.544% *  1.0590% (0.43 10.00   0.02   0.02) =   0.007%
        T HB2   LYS+  99 - QD1   LEU   63  13.04 +/- 3.65   2.456% *  0.1789% (0.07 10.00   0.02   0.02) =   0.006%
        T HB2   LYS+  99 - QD1   LEU   73  12.54 +/- 2.84   1.896% *  0.1789% (0.07 10.00   0.02   0.02) =   0.004%
          HB    VAL   43 - QD1   LEU   73   7.36 +/- 2.75   6.835% *  0.0229% (0.09  1.00   0.02   4.69) =   0.002%
          HB    VAL   43 - QD1   LEU   63   9.47 +/- 3.17   2.952% *  0.0229% (0.09  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU  104  19.61 +/- 3.26   0.290% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  13.35 +/- 2.81   0.889% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  12.31 +/- 1.94   0.833% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  14.28 +/- 2.88   0.654% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  16.83 +/- 1.92   0.313% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.878, support = 2.38, residual support = 19.1:
          HB2   LYS+  99 - QD2   LEU  104   2.50 +/- 0.58  57.842% * 82.2808% (0.90  1.00   2.35  18.65) =  97.576%  kept
          HB3   GLN   17 - QG2   VAL   18   5.05 +/- 1.00  14.706% *  6.1658% (0.04  1.00   4.13  50.03) =   1.859%  kept
        T HB    VAL   43 - QD2   LEU  104  10.09 +/- 1.65   1.634% *  7.5226% (0.97 10.00   0.02   0.02) =   0.252%  kept
          HB2   LYS+  99 - QG1   VAL   41   6.74 +/- 3.48   9.157% *  1.2898% (0.05  1.00   0.69   0.02) =   0.242%  kept
        T HB    VAL   43 - QG2   VAL   18  10.47 +/- 2.66   1.371% *  1.1559% (0.15 10.00   0.02   0.02) =   0.033%
        T HB    VAL   43 - QG1   VAL   41   7.70 +/- 0.88   3.142% *  0.4041% (0.05 10.00   0.02   1.16) =   0.026%
          QD    LYS+  81 - QD2   LEU  104  19.77 +/- 3.70   0.323% *  0.7196% (0.92  1.00   0.02   0.02) =   0.005%
          HB3   GLN   17 - QD2   LEU  104  16.34 +/- 3.60   0.932% *  0.1944% (0.25  1.00   0.02   0.02) =   0.004%
          HB3   GLN   17 - QG1   VAL   41  11.29 +/- 2.78   9.801% *  0.0104% (0.01  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QG2   VAL   18  14.12 +/- 2.94   0.552% *  0.1074% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  16.76 +/- 3.17   0.307% *  0.1106% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   41  18.34 +/- 2.91   0.233% *  0.0386% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.37, residual support = 41.5:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  93.041% * 76.3920% (0.72  10.0 10.00   3.35  41.70) =  98.801%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.12 +/- 0.24   3.819% * 22.5173% (0.93   1.0  1.00   4.60  23.52) =   1.195%  kept
          HB    ILE  103 - HB2   ASP- 105   8.16 +/- 0.84   1.145% *  0.0687% (0.65   1.0  1.00   0.02   3.53) =   0.001%
          HB3   GLN   90 - HB2   ASP- 105  17.14 +/- 3.38   0.510% *  0.0923% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  16.89 +/- 1.57   0.115% *  0.3752% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   ASP- 105  14.84 +/- 3.70   0.290% *  0.0867% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  20.20 +/- 4.07   0.200% *  0.0965% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.16 +/- 3.43   0.188% *  0.0526% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.81 +/- 3.05   0.106% *  0.0867% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  17.59 +/- 3.82   0.131% *  0.0647% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.38 +/- 3.40   0.101% *  0.0726% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.26 +/- 4.13   0.284% *  0.0223% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  20.98 +/- 3.11   0.071% *  0.0726% (0.69   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.65, residual support = 4.27:
        T QG2   THR  118 - HB2   ASP- 105   5.68 +/- 4.19 100.000% *100.0000% (0.54 10.00   1.65   4.27) = 100.000%  kept
    Distance limit 3.34 A violated in 7 structures by 2.78 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.65, residual support = 4.27:
        T QG2   THR  118 - HB3   ASP- 105   6.39 +/- 4.25 100.000% *100.0000% (0.57 10.00   1.65   4.27) = 100.000%  kept
    Distance limit 3.56 A violated in 9 structures by 3.09 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.883, support = 4.76, residual support = 51.1:
          HB2   PHE   97 - HB2   ASP- 105   3.94 +/- 0.75  63.656% * 55.2701% (0.89   4.96  59.85) =  75.854%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.22 +/- 1.09  25.567% * 43.6512% (0.85   4.13  23.52) =  24.062%  kept
          HB3   TRP   27 - HB2   ASP- 105  18.01 +/- 4.19   3.816% *  0.8489% (0.87   0.08   0.02) =   0.070%
          HB3   PHE   60 - HB2   ASP- 105  13.86 +/- 2.69   2.335% *  0.1711% (0.69   0.02   0.02) =   0.009%
          QE    LYS+  99 - HB2   ASP- 105   9.92 +/- 1.40   4.626% *  0.0587% (0.24   0.02   0.43) =   0.006%
    Distance limit 4.01 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.818, support = 3.83, residual support = 55.9:
        T HB2   PHE   97 - HB3   ASP- 105   3.32 +/- 0.89  67.567% * 67.5718% (0.87 10.00   3.84  59.85) =  89.241%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.66 +/- 1.05  17.135% * 32.0252% (0.41 10.00   3.70  23.52) =  10.726%  kept
          HB3   TRP   27 - HB3   ASP- 105  17.78 +/- 4.36   4.664% *  0.2727% (0.90  1.00   0.08   0.02) =   0.025%
          QE    LYS+  99 - HB3   ASP- 105   8.75 +/- 1.46   5.564% *  0.0566% (0.73  1.00   0.02   0.43) =   0.006%
          QE    LYS+ 102 - HB3   ASP- 105  11.05 +/- 1.13   2.621% *  0.0194% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  15.87 +/- 3.06   1.113% *  0.0349% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  14.39 +/- 2.97   1.336% *  0.0194% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 41.7:
      O T HA    ASP- 105 - HB3   ASP- 105   2.89 +/- 0.17  98.565% * 99.8608% (0.87  10.0 10.00   3.22  41.70) =  99.999%  kept
          HB    THR   23 - HB3   ASP- 105  23.50 +/- 4.58   0.520% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  22.20 +/- 3.35   0.362% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.58 +/- 4.65   0.553% *  0.0178% (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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.6, residual support = 41.7:
      O   HN    ASP- 105 - HB3   ASP- 105   2.92 +/- 0.30  99.300% * 99.9603% (0.95  10.0   4.60  41.70) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.10 +/- 3.09   0.700% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.85, residual support = 23.5:
          HN    LYS+ 106 - HB3   ASP- 105   4.02 +/- 0.26  88.536% * 99.5447% (0.18   3.85  23.52) =  99.941%  kept
          HN    VAL   41 - HB3   ASP- 105  10.64 +/- 3.25  11.464% *  0.4553% (0.15   0.02   0.02) =   0.059%
    Distance limit 3.94 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.6, residual support = 59.8:
          QD    PHE   97 - HB2   ASP- 105   3.57 +/- 0.98  94.777% * 99.3489% (0.87   3.60  59.85) =  99.974%  kept
          HZ3   TRP   87 - HB2   ASP- 105  13.68 +/- 3.39   4.598% *  0.5181% (0.82   0.02   0.02) =   0.025%
          HE3   TRP   49 - HB2   ASP- 105  22.25 +/- 3.73   0.625% *  0.1330% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.66, residual support = 41.7:
      O   HN    ASP- 105 - HB2   ASP- 105   3.51 +/- 0.30  98.571% * 99.9603% (0.89  10.0   4.66  41.70) =  99.999%  kept
          HN    ALA   88 - HB2   ASP- 105  16.47 +/- 3.14   1.429% *  0.0397% (0.36   1.0   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 3.79, residual support = 23.5:
          HN    LYS+ 106 - HB2   ASP- 105   3.00 +/- 0.42  95.193% * 99.5379% (0.17   3.80  23.52) =  99.977%  kept
          HN    VAL   41 - HB2   ASP- 105  11.43 +/- 2.87   4.807% *  0.4621% (0.15   0.02   0.02) =   0.023%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.14:
        T HA    MET   96 - HA    LYS+ 106   2.99 +/- 0.78  97.751% * 99.9192% (0.87 10.00   1.07   2.14) =  99.998%  kept
          HA    PHE   72 - HA    LYS+ 106  14.16 +/- 3.13   2.249% *  0.0808% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.18, residual support = 11.5:
          QD    PHE   97 - HA    LYS+ 106   3.33 +/- 0.71  91.936% * 99.6016% (0.45   4.19  11.54) =  99.965%  kept
          HZ3   TRP   87 - HA    LYS+ 106  11.59 +/- 3.57   8.064% *  0.3984% (0.38   0.02   0.02) =   0.035%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.02, residual support = 11.5:
          HN    PHE   97 - HA    LYS+ 106   3.53 +/- 0.53  92.324% * 90.7701% (0.90   3.03  11.54) =  99.502%  kept
          HN    LEU  115 - HA    LYS+ 106  10.04 +/- 1.04   4.571% *  9.0444% (0.90   0.30   0.02) =   0.491%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.11 +/- 2.06   3.105% *  0.1855% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.77 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 134.9:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.89 +/- 0.04 100.000% *100.0000% (0.61  10.0   5.17 134.86) = 100.000%  kept
    Distance limit 3.60 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 = 26.6:
      O   HN    VAL  107 - HA    LYS+ 106   2.27 +/- 0.09  99.498% * 99.8992% (0.99  10.0   4.58  26.64) =  99.999%  kept
          HN    GLY   51 - HA    LYS+ 106  18.84 +/- 2.89   0.502% *  0.1008% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 2.81 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 = 5.37, residual support = 134.9:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.00 +/- 0.28  97.959% * 99.9120% (0.18  10.0   5.37 134.86) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  11.68 +/- 2.16   2.041% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.59 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 = 5.11, residual support = 26.6:
          HN    VAL  107 - QB    LYS+ 106   3.08 +/- 0.29  98.189% * 99.6065% (0.99   5.11  26.64) =  99.993%  kept
          HN    GLY   51 - QB    LYS+ 106  17.60 +/- 3.07   1.811% *  0.3935% (1.00   0.02   0.02) =   0.007%
    Distance limit 3.82 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 = 0.606, support = 5.94, residual support = 134.7:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.42 +/- 0.11  86.977% * 94.0497% (0.61  10.0 10.00   5.94 134.86) =  99.915%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.36 +/- 0.89   3.711% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.051%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.20 +/- 1.05   0.975% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+  65 - QB    LYS+ 106  16.77 +/- 2.88   0.416% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QB    LYS+ 106  19.31 +/- 2.53   0.200% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QB    LYS+ 106  10.27 +/- 1.78   1.532% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QB    LYS+ 106  12.84 +/- 2.10   1.652% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QB    LYS+ 106  11.31 +/- 4.44   1.888% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 106  14.76 +/- 3.04   0.706% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+ 106  16.20 +/- 1.80   0.344% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.90 +/- 0.86   1.049% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  16.02 +/- 2.89   0.431% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.14 +/- 2.94   0.117% *  0.1467% (0.95   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 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.71, residual support = 5.88:
          QG2   VAL  108 - QB    LYS+ 106   3.19 +/- 0.25  87.543% * 89.7250% (1.00   2.73   5.94) =  99.013%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.43 +/- 0.59   8.018% *  9.5477% (0.98   0.30   0.02) =   0.965%  kept
          QD1   ILE  119 - QB    LYS+ 106  10.97 +/- 1.61   2.732% *  0.5028% (0.76   0.02   0.02) =   0.017%
          HG3   LYS+ 112 - QB    LYS+ 106  12.89 +/- 1.84   1.707% *  0.2244% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.47 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 = 0.764, support = 4.57, residual support = 26.4:
          QG2   VAL  107 - QB    LYS+ 106   5.01 +/- 0.50  30.025% * 98.7055% (0.76   4.61  26.64) =  99.230%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.33 +/- 0.88  28.597% *  0.5595% (1.00   0.02   0.02) =   0.536%  kept
          QG2   THR   94 - QB    LYS+ 106   5.01 +/- 0.83  31.878% *  0.1559% (0.28   0.02   0.02) =   0.166%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  12.03 +/- 4.30   3.702% *  0.2950% (0.53   0.02   0.02) =   0.037%
          HB3   LYS+ 112 - QB    LYS+ 106  13.04 +/- 2.16   4.695% *  0.1731% (0.31   0.02   0.02) =   0.027%
          QB    ALA   20 - QB    LYS+ 106  15.78 +/- 2.03   1.103% *  0.1110% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.64 A violated in 0 structures by 0.39 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.138, support = 5.26, residual support = 103.4:
          HN    LYS+  81 - QG    LYS+  81   2.73 +/- 0.53  82.025% * 55.1382% (0.13   5.36 105.78) =  97.754%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.54 +/- 1.62   3.721% * 21.2590% (0.34   0.80   0.20) =   1.710%  kept
          HE3   TRP   27 - QG    LYS+  81  16.62 +/- 5.36   1.003% *  9.8510% (0.47   0.27   0.02) =   0.214%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.70 +/- 0.89   3.472% *  1.5141% (0.98   0.02   0.02) =   0.114%  kept
          HN    THR   23 - QG    LYS+  81  15.19 +/- 5.00   1.171% *  4.3460% (0.25   0.22   0.02) =   0.110%  kept
          HN    THR   23 - HG2   LYS+  33  12.59 +/- 1.26   1.088% *  0.8127% (0.53   0.02   0.02) =   0.019%
          HN    LEU   67 - HG2   LYS+  33  15.44 +/- 3.59   2.599% *  0.3057% (0.20   0.02   0.02) =   0.017%
          HE3   TRP   27 - HG2   LYS+ 106  16.03 +/- 3.21   0.715% *  0.9183% (0.59   0.02   0.02) =   0.014%
          QE    PHE   95 - HG2   LYS+  33  18.48 +/- 3.04   0.537% *  0.8746% (0.57   0.02   0.02) =   0.010%
          QE    PHE   95 - QG    LYS+  81  13.74 +/- 2.22   1.017% *  0.4187% (0.27   0.02   0.02) =   0.009%
          QD    PHE   55 - HG2   LYS+ 106  17.83 +/- 2.84   0.430% *  0.8862% (0.57   0.02   0.02) =   0.008%
          QD    PHE   55 - QG    LYS+  81  17.69 +/- 3.28   0.436% *  0.6996% (0.45   0.02   0.02) =   0.007%
          QD    PHE   55 - HG2   LYS+  33  25.61 +/- 3.94   0.145% *  1.4612% (0.95   0.02   0.02) =   0.005%
          HN    THR   23 - HG2   LYS+ 106  20.64 +/- 3.22   0.322% *  0.4929% (0.32   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  24.25 +/- 5.96   0.244% *  0.4295% (0.28   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+ 106  20.06 +/- 3.72   0.324% *  0.2605% (0.17   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  18.30 +/- 2.60   0.413% *  0.1854% (0.12   0.02   0.02) =   0.002%
          HN    LEU   67 - QG    LYS+  81  20.14 +/- 2.44   0.338% *  0.1464% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 0.331, support = 0.02, residual support = 0.02:
          HN    GLU-  79 - QG    LYS+  81   6.40 +/- 1.13  52.010% * 10.3925% (0.27   0.02   0.02) =  50.850%  kept
          HN    VAL   70 - HG2   LYS+  33  12.86 +/- 3.56  15.963% * 18.6620% (0.49   0.02   0.02) =  28.025%  kept
          HN    THR   94 - HG2   LYS+ 106  11.26 +/- 1.40  12.402% *  4.6016% (0.12   0.02   0.02) =   5.369%  kept
          HN    GLU-  79 - HG2   LYS+ 106  18.84 +/- 2.70   2.944% * 13.1644% (0.34   0.02   0.02) =   3.646%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.12 +/- 3.70   1.731% * 21.7063% (0.57   0.02   0.02) =   3.534%  kept
          HN    VAL   70 - HG2   LYS+ 106  17.95 +/- 2.70   2.987% * 11.3181% (0.30   0.02   0.02) =   3.181%  kept
          HN    THR   94 - QG    LYS+  81  12.41 +/- 1.86   8.927% *  3.6327% (0.09   0.02   0.02) =   3.051%  kept
          HN    VAL   70 - QG    LYS+  81  22.16 +/- 1.87   1.399% *  8.9350% (0.23   0.02   0.02) =   1.176%  kept
          HN    THR   94 - HG2   LYS+  33  21.38 +/- 2.22   1.637% *  7.5874% (0.20   0.02   0.02) =   1.169%  kept
    Distance limit 4.00 A violated in 16 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 134.9:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.90 +/- 0.67  96.969% * 99.8764% (0.18  10.0   5.66 134.86) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+  65  17.04 +/- 2.76   1.177% *  0.0419% (0.07   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 106 - HG3   LYS+ 102  13.12 +/- 0.85   1.449% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.44 +/- 2.63   0.405% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 4.21, residual support = 46.2:
        T HB2   PHE   95 - HB    VAL  107   2.43 +/- 0.49 100.000% *100.0000% (0.69 10.00   4.21  46.22) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 60.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.02  95.970% * 99.7352% (0.72  10.0 10.00   3.20  60.19) =  99.998%  kept
          HG2   LYS+ 121 - HB    VAL  107  11.91 +/- 3.44   0.864% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  10.53 +/- 0.64   0.822% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.21 +/- 2.20   1.836% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.77 +/- 2.48   0.346% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.97 +/- 2.72   0.161% *  0.0176% (0.13   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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.9, residual support = 60.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  95.514% * 99.5954% (0.71  10.0 10.00   3.90  60.19) =  99.997%  kept
          HD3   LYS+ 112 - HB    VAL  107   9.51 +/- 2.18   2.008% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - HB    VAL  107  17.39 +/- 2.96   0.248% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL  107   9.21 +/- 2.20   1.809% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  18.00 +/- 3.45   0.260% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.97 +/- 2.72   0.160% *  0.0253% (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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.641, support = 0.699, residual support = 6.02:
          QD2   LEU  115 - HB    VAL  107   5.76 +/- 1.27  39.508% * 74.2987% (0.67   0.75   6.76) =  89.065%  kept
          QD2   LEU   63 - HB    VAL  107   9.70 +/- 3.04  15.814% * 17.5593% (0.33   0.36   0.02) =   8.425%  kept
          QD1   LEU   63 - HB    VAL  107   9.27 +/- 3.60  22.137% *  2.1038% (0.71   0.02   0.02) =   1.413%  kept
          QD1   LEU   73 - HB    VAL  107  13.88 +/- 2.54   8.211% *  2.1038% (0.71   0.02   0.02) =   0.524%  kept
          QD1   LEU  104 - HB    VAL  107  10.20 +/- 1.13   8.632% *  1.4743% (0.50   0.02   0.02) =   0.386%  kept
          QD2   LEU   80 - HB    VAL  107  16.32 +/- 2.31   2.218% *  1.9249% (0.65   0.02   0.02) =   0.130%  kept
          QG1   VAL   83 - HB    VAL  107  14.36 +/- 1.68   3.480% *  0.5352% (0.18   0.02   0.02) =   0.057%
    Distance limit 4.02 A violated in 7 structures by 1.19 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.72, residual support = 46.2:
          QD    PHE   95 - HB    VAL  107   2.82 +/- 0.66  98.466% * 99.8282% (0.63   3.72  46.22) =  99.997%  kept
          HN    ALA   47 - HB    VAL  107  13.08 +/- 1.49   1.534% *  0.1718% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.73, residual support = 5.4:
          QD    PHE   97 - HB    VAL  107   5.60 +/- 0.94  82.250% * 99.0448% (0.33   1.74   5.41) =  99.792%  kept
          HZ3   TRP   87 - HB    VAL  107  13.39 +/- 2.82  17.750% *  0.9552% (0.27   0.02   0.02) =   0.208%  kept
    Distance limit 3.84 A violated in 11 structures by 1.69 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.2:
      O   HN    VAL  107 - HB    VAL  107   2.48 +/- 0.19  99.344% * 99.8992% (0.72  10.0   3.33  60.19) =  99.999%  kept
          HN    GLY   51 - HB    VAL  107  16.00 +/- 2.61   0.656% *  0.1008% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 3.7, residual support = 46.2:
          HN    PHE   95 - HB    VAL  107   3.82 +/- 0.44 100.000% *100.0000% (0.47   3.70  46.22) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.36, residual support = 60.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.06 +/- 0.06  88.457% * 99.3136% (0.99  10.0  1.00   4.36  60.19) =  99.988%  kept
        T HG13  ILE  119 - QG1   VAL  107   7.07 +/- 1.96   3.751% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+ 121 - QG1   VAL  107   9.22 +/- 2.91   1.699% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QG1   VAL  107   9.88 +/- 1.12   0.938% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  16.99 +/- 2.45   0.195% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.98 +/- 2.21   0.427% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   8.83 +/- 1.13   1.569% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  14.36 +/- 4.48   0.769% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  21.05 +/- 4.85   0.384% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  15.01 +/- 2.59   0.329% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.60 +/- 0.57   1.268% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  19.71 +/- 3.81   0.214% *  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 = 0.646, support = 3.9, residual support = 60.1:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  75.400% * 98.1265% (0.65  10.0 10.00   3.90  60.19) =  99.797%  kept
          HB2   GLN  116 - QG1   VAL  107   6.51 +/- 1.48  13.678% *  1.0685% (0.18   1.0  1.00   0.80   0.02) =   0.197%  kept
          QG    GLU-  79 - QG2   VAL   24   9.86 +/- 4.41   4.007% *  0.0301% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 112 - QG1   VAL  107   7.28 +/- 1.23   2.460% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG1   VAL  107  14.92 +/- 2.51   0.370% *  0.1267% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.61 +/- 1.16   1.195% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL  107 - QG2   VAL   24  17.39 +/- 2.96   0.189% *  0.2332% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL   24   9.83 +/- 0.65   0.794% *  0.0360% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.62 +/- 1.97   0.105% *  0.1513% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  18.93 +/- 3.16   0.140% *  0.0899% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.33 +/- 4.45   0.980% *  0.0090% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.70 +/- 1.29   0.167% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  13.78 +/- 2.76   0.394% *  0.0090% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  21.86 +/- 3.96   0.119% *  0.0063% (0.04   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 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 3.2, residual support = 60.0:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.02  79.865% * 97.9615% (0.65  10.0 10.00   3.20  60.19) =  99.739%  kept
          HB2   GLN  116 - QG2   VAL  107   7.14 +/- 1.63  14.495% *  1.3078% (0.18   1.0  1.00   0.99   0.02) =   0.242%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.79 +/- 1.30   3.610% *  0.3776% (0.25   1.0 10.00   0.02   0.02) =   0.017%
          HB3   PHE   45 - QG2   VAL  107   8.60 +/- 0.85   1.343% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  14.29 +/- 2.13   0.389% *  0.1265% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL  107  19.29 +/- 2.08   0.119% *  0.1511% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.77 +/- 1.38   0.178% *  0.0378% (0.25   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 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.983, residual support = 4.31:
        T QB    GLU- 114 - QG2   VAL  107   4.37 +/- 1.28  49.064% * 97.4490% (0.65 10.00   0.99   4.33) =  99.642%  kept
        T HB    ILE  119 - QG2   VAL  107   7.94 +/- 1.85  15.716% *  0.5350% (0.18 10.00   0.02   0.02) =   0.175%  kept
          HB2   LYS+ 111 - QG2   VAL  107   7.20 +/- 2.68  20.556% *  0.3028% (0.99  1.00   0.02   0.02) =   0.130%  kept
          HB3   PRO   68 - QG2   VAL  107  16.05 +/- 2.64   2.289% *  0.2446% (0.80  1.00   0.02   0.02) =   0.012%
          HG2   PRO   68 - QG2   VAL  107  15.24 +/- 2.76   3.405% *  0.1487% (0.49  1.00   0.02   0.02) =   0.011%
          HB2   GLN   17 - QG2   VAL  107  18.35 +/- 2.73   1.050% *  0.3055% (1.00  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - QG2   VAL  107  18.76 +/- 2.18   1.006% *  0.3055% (1.00  1.00   0.02   0.02) =   0.006%
          HB    ILE   19 - QG2   VAL  107  16.49 +/- 2.61   1.710% *  0.1729% (0.57  1.00   0.02   0.02) =   0.006%
          HB3   GLU-  25 - QG2   VAL  107  21.43 +/- 3.10   0.629% *  0.2890% (0.95  1.00   0.02   0.02) =   0.004%
          HG3   GLN   30 - QG2   VAL  107  17.00 +/- 2.46   1.343% *  0.1256% (0.41  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QG2   VAL  107  17.22 +/- 1.17   1.554% *  0.0680% (0.22  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   VAL  107  16.59 +/- 2.52   1.678% *  0.0535% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 2.99 A violated in 5 structures by 1.15 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.639, support = 1.6, residual support = 3.65:
        T QD1   LEU   73 - QG2   VAL   24   5.63 +/- 1.66  14.463% * 28.2035% (0.23 10.00   1.44   3.30) =  36.170%  kept
          QD2   LEU  115 - QG1   VAL  107   4.47 +/- 1.01  18.869% * 20.5323% (0.92  1.00   2.64   6.76) =  34.354%  kept
        T QD1   LEU   63 - QG1   VAL  107   8.20 +/- 3.12   6.022% * 42.5718% (0.98 10.00   0.52   0.02) =  22.732%  kept
          QD2   LEU   80 - QG2   VAL   24   9.67 +/- 6.41  17.452% *  2.3095% (0.21  1.00   1.29   3.30) =   3.574%  kept
        T QG1   VAL   83 - QG2   VAL   24   8.72 +/- 5.56  16.542% *  1.3667% (0.06 10.00   0.27   0.60) =   2.005%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.55 +/- 2.78   5.264% *  0.7549% (0.45 10.00   0.02   0.02) =   0.352%  kept
        T QD1   LEU  104 - QG1   VAL  107   9.07 +/- 1.20   2.162% *  1.1566% (0.69 10.00   0.02   0.02) =   0.222%  kept
        T QD1   LEU   73 - QG1   VAL  107  12.66 +/- 2.35   1.455% *  1.6504% (0.98 10.00   0.02   0.02) =   0.213%  kept
        T QD1   LEU  104 - QG2   VAL   24  13.13 +/- 4.09   5.829% *  0.2749% (0.16 10.00   0.02   0.02) =   0.142%  kept
        T QD2   LEU   63 - QG2   VAL   24  13.76 +/- 3.16   7.759% *  0.1794% (0.11 10.00   0.02   0.02) =   0.123%  kept
        T QD1   LEU   63 - QG2   VAL   24  13.90 +/- 3.07   2.017% *  0.3922% (0.23 10.00   0.02   0.02) =   0.070%
        T QG1   VAL   83 - QG1   VAL  107  13.11 +/- 1.84   0.886% *  0.4198% (0.25 10.00   0.02   0.02) =   0.033%
          QD2   LEU   80 - QG1   VAL  107  14.66 +/- 2.33   0.638% *  0.1510% (0.90  1.00   0.02   0.02) =   0.009%
          QD2   LEU  115 - QG2   VAL   24  16.09 +/- 2.80   0.642% *  0.0369% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 2.90 A violated in 1 structures by 0.38 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.377, support = 1.06, residual support = 6.71:
          QD1   LEU  115 - QG2   VAL  107   3.93 +/- 1.54  79.035% * 97.2590% (0.38   1.07   6.76) =  99.258%  kept
          QG1   VAL   75 - QG2   VAL  107   8.46 +/- 1.05  20.965% *  2.7410% (0.57   0.02   0.02) =   0.742%  kept
    Distance limit 3.68 A violated in 4 structures by 0.65 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.21 +/- 1.49  74.308% * 58.0948% (0.90   0.02   0.02) =  80.039%  kept
          QG2   ILE   19 - QG2   VAL  107  14.66 +/- 2.67  25.692% * 41.9052% (0.65   0.02   0.02) =  19.961%  kept
    Distance limit 3.35 A violated in 20 structures by 5.64 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 = 60.2:
      O T HA    VAL  107 - QG2   VAL  107   2.62 +/- 0.35  84.147% * 99.4123% (0.45  10.0 10.00   3.63  60.19) =  99.980%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.72 +/- 1.94  10.447% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.009%
          HA    PRO   52 - QG2   VAL  107  11.94 +/- 3.02   2.764% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - QG2   VAL  107  10.46 +/- 1.66   2.183% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - QG2   VAL  107  16.66 +/- 2.52   0.459% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 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 = 0.376, support = 2.84, residual support = 12.0:
          HB    VAL  108 - QG1   VAL  107   5.51 +/- 0.46  25.387% * 54.2450% (0.45  1.00   4.31  19.75) =  60.921%  kept
        T HB    ILE  119 - QG1   VAL  107   7.07 +/- 2.57  21.641% * 39.3712% (0.25 10.00   0.56   0.02) =  37.693%  kept
          HG2   PRO   58 - QG1   VAL  107  10.68 +/- 2.74   5.816% *  3.4632% (0.65  1.00   0.19   0.02) =   0.891%  kept
          HB2   PRO   93 - QG1   VAL  107   7.34 +/- 1.54  13.836% *  0.4688% (0.84  1.00   0.02   0.02) =   0.287%  kept
          HG3   PRO   52 - QG1   VAL  107  12.56 +/- 3.29   7.066% *  0.3631% (0.65  1.00   0.02   0.02) =   0.114%  kept
          HB2   ARG+  54 - QG1   VAL  107  13.86 +/- 1.60   1.609% *  0.2953% (0.53  1.00   0.02   0.02) =   0.021%
          HB2   GLN   30 - QG2   VAL   24   8.16 +/- 0.67   7.738% *  0.0333% (0.06  1.00   0.02   0.02) =   0.011%
          HB2   GLU-  14 - QG1   VAL  107  22.90 +/- 3.17   0.496% *  0.4076% (0.73  1.00   0.02   0.02) =   0.009%
          HB2   GLU-  14 - QG2   VAL   24  16.59 +/- 3.32   1.832% *  0.0969% (0.17  1.00   0.02   0.02) =   0.008%
          HG2   MET   11 - QG2   VAL   24  19.84 +/- 5.23   1.350% *  0.1019% (0.18  1.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - QG2   VAL   24  16.20 +/- 4.62   5.030% *  0.0264% (0.05  1.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - QG1   VAL  107  17.09 +/- 2.02   0.902% *  0.1400% (0.25  1.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QG2   VAL   24  17.28 +/- 2.54   0.948% *  0.1114% (0.20  1.00   0.02   0.02) =   0.005%
          HG3   PRO   52 - QG2   VAL   24  20.71 +/- 4.05   1.163% *  0.0863% (0.15  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QG1   VAL  107  17.16 +/- 1.36   0.857% *  0.1111% (0.20  1.00   0.02   0.02) =   0.004%
          HG2   PRO   58 - QG2   VAL   24  20.51 +/- 3.64   1.103% *  0.0863% (0.15  1.00   0.02   0.02) =   0.004%
          HG2   MET   11 - QG1   VAL  107  28.72 +/- 3.44   0.204% *  0.4290% (0.76  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - QG2   VAL   24  18.24 +/- 4.38   1.233% *  0.0598% (0.11  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - QG2   VAL   24  21.65 +/- 3.93   0.716% *  0.0702% (0.13  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QG2   VAL   24  20.73 +/- 3.93   1.073% *  0.0333% (0.06  1.00   0.02   0.02) =   0.002%
    Distance limit 3.35 A violated in 7 structures by 1.36 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.838, support = 1.48, residual support = 6.57:
          HA    LEU  115 - QG1   VAL  107   3.15 +/- 1.90  44.023% * 33.0853% (0.90   1.27   6.76) =  60.138%  kept
          HA    GLU- 114 - QG1   VAL  107   4.84 +/- 1.13  15.241% * 48.0809% (0.92   1.80   4.33) =  30.255%  kept
          HA    ASN   28 - QG2   VAL   24   4.84 +/- 0.40  17.301% * 11.8067% (0.21   1.97  13.88) =   8.434%  kept
          HA    THR   26 - QG2   VAL   24   6.46 +/- 0.20   6.283% *  4.0814% (0.14   0.98   2.74) =   1.059%  kept
          HA1   GLY  101 - QG2   VAL   24  15.08 +/- 5.40  11.445% *  0.1367% (0.24   0.02   0.02) =   0.065%
          HA    ALA   34 - QG1   VAL  107  17.94 +/- 2.40   0.359% *  0.5687% (0.98   0.02   0.02) =   0.008%
          HA1   GLY  101 - QG1   VAL  107  16.19 +/- 1.27   0.342% *  0.5751% (0.99   0.02   0.02) =   0.008%
          HA    LEU  115 - QG2   VAL   24  19.16 +/- 3.49   1.166% *  0.1237% (0.21   0.02   0.02) =   0.006%
          HA    ASN   28 - QG1   VAL  107  18.36 +/- 2.22   0.285% *  0.5033% (0.87   0.02   0.02) =   0.006%
          HA    ARG+  54 - QG1   VAL  107  12.88 +/- 1.74   0.694% *  0.1979% (0.34   0.02   0.02) =   0.006%
          HA    ALA   34 - QG2   VAL   24  12.83 +/- 0.69   0.902% *  0.1352% (0.23   0.02   0.02) =   0.005%
          HA    THR   26 - QG1   VAL  107  20.87 +/- 2.32   0.314% *  0.3519% (0.61   0.02   0.02) =   0.005%
          HA    GLU- 114 - QG2   VAL   24  22.09 +/- 3.76   0.528% *  0.1273% (0.22   0.02   0.02) =   0.003%
          HA    ALA  124 - QG1   VAL  107  14.69 +/- 2.48   0.408% *  0.1447% (0.25   0.02   0.02) =   0.002%
          HA    ARG+  54 - QG2   VAL   24  20.63 +/- 3.57   0.394% *  0.0470% (0.08   0.02   0.02) =   0.001%
          HA    ALA  124 - QG2   VAL   24  25.05 +/- 4.29   0.317% *  0.0344% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.59, residual support = 60.1:
      O T HA    VAL  107 - QG1   VAL  107   2.29 +/- 0.30  82.871% * 96.0071% (0.45  10.0 10.00   4.60  60.19) =  99.676%  kept
          HA    TRP   27 - QG2   VAL   24   5.66 +/- 0.39   8.045% *  3.1048% (0.20   1.0  1.00   1.46  26.13) =   0.313%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.90 +/- 1.20   6.061% *  0.0730% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          HA    PRO   52 - QG1   VAL  107  12.69 +/- 2.51   0.778% *  0.1858% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - QG1   VAL  107  11.31 +/- 1.62   1.066% *  0.1299% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL  107 - QG2   VAL   24  18.43 +/- 3.41   0.279% *  0.2282% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  17.31 +/- 2.07   0.294% *  0.1789% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL   24  18.09 +/- 3.61   0.284% *  0.0309% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  21.65 +/- 3.81   0.189% *  0.0441% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.43 +/- 3.06   0.134% *  0.0174% (0.08   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 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.139, support = 2.95, residual support = 24.5:
          HD1   TRP   27 - QG2   VAL   24   2.29 +/- 0.50  82.720% * 63.4664% (0.12   3.13  26.13) =  93.582%  kept
          QD    PHE   59 - QG1   VAL  107   5.91 +/- 1.93  13.276% * 26.6221% (0.49   0.31   0.29) =   6.300%  kept
          HH2   TRP   49 - QG1   VAL  107  12.98 +/- 2.64   1.157% *  3.3792% (0.97   0.02   0.02) =   0.070%
          HE21  GLN   30 - QG2   VAL   24   9.31 +/- 1.63   1.736% *  0.6951% (0.20   0.02   0.02) =   0.022%
          HE21  GLN   30 - QG1   VAL  107  17.13 +/- 2.39   0.257% *  2.9247% (0.84   0.02   0.02) =   0.013%
          HD1   TRP   27 - QG1   VAL  107  17.46 +/- 2.34   0.249% *  1.7044% (0.49   0.02   0.02) =   0.008%
          HH2   TRP   49 - QG2   VAL   24  20.02 +/- 3.39   0.249% *  0.8031% (0.23   0.02   0.02) =   0.004%
          QD    PHE   59 - QG2   VAL   24  16.34 +/- 2.61   0.356% *  0.4051% (0.12   0.02   0.02) =   0.003%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 4.41, residual support = 46.2:
          QD    PHE   95 - QG2   VAL  107   2.41 +/- 0.55  95.908% * 99.5518% (0.95   4.41  46.22) =  99.992%  kept
          HN    ALA   47 - QG2   VAL  107  10.81 +/- 1.75   1.563% *  0.3646% (0.76   0.02   0.02) =   0.006%
          QE    PHE   72 - QG2   VAL  107  10.10 +/- 1.83   2.529% *  0.0836% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.872, support = 1.36, residual support = 6.37:
          HN    LEU  115 - QG2   VAL  107   4.35 +/- 1.32  55.501% * 74.1563% (0.90   1.50   6.76) =  87.457%  kept
          HN    PHE   97 - QG2   VAL  107   6.92 +/- 0.86  24.326% * 16.5935% (0.90   0.33   5.41) =   8.577%  kept
          HN    ASP- 113 - QG2   VAL  107   6.90 +/- 2.00  20.173% *  9.2501% (0.28   0.60   0.02) =   3.965%  kept
    Distance limit 3.90 A violated in 3 structures by 0.39 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.7:
          HN    VAL  108 - QG2   VAL  107   3.61 +/- 0.46  83.045% * 99.3371% (0.57   3.64  19.75) =  99.864%  kept
          HN    VAL   43 - QG2   VAL  107   8.54 +/- 1.64  16.955% *  0.6629% (0.69   0.02   0.02) =   0.136%  kept
    Distance limit 3.46 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.2:
          HN    VAL  107 - QG1   VAL  107   3.39 +/- 0.47  94.473% * 99.2863% (0.99   4.14  60.19) =  99.980%  kept
          HN    GLY   51 - QG1   VAL  107  13.88 +/- 2.42   3.474% *  0.4845% (1.00   0.02   0.02) =   0.018%
          HN    VAL  107 - QG2   VAL   24  16.59 +/- 3.35   1.357% *  0.1141% (0.24   0.02   0.02) =   0.002%
          HN    GLY   51 - QG2   VAL   24  20.03 +/- 2.97   0.696% *  0.1151% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.619, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   9.16 +/- 1.57  61.653% * 80.7980% (0.69   0.02   0.02) =  87.122%  kept
          HN    VAL   43 - QG2   VAL   24  11.92 +/- 3.08  38.347% * 19.2020% (0.16   0.02   0.02) =  12.878%  kept
    Distance limit 3.53 A violated in 20 structures by 4.81 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 = 6.43:
      O   HN    ALA  110 - HA2   GLY  109   2.63 +/- 0.34  98.700% * 99.9027% (0.99  10.0   2.20   6.43) =  99.999%  kept
          HN    PHE   45 - HA2   GLY  109  13.09 +/- 2.48   1.300% *  0.0973% (0.97   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 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 = 9.4:
      O   HN    GLY  109 - HA2   GLY  109   2.72 +/- 0.22  97.100% * 99.5895% (0.53  10.0   2.20   9.40) =  99.995%  kept
          HN    GLN   90 - HA2   GLY  109  11.52 +/- 3.26   2.265% *  0.1791% (0.95   1.0   0.02   0.02) =   0.004%
          HN    ILE  103 - HA2   GLY  109  18.59 +/- 0.95   0.338% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  20.83 +/- 3.32   0.297% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.71, residual support = 65.1:
      O   HN    VAL  108 - HB    VAL  108   2.90 +/- 0.46  98.010% * 99.8788% (0.57  10.0   4.71  65.07) =  99.998%  kept
          HN    VAL   43 - HB    VAL  108  12.20 +/- 2.25   1.990% *  0.1212% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.23 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.141, support = 3.07, residual support = 7.25:
          HN    GLY  109 - QG1   VAL  108   2.60 +/- 0.33  83.854% * 89.7978% (0.14   3.09   7.30) =  99.227%  kept
          HN    GLN   90 - QG1   VAL  108   7.96 +/- 3.47  14.670% *  3.7237% (0.87   0.02   0.02) =   0.720%  kept
          HN    ILE  103 - QG1   VAL  108  12.84 +/- 0.94   0.784% *  2.9488% (0.69   0.02   0.02) =   0.030%
          HN    SER   82 - QG1   VAL  108  15.83 +/- 2.89   0.553% *  2.9488% (0.69   0.02   0.02) =   0.021%
          HN    GLY   16 - QG1   VAL  108  23.68 +/- 2.36   0.139% *  0.5810% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 65.1:
          HN    VAL  108 - QG1   VAL  108   3.62 +/- 0.11  96.650% * 99.4660% (0.57   4.52  65.07) =  99.981%  kept
          HN    VAL   43 - QG1   VAL  108  11.75 +/- 1.91   3.350% *  0.5340% (0.69   0.02   0.02) =   0.019%
    Distance limit 4.17 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 = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.81 +/- 0.62  95.306% * 99.4084% (0.57   4.08  65.07) =  99.971%  kept
          HN    VAL   43 - QG2   VAL  108   9.84 +/- 1.98   4.694% *  0.5916% (0.69   0.02   0.02) =   0.029%
    Distance limit 3.31 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  10.07 +/- 1.33  68.345% * 32.6470% (0.80   0.02   0.02) =  69.529%  kept
          HN    SER   82 - QG2   VAL  108  15.64 +/- 2.62  23.606% * 28.0060% (0.69   0.02   0.02) =  20.601%  kept
          HN    GLY   16 - QG2   VAL  108  21.82 +/- 2.26   8.049% * 39.3470% (0.97   0.02   0.02) =   9.869%  kept
    Distance limit 4.36 A violated in 20 structures by 5.48 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  17.67 +/- 2.72 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.91 A violated in 20 structures by 13.76 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 = 5.94:
          HA    LYS+ 106 - QG2   VAL  108   4.93 +/- 0.14 100.000% *100.0000% (0.28   1.42   5.94) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.86 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.683, support = 6.55, residual support = 313.3:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.49 +/- 0.18  82.768% * 93.0959% (0.69  10.0  1.00   6.57 315.33) =  99.304%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   5.53 +/- 0.88   9.952% *  5.3144% (0.18   1.0  1.00   4.48  28.73) =   0.682%  kept
        T HG3   LYS+ 106 - HB3   LYS+ 111  14.44 +/- 3.39   1.342% *  0.3379% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HB3   LYS+ 111  10.46 +/- 3.43   2.900% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   84 - HB3   LYS+ 111  15.10 +/- 3.52   1.042% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HB3   LYS+ 111  15.48 +/- 2.61   0.473% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  16.38 +/- 2.53   0.387% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   LYS+ 111  21.56 +/- 4.29   0.293% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  20.18 +/- 3.08   0.239% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  19.17 +/- 1.17   0.196% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  24.71 +/- 3.83   0.142% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  27.55 +/- 2.76   0.079% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  24.75 +/- 3.46   0.127% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  30.11 +/- 3.59   0.061% *  0.0418% (0.31   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 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.313, support = 3.6, residual support = 28.4:
          HB3   LYS+ 112 - HB3   LYS+ 111   4.82 +/- 1.50  53.986% * 88.2363% (0.31  1.00   3.64  28.73) =  98.791%  kept
          QG2   VAL  107 - HB3   LYS+ 111   6.75 +/- 2.95  40.078% *  1.1988% (0.76  1.00   0.02   0.02) =   0.996%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  17.02 +/- 2.56   0.891% *  8.2531% (0.53 10.00   0.02   0.02) =   0.153%  kept
          QG2   THR   94 - HB3   LYS+ 111  10.52 +/- 2.04   3.632% *  0.4361% (0.28  1.00   0.02   0.02) =   0.033%
          HG13  ILE  103 - HB3   LYS+ 111  18.42 +/- 3.25   0.698% *  1.5652% (1.00  1.00   0.02   0.02) =   0.023%
          QB    ALA   20 - HB3   LYS+ 111  21.54 +/- 3.56   0.715% *  0.3104% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 3.16 A violated in 0 structures by 0.52 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 315.3:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.83 +/- 0.15  86.228% * 99.9336% (0.97  10.0   6.97 315.33) =  99.996%  kept
          HA    VAL  108 - HB3   LYS+ 111   8.72 +/- 2.36  10.968% *  0.0160% (0.15   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HB3   LYS+ 111  12.68 +/- 4.57   2.804% *  0.0504% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 3.72 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 = 5.5, residual support = 315.3:
      O   HN    LYS+ 111 - HB3   LYS+ 111   3.08 +/- 0.46  95.478% * 99.6823% (0.73  10.0   5.51 315.33) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  12.27 +/- 2.96   2.544% *  0.0468% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LYS+ 111  19.82 +/- 4.36   1.194% *  0.0997% (0.73   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   LYS+ 111  16.44 +/- 1.80   0.697% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  33.42 +/- 3.41   0.087% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.3:
      O   HN    LYS+ 111 - HB2   LYS+ 111   2.97 +/- 0.73  86.237% * 99.5678% (1.00  10.0   7.06 315.33) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  13.14 +/- 2.87   1.764% *  0.0834% (0.84   1.0   0.02   0.02) =   0.002%
          HN    ALA   84 - HB2   LYS+ 111  20.29 +/- 4.51   1.220% *  0.0996% (1.00   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB2   LYS+ 111  17.15 +/- 1.98   0.818% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.94 +/- 1.21   2.837% *  0.0146% (0.15   1.0   0.02   1.80) =   0.000%
          HN    LEU   63 - HG3   GLN   30  15.58 +/- 2.82   1.183% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  18.85 +/- 4.92   0.804% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.28 +/- 0.63   4.304% *  0.0031% (0.03   1.0   0.02  18.64) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.95 +/- 3.31   0.105% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.91 +/- 3.00   0.338% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  26.57 +/- 2.95   0.214% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  27.73 +/- 3.22   0.177% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 315.0:
          HN    LYS+ 111 - HG2   LYS+ 111   3.59 +/- 0.99  88.962% * 94.2785% (0.18   6.52 315.33) =  99.904%  kept
          HN    ILE   56 - HG2   LYS+ 111  13.71 +/- 3.55   4.247% *  0.8037% (0.49   0.02   0.02) =   0.041%
          HZ2   TRP   87 - HG2   LYS+ 111  21.57 +/- 4.86   0.883% *  1.4808% (0.90   0.02   0.02) =   0.016%
          HN    LEU   63 - HG2   LYS+ 111  18.19 +/- 1.84   1.071% *  1.0015% (0.61   0.02   0.02) =   0.013%
          QE    PHE   60 - HG2   LYS+ 111  17.11 +/- 3.66   2.036% *  0.5096% (0.31   0.02   0.02) =   0.012%
          HN    ALA   84 - HG2   LYS+ 111  20.44 +/- 4.34   2.512% *  0.2892% (0.18   0.02   0.02) =   0.009%
          HD21  ASN   28 - HG2   LYS+ 111  28.08 +/- 3.52   0.288% *  1.6366% (0.99   0.02   0.02) =   0.006%
    Distance limit 4.00 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.646, support = 6.54, residual support = 315.1:
          HN    LYS+ 111 - HG3   LYS+ 111   3.41 +/- 0.25  77.243% * 96.7455% (0.65   6.55 315.33) =  99.933%  kept
          HN    ILE   56 - HG3   LYS+ 111  13.85 +/- 3.45   1.902% *  1.7424% (0.97   0.08   0.02) =   0.044%
          HN    ALA   84 - HG3   LYS+ 111  20.20 +/- 4.39   1.517% *  0.2955% (0.65   0.02   0.02) =   0.006%
          HN    LEU   63 - HG2   LYS+  74   9.77 +/- 2.62   7.868% *  0.0487% (0.11   0.02   0.02) =   0.005%
          HZ2   TRP   87 - HG3   LYS+ 111  21.60 +/- 4.71   1.911% *  0.1714% (0.38   0.02   0.02) =   0.004%
          HN    LEU   63 - HG3   LYS+ 111  18.44 +/- 1.88   0.564% *  0.4557% (1.00   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HG2   LYS+  74  13.03 +/- 2.94   4.153% *  0.0183% (0.04   0.02   0.02) =   0.001%
          HN    ILE   56 - HG2   LYS+  74  15.36 +/- 2.92   1.267% *  0.0471% (0.10   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG3   LYS+ 111  28.13 +/- 3.31   0.177% *  0.2586% (0.57   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  14.21 +/- 1.62   1.286% *  0.0316% (0.07   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  14.43 +/- 1.77   1.217% *  0.0276% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  21.26 +/- 3.01   0.423% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  34.64 +/- 3.38   0.087% *  0.1139% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.72 +/- 1.87   0.384% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.0855, support = 5.91, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.46 +/- 0.66  91.902% * 91.8443% (0.09   5.92  31.92) =  99.789%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.21 +/- 1.35   5.481% *  1.6566% (0.11   0.09   0.02) =   0.107%  kept
          HN    ASP-  78 - HG3   LYS+ 111  20.32 +/- 3.83   1.716% *  3.5949% (0.99   0.02   0.02) =   0.073%
          HN    VAL   75 - HG3   LYS+ 111  20.55 +/- 3.05   0.901% *  2.9042% (0.80   0.02   0.02) =   0.031%
    Distance limit 3.89 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.727, support = 1.23, residual support = 4.13:
        T HB2   LEU  115 - HA    LYS+ 112   3.34 +/- 0.83  53.557% * 67.8186% (0.76 10.00   0.75   2.52) =  84.864%  kept
          QB    GLU- 114 - HA    LYS+ 112   4.90 +/- 0.60  24.944% * 16.1185% (0.73  1.00   1.88   3.71) =   9.394%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.41 +/- 0.31  16.162% * 15.1542% (0.18  1.00   7.31  28.73) =   5.723%  kept
          HG3   PRO   58 - HA    LYS+ 112  11.72 +/- 2.29   2.831% *  0.1895% (0.80  1.00   0.02   0.02) =   0.013%
          HG2   PRO   68 - HA    LYS+ 112  20.10 +/- 3.67   0.493% *  0.2053% (0.87  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  18.23 +/- 2.69   0.761% *  0.0888% (0.38  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    LYS+ 112  22.98 +/- 2.95   0.275% *  0.1895% (0.80  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  20.57 +/- 3.18   0.419% *  0.0414% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  28.95 +/- 3.66   0.150% *  0.0888% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  24.34 +/- 3.25   0.229% *  0.0527% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  25.36 +/- 2.47   0.179% *  0.0527% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.44, residual support = 5.24:
        T QD1   ILE   56 - HA    LYS+ 112   6.13 +/- 3.23  56.293% * 99.6406% (0.84 10.00   1.45   5.24) =  99.929%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.43 +/- 1.29  10.681% *  0.1523% (0.92  1.00   0.02   0.02) =   0.029%
          QD2   LEU   73 - HA    LYS+ 112  15.95 +/- 2.98  15.405% *  0.0934% (0.57  1.00   0.02   0.02) =   0.026%
          QD2   LEU  123 - HA    LYS+ 112  13.58 +/- 1.46  13.258% *  0.0459% (0.28  1.00   0.02   0.02) =   0.011%
          HG    LEU   31 - HA    LYS+ 112  23.60 +/- 2.26   4.363% *  0.0678% (0.41  1.00   0.02   0.02) =   0.005%
    Distance limit 3.29 A violated in 9 structures by 2.90 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.81, support = 1.1, residual support = 1.82:
          QD    PHE   55 - HA    LYS+ 112   7.33 +/- 4.49  45.119% * 64.0832% (0.95   1.15   1.08) =  64.203%  kept
          QE    PHE   95 - HA    LYS+ 112   5.67 +/- 1.71  47.894% * 33.5875% (0.57   1.01   3.16) =  35.720%  kept
          HE3   TRP   27 - HA    LYS+ 112  21.56 +/- 2.20   1.376% *  1.1518% (0.98   0.02   0.02) =   0.035%
          HN    LYS+  81 - HA    LYS+ 112  21.13 +/- 4.39   2.977% *  0.3267% (0.28   0.02   0.02) =   0.022%
          HN    LEU   67 - HA    LYS+ 112  17.03 +/- 2.48   1.918% *  0.2325% (0.20   0.02   0.02) =   0.010%
          HN    THR   23 - HA    LYS+ 112  24.13 +/- 3.64   0.717% *  0.6182% (0.53   0.02   0.02) =   0.010%
    Distance limit 3.74 A violated in 3 structures by 0.82 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 237.9:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.76 +/- 0.07  96.067% * 99.7200% (0.92  10.0   5.76 237.95) =  99.998%  kept
          HN    MET   92 - HA    LYS+ 112  12.27 +/- 3.03   2.244% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  19.48 +/- 3.62   0.621% *  0.0937% (0.87   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LYS+ 112  13.57 +/- 2.11   1.019% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LYS+ 112  37.12 +/- 5.06   0.049% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 237.8:
          HN    LYS+ 112 - HG2   LYS+ 112   3.86 +/- 0.61  85.447% * 98.9794% (0.41   6.24 237.95) =  99.922%  kept
          HN    ASP-  78 - HG2   LYS+ 112  17.73 +/- 4.79   9.021% *  0.5899% (0.76   0.02   0.02) =   0.063%
          HN    VAL   75 - HG2   LYS+ 112  16.58 +/- 4.28   5.379% *  0.2382% (0.31   0.02   0.02) =   0.015%
          HN    MET   11 - HG2   LYS+ 112  37.12 +/- 6.48   0.154% *  0.1925% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 0.977, residual support = 2.03:
          QE    PHE   59 - HG2   LYS+ 112   7.36 +/- 1.77  44.809% * 77.9514% (0.90   1.08   2.10) =  87.845%  kept
          HN    PHE   59 - HG2   LYS+ 112   9.51 +/- 2.41  27.121% * 12.5583% (0.53   0.30   2.10) =   8.566%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.22 +/- 2.82  16.682% *  7.7149% (0.45   0.21   0.02) =   3.237%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.24 +/- 3.58   8.946% *  1.4923% (0.92   0.02   0.02) =   0.336%  kept
          HN    LYS+  81 - HG2   LYS+ 112  21.73 +/- 5.40   2.442% *  0.2831% (0.18   0.02   0.02) =   0.017%
    Distance limit 4.14 A violated in 13 structures by 2.57 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.59, residual support = 237.5:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.79 +/- 0.47  93.538% * 93.9398% (0.20  10.0 10.00   4.60 237.95) =  99.829%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.90 +/- 2.67   3.029% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.162%  kept
          HB3   ASP-  86 - HG2   LYS+ 112  21.74 +/- 4.72   0.841% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG3   MET   96 - HG2   LYS+ 112  16.75 +/- 2.95   0.909% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   45 - HG2   LYS+ 112  13.45 +/- 2.70   1.400% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  30.37 +/- 4.63   0.120% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  31.97 +/- 5.31   0.162% *  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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.64, residual support = 237.6:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.82 +/- 0.49  94.020% * 90.7520% (0.20  10.0 10.00   4.64 237.95) =  99.842%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  12.29 +/- 2.63   2.032% *  4.5452% (0.99   1.0 10.00   0.02   0.02) =   0.108%  kept
          HG3   MET   96 - HG3   LYS+ 112  16.85 +/- 2.78   0.986% *  3.7084% (0.69   1.0  1.00   0.24   0.02) =   0.043%
          HB3   ASP-  86 - HG3   LYS+ 112  21.64 +/- 4.90   1.097% *  0.3830% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PHE   45 - HG3   LYS+ 112  13.50 +/- 3.19   1.658% *  0.0908% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HG3   LYS+ 112  30.65 +/- 4.25   0.104% *  0.3150% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  32.22 +/- 4.98   0.104% *  0.2056% (0.45   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 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.286, support = 1.35, residual support = 3.11:
          QE    PHE   95 - HG3   LYS+ 112   7.02 +/- 2.58  74.187% * 83.5980% (0.28   1.37   3.16) =  98.523%  kept
          HD1   TRP   49 - HG3   LYS+ 112  15.92 +/- 4.34  12.089% *  4.2496% (0.97   0.02   0.02) =   0.816%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.48 +/- 3.45   7.249% *  3.0247% (0.69   0.02   0.02) =   0.348%  kept
          HD2   HIS   22 - HG3   LYS+ 112  25.51 +/- 5.88   2.487% *  4.4034% (1.00   0.02   0.02) =   0.174%  kept
          HD21  ASN   35 - HG3   LYS+ 112  30.53 +/- 4.63   1.642% *  3.3652% (0.76   0.02   0.02) =   0.088%
          HN    THR   23 - HG3   LYS+ 112  25.01 +/- 4.14   2.346% *  1.3591% (0.31   0.02   0.02) =   0.051%
    Distance limit 4.27 A violated in 13 structures by 2.83 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.91, residual support = 237.7:
          HN    LYS+ 112 - HG3   LYS+ 112   3.45 +/- 0.26  86.596% * 98.9250% (0.41   5.92 237.95) =  99.911%  kept
          HN    ASP-  78 - HG3   LYS+ 112  17.95 +/- 5.30  11.494% *  0.6213% (0.76   0.02   0.02) =   0.083%
          HN    VAL   75 - HG3   LYS+ 112  17.00 +/- 4.27   1.812% *  0.2509% (0.31   0.02   0.02) =   0.005%
          HN    MET   11 - HG3   LYS+ 112  37.45 +/- 6.36   0.099% *  0.2027% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 3.83, residual support = 237.9:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.33 +/- 0.13  95.837% * 95.1769% (0.20  10.0  1.00   3.83 237.95) =  99.973%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  12.16 +/- 3.18   2.253% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.012%
        T HG3   MET   96 - HD2   LYS+ 112  17.44 +/- 2.83   0.296% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HD2   LYS+ 112  22.20 +/- 5.27   0.659% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   45 - HD2   LYS+ 112  13.69 +/- 3.39   0.833% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  30.69 +/- 4.93   0.055% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  32.40 +/- 5.68   0.067% *  0.2156% (0.45   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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 237.9:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.76 +/- 0.22  95.052% * 99.7845% (0.85  10.0   5.70 237.95) =  99.994%  kept
          QB    ALA   47 - HD3   LYS+ 112  10.80 +/- 2.36   2.848% *  0.1053% (0.89   1.0   0.02   0.02) =   0.003%
          QG1   VAL   42 - HD3   LYS+ 112  12.28 +/- 3.04   2.100% *  0.1103% (0.94   1.0   0.02   0.02) =   0.002%
    Distance limit 3.45 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 = 3.3, residual support = 237.9:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.35 +/- 0.14  95.863% * 98.0934% (0.19  10.0   3.30 237.95) =  99.983%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.92 +/- 2.95   2.237% *  0.4913% (0.94   1.0   0.02   0.02) =   0.012%
          HB3   ASP-  86 - HD3   LYS+ 112  21.71 +/- 4.89   0.614% *  0.4140% (0.79   1.0   0.02   0.02) =   0.003%
          HG3   MET   96 - HD3   LYS+ 112  16.83 +/- 2.88   0.365% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PHE   45 - HD3   LYS+ 112  13.36 +/- 2.91   0.808% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  30.38 +/- 4.67   0.059% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.11 +/- 5.38   0.054% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.6, residual support = 237.9:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.79 +/- 0.47  78.844% * 99.5374% (0.75  10.0 10.00   4.60 237.95) =  99.980%  kept
          QB    ALA   47 - QE    LYS+ 112   9.05 +/- 2.51   5.311% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.007%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.90 +/- 2.67   2.517% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   42 - QE    LYS+ 112  10.90 +/- 2.95   2.534% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   42 - HB3   ASP-  62   8.32 +/- 1.73   7.431% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   47 - HB3   ASP-  62  12.03 +/- 3.01   3.362% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 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 = 0.417, support = 0.898, residual support = 4.81:
          QD1   ILE   56 - QE    LYS+ 112   5.26 +/- 2.63  29.050% * 73.1068% (0.44   0.95   5.24) =  91.708%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.25 +/- 1.80  17.169% *  5.3267% (0.09   0.34   0.02) =   3.949%  kept
          QG2   VAL   18 - HB3   ASP-  62   9.25 +/- 2.55   7.512% *  5.7707% (0.07   0.47   0.02) =   1.872%  kept
          QD2   LEU   73 - QE    LYS+ 112  14.36 +/- 3.90   7.550% *  2.3324% (0.67   0.02   0.02) =   0.760%  kept
          QG2   THR   46 - HB3   ASP-  62   9.59 +/- 3.68  12.828% *  0.7294% (0.05   0.08   0.02) =   0.404%  kept
          QG2   THR   46 - QE    LYS+ 112   9.96 +/- 3.78   9.083% *  0.8990% (0.26   0.02   0.02) =   0.353%  kept
          QG1   VAL   41 - HB3   ASP-  62  14.03 +/- 1.70   2.851% *  2.2185% (0.14   0.09   0.02) =   0.273%  kept
          QG1   VAL   43 - QE    LYS+ 112  12.62 +/- 2.58   2.901% *  1.8843% (0.54   0.02   0.02) =   0.236%  kept
          QG1   VAL   41 - QE    LYS+ 112  16.69 +/- 2.93   1.407% *  2.4330% (0.70   0.02   0.02) =   0.148%  kept
          QG2   VAL   18 - QE    LYS+ 112  14.70 +/- 3.54   1.596% *  1.1975% (0.34   0.02   0.02) =   0.083%
          HG    LEU   31 - QE    LYS+ 112  21.56 +/- 3.71   0.617% *  2.6889% (0.77   0.02   0.02) =   0.072%
          QD2   LEU   73 - HB3   ASP-  62  11.72 +/- 1.47   3.034% *  0.4772% (0.14   0.02   0.02) =   0.063%
          QG1   VAL   43 - HB3   ASP-  62  11.95 +/- 1.60   3.481% *  0.3855% (0.11   0.02   0.02) =   0.058%
          HG    LEU   31 - HB3   ASP-  62  18.71 +/- 2.65   0.922% *  0.5501% (0.16   0.02   0.02) =   0.022%
    Distance limit 3.76 A violated in 4 structures by 0.65 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.64, residual support = 236.1:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.82 +/- 0.49  68.819% * 94.8028% (0.81  10.0 10.00   4.64 237.95) =  99.036%  kept
          HG    LEU   63 - HB3   ASP-  62   5.73 +/- 1.06  15.272% *  4.1013% (0.15   1.0  1.00   4.55  42.40) =   0.951%  kept
        T QG2   VAL   24 - QE    LYS+ 112  18.93 +/- 3.16   0.410% *  0.7507% (0.64   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 112 - HB3   ASP-  62  12.29 +/- 2.63   1.509% *  0.1940% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   63 - QE    LYS+ 112  12.34 +/- 3.28   1.483% *  0.0881% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QE    LYS+ 112  10.24 +/- 1.39   2.052% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB3   ASP-  62  16.31 +/- 4.43   7.519% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  17.92 +/- 3.66   1.190% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  16.62 +/- 2.66   0.967% *  0.0152% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.35 +/- 2.41   0.778% *  0.0050% (0.04   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 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.504, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   6.79 +/- 1.30  25.822% * 59.7816% (0.51 10.00   0.02   0.02) =  86.517%  kept
          HG13  ILE  119 - QE    LYS+ 112   9.16 +/- 1.94  14.722% *  6.3761% (0.54  1.00   0.02   0.02) =   5.261%  kept
          QB    ALA   20 - QE    LYS+ 112  16.95 +/- 3.95   5.211% *  9.8344% (0.83  1.00   0.02   0.02) =   2.872%  kept
          HG13  ILE  119 - HB3   ASP-  62   7.12 +/- 1.71  24.197% *  1.3045% (0.11  1.00   0.02   0.02) =   1.769%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  15.50 +/- 1.85   2.371% *  8.2327% (0.70  1.00   0.02   0.02) =   1.094%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.11 +/- 2.29  11.997% *  1.2231% (0.10  1.00   0.02   0.02) =   0.822%  kept
          QB    ALA   20 - HB3   ASP-  62  13.24 +/- 2.63   6.962% *  2.0121% (0.17  1.00   0.02   0.02) =   0.785%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.94 +/- 1.65   3.420% *  1.6844% (0.14  1.00   0.02   0.02) =   0.323%  kept
          HB3   LEU   31 - QE    LYS+ 112  22.46 +/- 3.66   0.748% *  5.9782% (0.51  1.00   0.02   0.02) =   0.250%  kept
          HG13  ILE  103 - QE    LYS+ 112  17.18 +/- 2.57   1.737% *  1.9506% (0.17  1.00   0.02   0.02) =   0.190%  kept
          HB3   LEU   31 - HB3   ASP-  62  19.78 +/- 2.33   1.157% *  1.2231% (0.10  1.00   0.02   0.02) =   0.079%
          HG13  ILE  103 - HB3   ASP-  62  18.10 +/- 3.15   1.657% *  0.3991% (0.03  1.00   0.02   0.02) =   0.037%
    Distance limit 3.18 A violated in 16 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.779, support = 0.958, residual support = 2.36:
          QE    PHE   95 - QE    LYS+ 112   6.00 +/- 2.55  28.981% * 62.4162% (0.82   1.14   3.16) =  61.980%  kept
          QD    PHE   55 - QE    LYS+ 112   5.92 +/- 3.33  33.633% * 32.4291% (0.72   0.67   1.08) =  37.372%  kept
          QE    PHE   95 - HB3   ASP-  62   8.22 +/- 2.43  12.300% *  1.0314% (0.17   0.09   0.02) =   0.435%  kept
          HN    LEU   67 - HB3   ASP-  62   7.24 +/- 1.27  10.439% *  0.1477% (0.11   0.02   0.02) =   0.053%
          HN    LEU   67 - QE    LYS+ 112  14.97 +/- 3.88   1.653% *  0.7221% (0.54   0.02   0.02) =   0.041%
          HD1   TRP   49 - QE    LYS+ 112  13.29 +/- 3.58   2.601% *  0.3445% (0.26   0.02   0.02) =   0.031%
          HN    THR   23 - QE    LYS+ 112  21.48 +/- 3.88   0.560% *  1.0772% (0.81   0.02   0.02) =   0.021%
          HN    THR   23 - HB3   ASP-  62  18.60 +/- 3.45   2.171% *  0.2204% (0.16   0.02   0.02) =   0.016%
          QD    PHE   55 - HB3   ASP-  62  10.98 +/- 1.28   2.371% *  0.1981% (0.15   0.02   0.02) =   0.016%
          HE3   TRP   27 - QE    LYS+ 112  19.51 +/- 3.43   0.488% *  0.8938% (0.67   0.02   0.02) =   0.015%
          HE3   TRP   27 - HB3   ASP-  62  16.37 +/- 2.50   1.269% *  0.1829% (0.14   0.02   0.02) =   0.008%
          HD2   HIS   22 - QE    LYS+ 112  21.94 +/- 5.36   1.028% *  0.2209% (0.17   0.02   0.02) =   0.008%
          HD1   TRP   49 - HB3   ASP-  62  17.16 +/- 4.23   1.228% *  0.0705% (0.05   0.02   0.02) =   0.003%
          HD2   HIS   22 - HB3   ASP-  62  18.53 +/- 3.44   1.279% *  0.0452% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 1 structures by 0.24 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 3.5, residual support = 23.8:
          HN    GLU- 114 - QB    ASP- 113   2.80 +/- 0.25  78.741% * 74.8863% (0.84   3.65  25.15) =  94.354%  kept
          HN    GLN  116 - QB    ASP- 113   5.13 +/- 0.34  15.068% * 22.8457% (0.98   0.95   1.91) =   5.508%  kept
          HN    THR  118 - QB    ASP- 113   7.48 +/- 0.47   4.636% *  1.7698% (0.80   0.09   0.02) =   0.131%  kept
          HN    PHE   60 - QB    ASP- 113  12.79 +/- 1.52   1.214% *  0.2780% (0.57   0.02   0.02) =   0.005%
          HN    LEU   71 - QB    ASP- 113  21.04 +/- 3.35   0.341% *  0.2201% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.89 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 = 3.47, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.16 +/- 0.16  98.422% * 99.9821% (0.98  10.0   3.47  14.41) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  13.57 +/- 3.15   1.578% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.448, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.27 +/- 2.18  64.449% * 39.4133% (0.41 10.00   0.02   0.02) =  84.970%  kept
        T HB3   LYS+  99 - HA    ASP- 113  22.00 +/- 2.23   5.414% * 50.4393% (0.53 10.00   0.02   0.02) =   9.135%  kept
          HB    ILE   89 - HA    ASP- 113  17.78 +/- 3.30  18.156% *  8.8499% (0.92  1.00   0.02   0.02) =   5.375%  kept
          HB    VAL   43 - HA    ASP- 113  18.00 +/- 2.42  11.980% *  1.2975% (0.14  1.00   0.02   0.02) =   0.520%  kept
    Distance limit 3.72 A violated in 19 structures by 4.27 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 4.65, residual support = 51.8:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  35.994% * 52.2050% (0.84  10.0   3.90  44.10) =  73.839%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.04  17.068% * 28.1940% (0.45  10.0   7.84  99.60) =  18.909%  kept
          HN    GLN  116 - HA    GLU- 114   4.42 +/- 0.56  10.961% * 12.7641% (0.98   1.0   4.17   1.78) =   5.498%  kept
          HN    GLU- 114 - HA    LEU  115   5.08 +/- 0.14   6.165% *  5.3834% (0.38   1.0   4.48  21.21) =   1.304%  kept
          HN    THR  118 - HA    GLU- 114   4.89 +/- 0.69   8.584% *  0.9682% (0.80   1.0   0.39   0.11) =   0.327%  kept
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.38  19.204% *  0.1460% (0.37   1.0   0.13   0.02) =   0.110%  kept
          HN    PHE   60 - HA    LEU  115   9.23 +/- 1.09   1.175% *  0.2630% (0.26   1.0   0.32   0.02) =   0.012%
          HN    PHE   60 - HA    GLU- 114  13.15 +/- 1.33   0.394% *  0.0354% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    GLU- 114  21.02 +/- 3.73   0.157% *  0.0280% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.44 +/- 3.25   0.297% *  0.0129% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.655, support = 6.28, residual support = 120.5:
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.06  27.525% * 65.9260% (0.90  10.0   4.86  21.21) =  50.301%  kept
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.05  58.035% * 30.3399% (0.41  10.0   7.79 224.47) =  48.809%  kept
          HN    ASP- 113 - HA    GLU- 114   5.22 +/- 0.11   8.818% *  3.6284% (0.28   1.0   3.55  25.15) =   0.887%  kept
          HN    PHE   97 - HA    GLU- 114  13.56 +/- 1.48   0.568% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  10.92 +/- 1.86   1.198% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.90 +/- 0.30   3.857% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 0.81, support = 4.25, residual support = 42.7:
      O   HN    GLU- 114 - QB    GLU- 114   2.28 +/- 0.22  81.040% * 75.5039% (0.81  10.0   4.25  44.10) =  96.699%  kept
          HN    GLN  116 - QB    GLU- 114   5.00 +/- 0.35   8.400% * 21.3844% (0.95   1.0   4.83   1.78) =   2.839%  kept
          HN    THR  118 - QB    GLU- 114   5.34 +/- 0.72   9.677% *  3.0200% (0.77   1.0   0.83   0.11) =   0.462%  kept
          HN    PHE   60 - QB    GLU- 114  12.07 +/- 1.30   0.617% *  0.0512% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.96 +/- 3.26   0.266% *  0.0405% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.831, support = 5.47, residual support = 21.4:
          HN    LEU  115 - QB    GLU- 114   3.16 +/- 0.46  72.993% * 84.7633% (0.87   5.61  21.21) =  94.229%  kept
          HN    ASP- 113 - QB    GLU- 114   4.64 +/- 0.28  25.337% * 14.9346% (0.27   3.19  25.15) =   5.763%  kept
          HN    PHE   97 - QB    GLU- 114  11.46 +/- 1.55   1.670% *  0.3021% (0.87   0.02   0.02) =   0.008%
    Distance limit 3.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.858, support = 4.3, residual support = 36.2:
          HN    GLU- 114 - QG    GLU- 114   2.67 +/- 0.48  70.522% * 47.1121% (0.83   4.45  44.10) =  81.494%  kept
          HN    GLN  116 - QG    GLU- 114   5.11 +/- 0.77  14.378% * 48.5637% (0.98   3.91   1.78) =  17.127%  kept
          HN    THR  118 - QG    GLU- 114   5.64 +/- 1.10  13.779% *  4.0672% (0.80   0.40   0.11) =   1.375%  kept
          HN    PHE   60 - QG    GLU- 114  11.95 +/- 1.44   1.048% *  0.1434% (0.56   0.02   0.02) =   0.004%
          HN    LEU   71 - QG    GLU- 114  18.79 +/- 3.08   0.272% *  0.1136% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 5.77, residual support = 21.2:
          HN    LEU  115 - QG    GLU- 114   3.04 +/- 1.02  96.023% * 98.5369% (0.45   5.77  21.21) =  99.985%  kept
          HN    PHE   97 - QG    GLU- 114  11.19 +/- 1.27   3.531% *  0.3416% (0.45   0.02   0.02) =   0.013%
          HN    ASN   35 - QG    GLU- 114  24.27 +/- 2.43   0.302% *  0.4008% (0.52   0.02   0.02) =   0.001%
          HN    ALA   12 - QG    GLU- 114  32.25 +/- 3.42   0.144% *  0.7207% (0.94   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 1.67, residual support = 4.14:
          QG1   VAL  107 - QG    GLU- 114   3.61 +/- 1.05  64.491% * 52.3486% (0.98   1.71   4.33) =  73.098%  kept
          HD3   LYS+ 112 - QG    GLU- 114   6.52 +/- 1.79  29.672% * 40.9469% (0.83   1.57   3.71) =  26.306%  kept
          HG13  ILE  119 - QG    GLU- 114   9.24 +/- 1.25   4.630% *  5.8643% (0.22   0.85   0.02) =   0.588%  kept
          QG1   VAL   24 - QG    GLU- 114  19.47 +/- 4.03   0.432% *  0.5755% (0.92   0.02   0.02) =   0.005%
          HB3   LEU   31 - QG    GLU- 114  21.42 +/- 2.58   0.326% *  0.1555% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   24 - QG    GLU- 114  19.02 +/- 3.37   0.449% *  0.1092% (0.17   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 0.981, residual support = 4.25:
        T QG2   VAL  107 - QB    GLU- 114   4.37 +/- 1.28  70.699% * 92.1781% (0.59 10.00   0.99   4.33) =  98.241%  kept
          HG13  ILE  119 - QB    GLU- 114   9.12 +/- 1.15  16.240% *  7.0091% (0.62  1.00   0.70   0.02) =   1.716%  kept
          HG2   LYS+ 121 - QB    GLU- 114  11.31 +/- 1.82   7.605% *  0.2574% (0.81  1.00   0.02   0.02) =   0.030%
          QB    ALA   20 - QB    GLU- 114  18.59 +/- 3.57   1.800% *  0.3075% (0.96  1.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - QB    GLU- 114  14.12 +/- 1.75   2.777% *  0.0610% (0.19  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - QB    GLU- 114  21.69 +/- 2.31   0.879% *  0.1869% (0.59  1.00   0.02   0.02) =   0.002%
    Distance limit 3.09 A violated in 8 structures by 1.32 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.906, support = 6.53, residual support = 217.2:
      O T HA    LEU  115 - HB3   LEU  115   2.49 +/- 0.30  63.825% * 66.5643% (0.92  10.0 10.00   6.63 224.47) =  96.441%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.09 +/- 0.34   4.825% * 32.3284% (0.45   1.0 10.00   3.79  21.21) =   3.541%  kept
        T HA    ARG+  54 - HB3   LEU  115  11.75 +/- 1.79   0.725% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   34 - HB3   LEU   40   7.70 +/- 2.22  20.511% *  0.0068% (0.09   1.0  1.00   0.02   0.59) =   0.003%
          HA    LYS+  81 - HB3   LEU  115  18.54 +/- 4.16   4.157% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ARG+  54 - HB3   LEU   40  22.80 +/- 5.25   0.679% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HB3   LEU   40  17.50 +/- 2.39   0.233% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  18.01 +/- 0.97   0.179% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  13.94 +/- 2.71   0.920% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.87 +/- 2.79   0.101% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  11.81 +/- 4.50   1.329% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.06 +/- 2.55   0.452% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.84 +/- 2.77   0.103% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  20.56 +/- 2.71   0.143% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.65 +/- 1.93   0.091% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  18.23 +/- 6.59   0.565% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.25 +/- 1.89   0.929% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.30 +/- 3.52   0.088% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.05 +/- 3.35   0.059% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.84 +/- 2.50   0.087% *  0.0026% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 224.5:
      O T QD1   LEU  115 - HB3   LEU  115   2.44 +/- 0.33  96.569% * 99.7570% (0.87  10.0 10.00   6.42 224.47) =  99.997%  kept
          QG1   VAL   75 - HB3   LEU  115  10.77 +/- 2.09   1.842% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  115 - HB3   LEU   40  15.05 +/- 2.30   0.714% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  12.93 +/- 1.05   0.875% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.57, residual support = 223.7:
      O T QD2   LEU  115 - HB3   LEU  115   2.69 +/- 0.49  48.804% * 96.9558% (0.45  10.0 10.00   7.59 224.47) =  99.634%  kept
          QG2   VAL   41 - HB3   LEU   40   5.77 +/- 0.52   7.079% *  1.9785% (0.04   1.0  1.00   4.16  20.66) =   0.295%  kept
          QD1   LEU   73 - HB3   LEU  115  15.20 +/- 4.09  10.503% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.038%
          QD1   LEU   63 - HB3   LEU  115   8.99 +/- 2.95   4.144% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.015%
          QD2   LEU   63 - HB3   LEU  115   9.80 +/- 2.47   2.058% *  0.1996% (0.92   1.0  1.00   0.02   0.02) =   0.009%
          QD1   LEU  104 - HB3   LEU   40   6.71 +/- 4.66  15.486% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HB3   LEU   40  15.11 +/- 2.02   0.597% *  0.1138% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   LEU   40   9.57 +/- 1.90   1.732% *  0.0234% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.63 +/- 1.89   1.880% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  17.68 +/- 3.65   0.384% *  0.0889% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   LEU   40  10.32 +/- 2.05   1.585% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  13.42 +/- 1.94   0.633% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  15.48 +/- 1.62   0.369% *  0.0812% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU  115  14.16 +/- 1.72   0.524% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40   8.57 +/- 3.41   3.439% *  0.0056% (0.03   1.0  1.00   0.02   9.06) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.56 +/- 3.12   0.287% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  18.74 +/- 3.90   0.260% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  19.27 +/- 4.23   0.237% *  0.0056% (0.03   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 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.951, support = 7.06, residual support = 86.5:
          HN    GLN  116 - HB3   LEU  115   3.65 +/- 0.73  41.819% * 65.7186% (0.98   7.85  99.60) =  84.492%  kept
          HN    GLU- 114 - HB3   LEU  115   5.31 +/- 0.61  15.052% * 23.7436% (0.84   3.33  21.21) =  10.987%  kept
          HN    THR  118 - HB3   LEU  115   5.53 +/- 0.47  14.380% *  8.3988% (0.80   1.23   0.02) =   3.713%  kept
          HN    LEU   71 - HB3   LEU   40   5.65 +/- 1.19  20.136% *  1.0632% (0.05   2.37   1.87) =   0.658%  kept
          HN    PHE   60 - HB3   LEU  115   8.45 +/- 1.45   5.120% *  0.9356% (0.57   0.19   0.02) =   0.147%  kept
          HN    LEU   71 - HB3   LEU  115  17.84 +/- 3.31   0.631% *  0.0766% (0.45   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   40  16.04 +/- 2.97   1.540% *  0.0113% (0.07   0.02   0.02) =   0.001%
          HN    THR  118 - HB3   LEU   40  17.04 +/- 3.08   0.646% *  0.0160% (0.09   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  19.44 +/- 2.57   0.402% *  0.0196% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  21.51 +/- 2.43   0.273% *  0.0167% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 7.54, residual support = 224.1:
      O   HN    LEU  115 - HB3   LEU  115   2.88 +/- 0.45  85.737% * 98.4591% (0.90  10.0   7.55 224.47) =  99.854%  kept
          HN    ASP- 113 - HB3   LEU  115   6.32 +/- 0.91   8.554% *  1.4158% (0.28   1.0   0.93   0.02) =   0.143%  kept
          HN    PHE   97 - HB3   LEU  115  11.82 +/- 1.76   2.008% *  0.0985% (0.90   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HB3   LEU   40  11.30 +/- 3.27   3.008% *  0.0116% (0.11   1.0   0.02   1.38) =   0.000%
          HN    LEU  115 - HB3   LEU   40  19.65 +/- 2.37   0.401% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.90 +/- 2.79   0.293% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.51:
        T HA    LYS+ 112 - HB2   LEU  115   3.34 +/- 0.83  91.362% * 99.6055% (0.69 10.00   0.75   2.52) =  99.988%  kept
          HB2   HIS  122 - HB2   LEU  115  13.09 +/- 1.44   2.671% *  0.1590% (0.41  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HB2   LEU  115  23.13 +/- 4.98   2.148% *  0.1590% (0.41  1.00   0.02   0.02) =   0.004%
          HB    THR   46 - HB2   LEU  115  12.02 +/- 2.75   3.819% *  0.0765% (0.20  1.00   0.02   0.02) =   0.003%
    Distance limit 3.74 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.94, support = 1.72, residual support = 7.27:
          QE    PHE   95 - HB2   LEU  115   3.94 +/- 1.19  65.752% * 43.5930% (0.98   1.50   8.75) =  64.669%  kept
          QD    PHE   55 - HB2   LEU  115   7.71 +/- 3.43  28.609% * 54.6760% (0.87   2.13   4.57) =  35.291%  kept
          HN    LEU   67 - HB2   LEU  115  15.05 +/- 2.50   1.878% *  0.3836% (0.65   0.02   0.02) =   0.016%
          HE3   TRP   27 - HB2   LEU  115  19.39 +/- 2.41   0.739% *  0.4748% (0.80   0.02   0.02) =   0.008%
          HN    THR   23 - HB2   LEU  115  22.30 +/- 3.93   0.512% *  0.5723% (0.97   0.02   0.02) =   0.007%
          HD1   TRP   49 - HB2   LEU  115  15.92 +/- 2.59   1.305% *  0.1830% (0.31   0.02   0.02) =   0.005%
          HD2   HIS   22 - HB2   LEU  115  23.07 +/- 5.50   1.205% *  0.1174% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.71 A violated in 1 structures by 0.30 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 7.18, residual support = 92.6:
          HN    GLN  116 - HB2   LEU  115   3.40 +/- 0.51  56.434% * 80.3172% (0.80   7.51  99.60) =  91.211%  kept
          HN    GLU- 114 - HB2   LEU  115   4.79 +/- 0.49  23.032% * 18.1410% (0.34   3.98  21.21) =   8.408%  kept
          HN    THR  118 - HB2   LEU  115   5.67 +/- 0.43  14.798% *  1.1795% (0.98   0.09   0.02) =   0.351%  kept
          HN    PHE   60 - HB2   LEU  115   8.66 +/- 1.51   5.563% *  0.2620% (0.98   0.02   0.02) =   0.029%
          HN    GLU-  15 - HB2   LEU  115  26.64 +/- 3.22   0.173% *  0.1003% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.895, support = 7.34, residual support = 223.9:
      O   HN    LEU  115 - HB2   LEU  115   2.44 +/- 0.43  90.673% * 96.9735% (0.90  10.0   7.35 224.47) =  99.738%  kept
          HN    ASP- 113 - HB2   LEU  115   5.68 +/- 0.81   7.844% *  2.9296% (0.28   1.0   1.95   0.02) =   0.261%  kept
          HN    PHE   97 - HB2   LEU  115  12.03 +/- 1.72   1.483% *  0.0970% (0.90   1.0   0.02   0.02) =   0.002%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.606, support = 6.36, residual support = 76.5:
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.04  16.420% * 66.5449% (0.82  10.0   7.84  99.60) =  62.263%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  34.632% * 15.5150% (0.19  10.0   3.90  44.10) =  30.617%  kept
          HN    GLU- 114 - HA    LEU  115   5.08 +/- 0.14   5.933% * 12.7061% (0.70   1.0   4.48  21.21) =   4.296%  kept
          HN    GLN  116 - HA    GLU- 114   4.42 +/- 0.56  10.547% *  3.7934% (0.22   1.0   4.17   1.78) =   2.280%  kept
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.38  18.475% *  0.3445% (0.67   1.0   0.13   0.02) =   0.363%  kept
          HN    THR  118 - HA    GLU- 114   4.89 +/- 0.69   8.268% *  0.2878% (0.18   1.0   0.39   0.11) =   0.136%  kept
          HN    PHE   60 - HA    LEU  115   9.23 +/- 1.09   1.131% *  0.6209% (0.47   1.0   0.32   0.02) =   0.040%
          HN    PHE   60 - HA    ARG+  54   8.30 +/- 1.74   2.677% *  0.0215% (0.27   1.0   0.02   0.02) =   0.003%
          HN    GLN  116 - HA    ARG+  54  12.59 +/- 1.56   0.451% *  0.0373% (0.46   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  17.44 +/- 3.25   0.286% *  0.0304% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.76 +/- 1.36   0.263% *  0.0318% (0.39   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  15.15 +/- 1.51   0.246% *  0.0305% (0.37   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  13.15 +/- 1.33   0.380% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  20.58 +/- 3.90   0.141% *  0.0171% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.02 +/- 3.73   0.151% *  0.0083% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.685, support = 7.45, residual support = 200.8:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.05  57.224% * 77.4268% (0.75  10.0   7.79 224.47) =  88.331%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.06  27.140% * 21.1844% (0.20  10.0   4.86  21.21) =  11.462%  kept
          HN    ASP- 113 - HA    GLU- 114   5.22 +/- 0.11   8.694% *  1.1659% (0.06   1.0   3.55  25.15) =   0.202%  kept
          HN    PHE   97 - HA    LEU  115  10.92 +/- 1.86   1.182% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HA    LEU  115   6.90 +/- 0.30   3.803% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  13.25 +/- 1.39   0.592% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ARG+  54  19.29 +/- 3.04   0.280% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.56 +/- 1.48   0.560% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.87 +/- 1.75   0.525% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.774, support = 7.35, residual support = 223.0:
          HN    LEU  115 - HG    LEU  115   3.73 +/- 0.96  74.504% * 95.4066% (0.78   7.40 224.47) =  99.331%  kept
          HN    ASP- 113 - HG    LEU  115   6.75 +/- 1.39  13.059% *  2.8466% (0.24   0.71   0.02) =   0.519%  kept
          HN    PHE   97 - HG    LEU   40   9.94 +/- 3.38   6.966% *  1.3740% (0.26   0.31   1.38) =   0.134%  kept
          HN    PHE   97 - HG    LEU  115  11.90 +/- 1.53   3.901% *  0.2580% (0.78   0.02   0.02) =   0.014%
          HN    LEU  115 - HG    LEU   40  17.79 +/- 2.24   0.969% *  0.0876% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  21.02 +/- 2.72   0.601% *  0.0272% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.28 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   9.96 +/- 1.64 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 20 structures by 6.08 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.745, support = 1.69, residual support = 6.76:
          QE    PHE   95 - QD1   LEU  115   2.51 +/- 0.95  68.390% * 29.3725% (0.57   1.50   8.75) =  52.507%  kept
          QD    PHE   55 - QD1   LEU  115   5.76 +/- 2.62  29.101% * 62.2363% (0.95   1.90   4.57) =  47.340%  kept
          HN    LYS+  81 - QD1   LEU  115  16.36 +/- 3.27   0.736% *  7.2124% (0.28   0.75   0.02) =   0.139%  kept
          HE3   TRP   27 - QD1   LEU  115  15.35 +/- 1.94   0.361% *  0.6780% (0.98   0.02   0.02) =   0.006%
          HN    THR   23 - QD1   LEU  115  17.55 +/- 2.95   0.419% *  0.3639% (0.53   0.02   0.02) =   0.004%
          HN    LEU   67 - QD1   LEU  115  11.52 +/- 1.96   0.993% *  0.1369% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.52, residual support = 29.7:
          QD    PHE   59 - QD1   LEU  115   2.98 +/- 0.58  92.559% * 98.7324% (0.95   4.52  29.70) =  99.968%  kept
          HH2   TRP   49 - QD1   LEU  115  10.26 +/- 2.83   5.649% *  0.3855% (0.84   0.02   0.02) =   0.024%
          HD1   TRP   27 - QD1   LEU  115  17.50 +/- 2.36   0.987% *  0.4366% (0.95   0.02   0.02) =   0.005%
          HE21  GLN   30 - QD1   LEU  115  16.98 +/- 2.53   0.805% *  0.4454% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.51, residual support = 8.74:
          QD    PHE   95 - QD2   LEU  115   4.28 +/- 1.00  85.980% * 99.5785% (0.84   1.51   8.75) =  99.931%  kept
          HN    ALA   47 - QD2   LEU  115   9.90 +/- 2.02  14.020% *  0.4215% (0.27   0.02   0.02) =   0.069%
    Distance limit 3.48 A violated in 3 structures by 0.92 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.74, residual support = 29.7:
          QE    PHE   59 - QD2   LEU  115   2.86 +/- 0.61  68.617% * 82.8897% (0.89   2.90  29.70) =  93.469%  kept
          HN    PHE   59 - QD2   LEU  115   5.00 +/- 1.36  24.234% * 16.3220% (0.93   0.55  29.70) =   6.500%  kept
          HN    HIS  122 - QD2   LEU  115   8.78 +/- 1.18   2.925% *  0.2779% (0.43   0.02   0.02) =   0.013%
          HH2   TRP   87 - QD2   LEU  115  15.16 +/- 3.26   2.373% *  0.2326% (0.36   0.02   0.02) =   0.009%
          HN    LYS+  66 - QD2   LEU  115  11.03 +/- 1.55   1.851% *  0.2779% (0.43   0.02   0.02) =   0.008%
    Distance limit 2.92 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.92, residual support = 15.2:
        T QD1   ILE  119 - HA    GLN  116   2.88 +/- 0.73  88.218% * 99.5742% (0.61 10.00   3.92  15.17) =  99.992%  kept
          HB    VAL   75 - HA    GLN  116  14.58 +/- 2.39   1.263% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    GLN  116  11.91 +/- 3.21   3.199% *  0.0560% (0.34  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    GLN  116  13.38 +/- 2.20   1.610% *  0.0616% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  11.28 +/- 0.98   2.222% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  15.18 +/- 2.83   1.168% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  13.26 +/- 1.61   1.413% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  17.68 +/- 3.82   0.908% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 6.26, residual support = 99.5:
          QD2   LEU  115 - HA    GLN  116   2.97 +/- 0.97  66.849% * 98.5553% (0.92   6.27  99.60) =  99.866%  kept
          QD1   LEU   63 - HA    GLN  116   8.53 +/- 3.21  18.120% *  0.3338% (0.98   0.02   0.02) =   0.092%
          QD2   LEU   63 - HA    GLN  116   9.26 +/- 3.03  10.475% *  0.1527% (0.45   0.02   0.02) =   0.024%
          QD2   LEU   80 - HA    GLN  116  19.17 +/- 4.09   1.547% *  0.3054% (0.90   0.02   0.02) =   0.007%
          QD1   LEU   73 - HA    GLN  116  16.44 +/- 3.39   1.378% *  0.3338% (0.98   0.02   0.02) =   0.007%
          QD1   LEU  104 - HA    GLN  116  13.89 +/- 2.38   0.998% *  0.2339% (0.69   0.02   0.02) =   0.004%
          QG1   VAL   83 - HA    GLN  116  18.33 +/- 2.75   0.633% *  0.0849% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 2 structures by 0.18 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.62, residual support = 15.2:
          HN    ILE  119 - HA    GLN  116   3.24 +/- 0.27  97.636% * 97.2813% (0.57   2.62  15.17) =  99.980%  kept
          HN    CYS   21 - HA    GLN  116  20.70 +/- 4.08   1.017% *  1.2674% (0.97   0.02   0.02) =   0.014%
          HN    ILE   89 - HA    GLN  116  18.04 +/- 2.14   0.805% *  0.4480% (0.34   0.02   0.02) =   0.004%
          HN    LYS+  33 - HA    GLN  116  25.26 +/- 2.90   0.267% *  0.7435% (0.57   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  25.20 +/- 3.16   0.275% *  0.2599% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 6.71, residual support = 108.0:
      O   HN    GLN  116 - HA    GLN  116   2.75 +/- 0.06  67.707% * 88.6382% (0.98  10.0   6.87 111.91) =  96.519%  kept
          HN    THR  118 - HA    GLN  116   4.08 +/- 0.38  22.451% *  9.2333% (0.80   1.0   2.55   0.13) =   3.334%  kept
          HN    GLU- 114 - HA    GLN  116   6.91 +/- 0.33   4.366% *  2.0367% (0.84   1.0   0.54   1.78) =   0.143%  kept
          HN    PHE   60 - HA    GLN  116   7.92 +/- 1.74   4.846% *  0.0512% (0.57   1.0   0.02   0.02) =   0.004%
          HN    LEU   71 - HA    GLN  116  17.52 +/- 3.64   0.629% *  0.0405% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.486, support = 0.703, residual support = 1.77:
          HA    ASP- 113 - HB2   GLN  116   3.67 +/- 0.70  79.157% * 38.7443% (0.49  1.00   0.75   1.91) =  92.785%  kept
        T HA    PRO   58 - HB2   GLN  116  11.06 +/- 1.16   4.061% * 50.5135% (0.41 10.00   0.12   0.02) =   6.207%  kept
          HA    ILE   56 - HB2   GLN  116   8.69 +/- 2.31  12.258% *  2.0485% (0.97  1.00   0.02   0.02) =   0.760%  kept
          HA    LEU  123 - HB2   GLN  116  12.51 +/- 0.79   2.660% *  2.1179% (1.00  1.00   0.02   0.02) =   0.170%  kept
          HA    LYS+  99 - HB2   GLN  116  21.49 +/- 2.06   0.528% *  1.7729% (0.84  1.00   0.02   0.02) =   0.028%
          HA    LEU   40 - HB2   GLN  116  20.79 +/- 2.51   0.633% *  1.2017% (0.57  1.00   0.02   0.02) =   0.023%
          HA    ASN   35 - HB2   GLN  116  27.54 +/- 2.68   0.256% *  2.0079% (0.95  1.00   0.02   0.02) =   0.016%
          HA    GLU-  15 - HB2   GLN  116  26.45 +/- 3.31   0.268% *  0.7966% (0.38  1.00   0.02   0.02) =   0.006%
          HA    SER   13 - HB2   GLN  116  31.73 +/- 3.53   0.178% *  0.7966% (0.38  1.00   0.02   0.02) =   0.004%
    Distance limit 3.76 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.447, support = 6.96, residual support = 99.4:
          QD2   LEU  115 - HB2   GLN  116   3.59 +/- 1.14  69.376% * 97.5190% (0.45   6.98  99.60) =  99.804%  kept
          QD1   LEU   63 - HB2   GLN  116  10.41 +/- 3.31  11.012% *  0.4993% (0.80   0.02   0.02) =   0.081%
          QD2   LEU   63 - HB2   GLN  116  11.15 +/- 3.05   9.362% *  0.5756% (0.92   0.02   0.02) =   0.079%
          QD2   LEU   80 - HB2   GLN  116  20.00 +/- 4.49   3.758% *  0.2563% (0.41   0.02   0.02) =   0.014%
          QD1   LEU   73 - HB2   GLN  116  17.93 +/- 3.79   1.156% *  0.4993% (0.80   0.02   0.02) =   0.009%
          QD1   LEU   80 - HB2   GLN  116  19.86 +/- 3.81   1.996% *  0.1388% (0.22   0.02   0.02) =   0.004%
          QG2   VAL   41 - HB2   GLN  116  17.91 +/- 1.65   0.935% *  0.2340% (0.38   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  15.39 +/- 2.11   1.462% *  0.1388% (0.22   0.02   0.02) =   0.003%
          QD2   LEU   98 - HB2   GLN  116  16.86 +/- 1.77   0.943% *  0.1388% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 99.5:
          QD2   LEU  115 - HG2   GLN  116   3.76 +/- 1.13  64.229% * 98.7285% (1.00   6.62  99.60) =  99.891%  kept
          QD1   LEU   63 - HG2   GLN  116   9.51 +/- 3.20  13.854% *  0.2491% (0.84   0.02   0.02) =   0.054%
          QD2   LEU   80 - HG2   GLN  116  19.83 +/- 4.55   4.741% *  0.2976% (1.00   0.02   0.02) =   0.022%
          QD2   LEU   63 - HG2   GLN  116  10.26 +/- 3.09  11.893% *  0.0744% (0.25   0.02   0.02) =   0.014%
          QD1   LEU   73 - HG2   GLN  116  17.40 +/- 3.22   2.724% *  0.2491% (0.84   0.02   0.02) =   0.011%
          QD1   LEU  104 - HG2   GLN  116  15.22 +/- 2.28   1.254% *  0.2675% (0.90   0.02   0.02) =   0.005%
          QG1   VAL   83 - HG2   GLN  116  19.17 +/- 3.14   1.305% *  0.1337% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 1 structures by 0.39 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.5, residual support = 111.9:
      O   HE21  GLN  116 - HG2   GLN  116   2.91 +/- 0.69  80.226% * 99.6673% (0.65  10.0   4.50 111.91) =  99.983%  kept
          HN    ALA   57 - HG2   GLN  116   9.14 +/- 2.15   6.132% *  0.1119% (0.73   1.0   0.02   0.02) =   0.009%
          HN    ALA  120 - HG2   GLN  116   6.13 +/- 0.85  12.987% *  0.0428% (0.28   1.0   0.02   0.19) =   0.007%
          HE21  GLN   90 - HG2   GLN  116  20.75 +/- 4.48   0.535% *  0.1510% (0.98   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG2   GLN  116  28.48 +/- 2.72   0.121% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.805, support = 6.63, residual support = 107.2:
          HN    GLN  116 - HG2   GLN  116   3.48 +/- 0.53  65.175% * 84.5905% (0.80   6.89 111.91) =  95.811%  kept
          HN    THR  118 - HG2   GLN  116   5.83 +/- 0.78  17.614% * 12.1492% (0.98   0.81   0.13) =   3.719%  kept
          HN    GLU- 114 - HG2   GLN  116   7.14 +/- 1.17   8.624% *  2.8445% (0.34   0.54   1.78) =   0.426%  kept
          HN    PHE   60 - HG2   GLN  116   8.74 +/- 2.00   8.369% *  0.3006% (0.98   0.02   0.02) =   0.044%
          HN    GLU-  15 - HG2   GLN  116  26.39 +/- 3.21   0.218% *  0.1151% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.671, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HB2   GLN  116   7.49 +/- 1.09  39.234% * 15.3326% (0.76   0.02   0.02) =  51.524%  kept
          QD    PHE   55 - HB2   GLN  116   7.96 +/- 3.50  42.728% *  6.8436% (0.34   0.02   0.02) =  25.045%  kept
          HN    LEU   67 - HB2   GLN  116  16.14 +/- 3.32   4.940% * 20.0629% (1.00   0.02   0.02) =   8.489%  kept
          HD2   HIS   22 - HB2   GLN  116  25.04 +/- 6.16   5.653% * 13.7814% (0.69   0.02   0.02) =   6.672%  kept
          HN    THR   23 - HB2   GLN  116  24.72 +/- 4.99   2.663% * 16.0651% (0.80   0.02   0.02) =   3.664%  kept
          HD1   TRP   49 - HB2   GLN  116  18.77 +/- 2.74   2.424% * 16.7579% (0.84   0.02   0.02) =   3.480%  kept
          HE3   TRP   27 - HB2   GLN  116  22.11 +/- 3.08   1.617% *  5.5782% (0.28   0.02   0.02) =   0.772%  kept
          HD21  ASN   35 - HB2   GLN  116  29.18 +/- 3.03   0.740% *  5.5782% (0.28   0.02   0.02) =   0.354%  kept
    Distance limit 3.82 A violated in 15 structures by 2.27 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.42, residual support = 111.1:
      O   HN    GLN  116 - HB2   GLN  116   2.12 +/- 0.08  86.994% * 89.7486% (0.98  10.0   7.46 111.91) =  99.253%  kept
          HN    GLU- 114 - HB2   GLN  116   5.43 +/- 0.52   6.086% *  6.4927% (0.84   1.0   1.70   1.78) =   0.502%  kept
          HN    THR  118 - HB2   GLN  116   5.47 +/- 0.23   5.222% *  3.6658% (0.80   1.0   1.00   0.13) =   0.243%  kept
          HN    PHE   60 - HB2   GLN  116   9.75 +/- 2.17   1.516% *  0.0518% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  19.85 +/- 3.63   0.182% *  0.0410% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 4.91, residual support = 28.3:
          HN    SER  117 - HB2   GLN  116   3.42 +/- 0.27  97.396% * 99.5622% (0.98   4.91  28.31) =  99.997%  kept
          HN    SER   82 - HB2   GLN  116  24.08 +/- 5.46   2.257% *  0.0921% (0.22   0.02   0.02) =   0.002%
          HN    GLY   16 - HB2   GLN  116  25.12 +/- 3.27   0.347% *  0.3457% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.3:
      O   HN    SER  117 - HA    GLN  116   3.56 +/- 0.04  96.283% * 99.8922% (0.98  10.0   4.91  28.31) =  99.999%  kept
          HN    SER   82 - HA    GLN  116  23.46 +/- 4.76   3.257% *  0.0227% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HA    GLN  116  22.85 +/- 3.37   0.460% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.921, support = 1.98, residual support = 5.19:
        T QB    ALA  120 - HA    SER  117   3.30 +/- 0.51  73.847% * 88.9939% (0.92 10.00   1.99   5.23) =  98.949%  kept
          HG    LEU  115 - HA    SER  117   7.85 +/- 0.69   6.623% *  6.4332% (0.92  1.00   1.44   2.29) =   0.642%  kept
          HB3   LEU  115 - HA    SER  117   7.92 +/- 0.40   6.052% *  3.3037% (0.38  1.00   1.82   2.29) =   0.301%  kept
          HD2   LYS+ 121 - HA    SER  117   8.20 +/- 1.79   9.118% *  0.7465% (0.18  1.00   0.88   0.02) =   0.102%  kept
        T QG2   THR   26 - HA    SER  117  22.27 +/- 3.82   0.731% *  0.2696% (0.28 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - HA    SER  117  17.33 +/- 4.72   1.107% *  0.0472% (0.49  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    SER  117  19.24 +/- 3.45   0.514% *  0.0970% (1.00  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    SER  117  21.17 +/- 3.54   0.826% *  0.0510% (0.53  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    SER  117  17.55 +/- 3.13   0.650% *  0.0364% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.21 +/- 2.32   0.533% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.545, support = 1.79, residual support = 22.0:
          HE21  GLN  116 - HA    SER  117   5.33 +/- 1.64  33.837% * 81.3265% (0.65   2.10  28.31) =  72.491%  kept
          HN    ALA  120 - HA    SER  117   3.61 +/- 0.32  63.439% * 16.4191% (0.28   0.99   5.23) =  27.439%  kept
          HE21  GLN   90 - HA    SER  117  21.51 +/- 4.87   1.197% *  1.1745% (0.98   0.02   0.02) =   0.037%
          HN    ALA   57 - HA    SER  117  13.44 +/- 1.37   1.369% *  0.8701% (0.73   0.02   0.02) =   0.031%
          HD21  ASN   35 - HA    SER  117  27.92 +/- 3.05   0.158% *  0.2098% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 3.65, residual support = 15.4:
      O   HN    SER  117 - HA    SER  117   2.74 +/- 0.05  99.442% * 99.9049% (0.57  10.0   3.65  15.40) = 100.000%  kept
          HN    ALA   20 - HA    SER  117  24.13 +/- 4.19   0.382% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER  117  24.89 +/- 3.93   0.175% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.3, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.40 +/- 2.64   8.001% * 14.4446% (0.49   0.02   0.02) =  21.721%  kept
          QE    PHE   95 - QB    SER  117   7.63 +/- 1.37  17.701% *  4.5788% (0.15   0.02   0.02) =  15.233%  kept
          HN    LYS+  81 - QB    SER   48  11.26 +/- 4.01  12.756% *  5.8981% (0.20   0.02   0.02) =  14.139%  kept
          QD    PHE   60 - QB    SER  117  12.11 +/- 1.98   5.790% * 12.2000% (0.41   0.02   0.02) =  13.276%  kept
          HN    LYS+  81 - QB    SER   85   7.41 +/- 0.43  18.822% *  3.4992% (0.12   0.02   0.02) =  12.378%  kept
          HE3   TRP   27 - QB    SER  117  19.75 +/- 3.10   1.623% * 16.8009% (0.57   0.02   0.02) =   5.123%  kept
          QD    PHE   60 - QB    SER   48  11.65 +/- 2.90   8.460% *  3.1728% (0.11   0.02   0.02) =   5.045%  kept
          HN    LYS+  81 - QB    SER  117  21.87 +/- 3.82   0.948% * 22.6789% (0.76   0.02   0.02) =   4.043%  kept
          QD    PHE   55 - QB    SER   48  13.50 +/- 1.14   3.234% *  3.7566% (0.13   0.02   0.02) =   2.284%  kept
          HE3   TRP   27 - QB    SER   48  17.63 +/- 3.14   1.977% *  4.3694% (0.15   0.02   0.02) =   1.623%  kept
          QE    PHE   95 - QB    SER   48  11.76 +/- 2.42   6.877% *  1.1908% (0.04   0.02   0.02) =   1.539%  kept
          HE3   TRP   27 - QB    SER   85  17.11 +/- 4.79   2.621% *  2.5923% (0.09   0.02   0.02) =   1.277%  kept
          QE    PHE   95 - QB    SER   85  14.10 +/- 2.53   7.848% *  0.7065% (0.02   0.02   0.02) =   1.042%  kept
          QD    PHE   60 - QB    SER   85  16.89 +/- 2.87   1.892% *  1.8824% (0.06   0.02   0.02) =   0.669%  kept
          QD    PHE   55 - QB    SER   85  19.41 +/- 3.02   1.449% *  2.2287% (0.08   0.02   0.02) =   0.607%  kept
    Distance limit 3.88 A violated in 17 structures by 1.95 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.06, residual support = 41.6:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.06  41.62) = 100.000%  kept
    Distance limit 3.16 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 = 0.729, support = 2.75, residual support = 22.1:
          QG1   VAL  107 - HB    THR  118   3.80 +/- 2.58  50.704% * 53.0494% (0.98   1.44   3.20) =  66.679%  kept
          HG13  ILE  119 - HB    THR  118   5.46 +/- 0.87  29.410% * 45.3105% (0.22   5.42  60.30) =  33.034%  kept
          QG1   VAL   24 - HB    THR  118  19.31 +/- 4.77  11.180% *  0.6936% (0.92   0.02   0.02) =   0.192%  kept
          HD3   LYS+ 112 - HB    THR  118   9.64 +/- 1.99   5.351% *  0.6276% (0.84   0.02   0.02) =   0.083%
          QG2   VAL   24 - HB    THR  118  18.76 +/- 4.13   2.954% *  0.1316% (0.18   0.02   0.02) =   0.010%
          HB3   LEU   31 - HB    THR  118  19.83 +/- 2.86   0.402% *  0.1873% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 1.77, residual support = 11.4:
          QE    PHE   59 - HB    THR  118   3.16 +/- 0.57  85.871% * 34.2726% (0.45   1.85  12.50) =  84.957%  kept
          HN    HIS  122 - HB    THR  118   7.18 +/- 0.36   8.767% * 53.9477% (0.92   1.41   4.77) =  13.652%  kept
          HN    PHE   59 - HB    THR  118   9.10 +/- 0.73   4.285% * 11.0619% (0.84   0.32  12.50) =   1.368%  kept
          HH2   TRP   87 - HB    THR  118  17.71 +/- 3.34   1.078% *  0.7177% (0.87   0.02   0.02) =   0.022%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.73, residual support = 41.5:
      O   HN    THR  118 - HB    THR  118   2.13 +/- 0.23  89.805% * 95.4931% (0.98  10.0   3.73  41.62) =  99.764%  kept
          HN    GLN  116 - HB    THR  118   5.41 +/- 0.48   6.066% *  2.9087% (0.80   1.0   0.75   0.13) =   0.205%  kept
          HN    PHE   60 - HB    THR  118   9.36 +/- 1.17   1.672% *  1.5284% (0.98   1.0   0.32   0.02) =   0.030%
          HN    GLU- 114 - HB    THR  118   7.50 +/- 0.84   2.374% *  0.0332% (0.34   1.0   0.02   0.11) =   0.001%
          HN    GLU-  15 - HB    THR  118  24.75 +/- 3.27   0.082% *  0.0366% (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 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.07, residual support = 41.6:
      O T QG2   THR  118 - HA    THR  118   2.69 +/- 0.22 100.000% *100.0000% (0.14  10.0 10.00   5.07  41.62) = 100.000%  kept
    Distance limit 3.11 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 = 0.853, support = 0.02, residual support = 57.6:
        T QG2   ILE  119 - HA    THR  118   5.89 +/- 0.22  51.827% * 82.9340% (0.87 10.00   0.02  60.30) =  95.485%  kept
          QD2   LEU   71 - HA    THR  118  15.04 +/- 4.89  19.097% *  6.2402% (0.65  1.00   0.02   0.02) =   2.647%  kept
          QD1   ILE  103 - HA    THR  118  12.82 +/- 2.92   6.455% *  7.1780% (0.75  1.00   0.02   0.02) =   1.029%  kept
          QG2   ILE  103 - HA    THR  118  10.49 +/- 3.55  16.870% *  1.5050% (0.16  1.00   0.02   0.02) =   0.564%  kept
          HG3   LYS+  74 - HA    THR  118  19.21 +/- 3.87   5.751% *  2.1428% (0.22  1.00   0.02   0.02) =   0.274%  kept
    Distance limit 3.22 A violated in 18 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.433, support = 4.46, residual support = 40.6:
        T HG13  ILE  119 - HA    THR  118   6.39 +/- 0.69  28.812% * 76.3954% (0.20 10.00   6.09  60.30) =  65.520%  kept
          QG1   VAL  107 - HA    THR  118   5.47 +/- 2.45  50.445% * 22.8556% (0.88  1.00   1.36   3.20) =  34.319%  kept
          QG1   VAL   24 - HA    THR  118  20.65 +/- 5.17  12.327% *  0.3168% (0.83  1.00   0.02   0.02) =   0.116%  kept
          HD3   LYS+ 112 - HA    THR  118  11.85 +/- 1.72   4.388% *  0.2866% (0.75  1.00   0.02   0.02) =   0.037%
          QG2   VAL   24 - HA    THR  118  19.98 +/- 4.63   3.255% *  0.0601% (0.16  1.00   0.02   0.02) =   0.006%
          HB3   LEU   31 - HA    THR  118  20.52 +/- 3.68   0.773% *  0.0856% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 3 structures by 0.87 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.382, support = 2.58, residual support = 6.85:
        T HB3   LYS+ 121 - HA    THR  118   3.30 +/- 0.61  57.533% * 62.9653% (0.22 10.00   2.49   6.85) =  76.128%  kept
          HD2   LYS+ 121 - HA    THR  118   4.48 +/- 1.40  31.576% * 35.9352% (0.89  1.00   2.87   6.85) =  23.846%  kept
          HB2   LYS+  74 - HA    THR  118  19.01 +/- 4.15   1.812% *  0.2109% (0.75  1.00   0.02   0.02) =   0.008%
          QG2   THR   26 - HA    THR  118  20.07 +/- 3.68   0.828% *  0.2503% (0.89  1.00   0.02   0.02) =   0.004%
          QD    LYS+  66 - HA    THR  118  14.82 +/- 3.20   0.934% *  0.1834% (0.65  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HA    THR  118  16.77 +/- 1.49   0.540% *  0.2525% (0.90  1.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HA    THR  118  13.67 +/- 4.75   2.038% *  0.0630% (0.22  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HA    THR  118  19.16 +/- 4.12   2.772% *  0.0390% (0.14  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    THR  118  12.24 +/- 1.71   1.257% *  0.0442% (0.16  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    THR  118  15.63 +/- 4.02   0.710% *  0.0562% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.688, support = 0.02, residual support = 57.2:
        T HB    ILE  119 - HA    THR  118   5.61 +/- 0.18  59.849% * 57.0728% (0.69 10.00   0.02  60.30) =  94.902%  kept
          HB    VAL  108 - HA    THR  118  12.07 +/- 2.73   9.093% *  7.0645% (0.85  1.00   0.02   0.02) =   1.785%  kept
          HB2   PRO   93 - HA    THR  118  12.68 +/- 2.70   8.669% *  7.0645% (0.85  1.00   0.02   0.02) =   1.702%  kept
          HB2   ARG+  54 - HA    THR  118  18.54 +/- 1.77   1.950% *  7.3202% (0.88  1.00   0.02   0.02) =   0.397%  kept
          HG2   PRO   58 - HA    THR  118  11.99 +/- 1.99   8.711% *  1.3079% (0.16  1.00   0.02   0.02) =   0.317%  kept
          HB2   GLN   30 - HA    THR  118  20.76 +/- 3.40   1.746% *  5.7073% (0.69  1.00   0.02   0.02) =   0.277%  kept
          HB3   GLU- 100 - HA    THR  118  21.11 +/- 4.66   1.557% *  5.1298% (0.62  1.00   0.02   0.02) =   0.222%  kept
          HG3   GLN   30 - HA    THR  118  21.19 +/- 3.53   1.666% *  3.3482% (0.40  1.00   0.02   0.02) =   0.155%  kept
          HG3   PRO   52 - HA    THR  118  18.18 +/- 3.60   2.833% *  1.3079% (0.16  1.00   0.02   0.02) =   0.103%  kept
          HB3   PRO   68 - HA    THR  118  17.66 +/- 3.51   2.869% *  1.1523% (0.14  1.00   0.02   0.02) =   0.092%
          HB2   GLU-  14 - HA    THR  118  26.79 +/- 3.99   0.761% *  1.6626% (0.20  1.00   0.02   0.02) =   0.035%
          HG2   MET   11 - HA    THR  118  33.85 +/- 2.97   0.297% *  1.8622% (0.22  1.00   0.02   0.02) =   0.015%
    Distance limit 3.88 A violated in 17 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.29, residual support = 60.3:
        T HG12  ILE  119 - HA    THR  118   5.68 +/- 0.43  73.174% * 98.7917% (0.40 10.00   6.29  60.30) =  99.930%  kept
          HB3   PHE   72 - HA    THR  118  14.96 +/- 3.81  10.218% *  0.1911% (0.78  1.00   0.02   0.02) =   0.027%
          HB2   ASP-  44 - HA    THR  118  13.52 +/- 2.80   7.840% *  0.2084% (0.85  1.00   0.02   0.02) =   0.023%
          QG    GLN   90 - HA    THR  118  17.31 +/- 2.92   4.211% *  0.1764% (0.72  1.00   0.02   0.02) =   0.010%
          QG    GLU-  15 - HA    THR  118  22.00 +/- 3.41   1.723% *  0.2184% (0.89  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - HA    THR  118  24.43 +/- 3.00   1.087% *  0.2034% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  29.88 +/- 2.78   0.563% *  0.1764% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  25.64 +/- 4.23   1.183% *  0.0340% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 13 structures by 1.79 A, kept.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.89, residual support = 41.6:
      O T HB    THR  118 - HA    THR  118   2.99 +/- 0.06  95.391% * 99.8099% (0.72  10.0 10.00   3.89  41.62) =  99.998%  kept
          HA    PHE   60 - HA    THR  118  11.25 +/- 1.90   2.478% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    THR  118  16.75 +/- 2.64   0.787% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  22.22 +/- 4.52   0.634% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  19.49 +/- 3.76   0.538% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  26.09 +/- 3.29   0.172% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.844, support = 0.02, residual support = 10.5:
          QD    PHE   59 - HA    THR  118   6.75 +/- 0.40  83.475% * 25.6201% (0.85   0.02  12.50) =  83.939%  kept
          HD1   TRP   27 - HA    THR  118  22.24 +/- 4.63   6.523% * 25.6201% (0.85   0.02   0.02) =   6.559%  kept
          HH2   TRP   49 - HA    THR  118  19.22 +/- 3.27   5.506% * 22.6222% (0.75   0.02   0.02) =   4.889%  kept
          HE21  GLN   30 - HA    THR  118  20.58 +/- 3.97   4.496% * 26.1376% (0.87   0.02   0.02) =   4.613%  kept
    Distance limit 3.53 A violated in 20 structures by 3.21 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.466, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.99 +/- 0.29  90.672% * 43.4534% (0.47   0.02   0.02) =  93.004%  kept
          HZ2   TRP   49 - HA    THR  118  19.22 +/- 2.98   6.032% * 40.2018% (0.44   0.02   0.02) =   5.725%  kept
          HE21  GLN   17 - HA    THR  118  23.38 +/- 3.81   3.296% * 16.3448% (0.18   0.02   0.02) =   1.272%  kept
    Distance limit 3.92 A violated in 20 structures by 3.06 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.02, residual support = 60.3:
      O   HN    ILE  119 - HA    THR  118   3.50 +/- 0.05  94.511% * 99.6357% (0.51  10.0   7.02  60.30) =  99.992%  kept
          HN    CYS   21 - HA    THR  118  21.06 +/- 4.96   3.512% *  0.1698% (0.87   1.0   0.02   0.02) =   0.006%
          HN    ILE   89 - HA    THR  118  18.07 +/- 2.69   0.931% *  0.0600% (0.31   1.0   0.02   0.02) =   0.001%
          HN    LYS+  33 - HA    THR  118  23.28 +/- 3.38   0.411% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.62 +/- 3.76   0.635% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.56, residual support = 41.6:
      O   HN    THR  118 - HA    THR  118   2.84 +/- 0.03  92.125% * 97.0704% (0.51  10.0   4.57  41.62) =  99.843%  kept
          HN    GLN  116 - HA    THR  118   7.06 +/- 0.23   6.055% *  2.1456% (0.28   1.0   0.81   0.13) =   0.145%  kept
          HN    PHE   60 - HA    THR  118  11.31 +/- 1.04   1.644% *  0.6353% (0.72   1.0   0.09   0.02) =   0.012%
          HN    GLU-  15 - HA    THR  118  25.35 +/- 3.81   0.176% *  0.1487% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.388, support = 4.01, residual support = 43.2:
      O T HA    THR  118 - HB    THR  118   2.99 +/- 0.06  75.367% * 72.8120% (0.38  10.0 10.00   3.89  41.62) =  91.662%  kept
          HA    ILE  119 - HB    THR  118   4.85 +/- 0.31  18.628% * 26.7744% (0.53   1.0  1.00   5.25  60.30) =   8.331%  kept
          HD3   PRO   58 - HB    THR  118  10.96 +/- 0.88   1.655% *  0.0944% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HB    THR  118  15.54 +/- 2.69   0.854% *  0.1483% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - HB    THR  118  10.99 +/- 2.27   2.578% *  0.0299% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    THR  118  17.27 +/- 2.68   0.628% *  0.0539% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  20.14 +/- 2.40   0.290% *  0.0870% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.571, support = 4.95, residual support = 36.8:
          HG13  ILE  119 - QG2   THR  118   4.68 +/- 0.83  30.040% * 69.7304% (0.62   6.20  60.30) =  58.862%  kept
          QG1   VAL  107 - QG2   THR  118   4.01 +/- 2.46  49.775% * 29.3493% (0.51   3.17   3.20) =  41.052%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.35 +/- 1.87   4.813% *  0.3160% (0.87   0.02   0.02) =   0.043%
          QB    ALA   20 - QG2   THR  118  13.84 +/- 3.46  13.304% *  0.0729% (0.20   0.02   0.02) =   0.027%
          QG1   VAL   24 - QG2   THR  118  15.69 +/- 3.81   1.530% *  0.2937% (0.80   0.02   0.02) =   0.013%
          HB3   LEU   31 - QG2   THR  118  15.46 +/- 2.65   0.539% *  0.2378% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.25 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.279, support = 1.6, residual support = 4.07:
        T HB3   ASP- 105 - QG2   THR  118   6.39 +/- 4.25  29.853% * 78.4994% (0.25 10.00   1.65   4.27) =  89.316%  kept
          QB    LYS+ 106 - QG2   THR  118   7.16 +/- 3.07  14.854% * 13.9543% (0.51  1.00   1.44   3.25) =   7.900%  kept
          HB3   PRO   58 - QG2   THR  118   9.54 +/- 1.70  11.342% *  5.5659% (0.62  1.00   0.47   0.02) =   2.406%  kept
          HB    ILE   56 - QG2   THR  118   8.25 +/- 1.50  16.023% *  0.3232% (0.85  1.00   0.02   0.02) =   0.197%  kept
          HB2   MET   92 - QG2   THR  118  12.89 +/- 2.23   5.065% *  0.2964% (0.78  1.00   0.02   0.02) =   0.057%
          HB3   GLN   30 - QG2   THR  118  15.86 +/- 2.43   2.215% *  0.3298% (0.87  1.00   0.02   0.02) =   0.028%
          HB3   LYS+  38 - QG2   THR  118  16.66 +/- 2.07   1.446% *  0.3409% (0.89  1.00   0.02   0.02) =   0.019%
          QB    LYS+  33 - QG2   THR  118  16.32 +/- 2.80   3.191% *  0.1282% (0.34  1.00   0.02   0.02) =   0.016%
          HG3   PRO   68 - QG2   THR  118  12.52 +/- 2.68   5.877% *  0.0676% (0.18  1.00   0.02   0.02) =   0.015%
          QB    LYS+  81 - QG2   THR  118  16.69 +/- 2.85   2.163% *  0.1798% (0.47  1.00   0.02   0.02) =   0.015%
          HB3   GLN   90 - QG2   THR  118  14.86 +/- 1.85   2.338% *  0.1532% (0.40  1.00   0.02   0.02) =   0.014%
          HB    ILE  103 - QG2   THR  118  11.38 +/- 3.62   3.149% *  0.0761% (0.20  1.00   0.02   0.02) =   0.009%
          HG2   ARG+  54 - QG2   THR  118  14.30 +/- 1.49   2.485% *  0.0852% (0.22  1.00   0.02   0.02) =   0.008%
    Distance limit 3.51 A violated in 8 structures by 1.23 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.622, support = 3.49, residual support = 25.8:
        T HB2   ASP- 105 - QG2   THR  118   5.68 +/- 4.19  39.595% * 61.4697% (0.51 10.00   1.65   4.27) =  61.478%  kept
          HG12  ILE  119 - QG2   THR  118   3.83 +/- 0.61  40.185% * 37.9206% (0.80  1.00   6.44  60.30) =  38.491%  kept
          HB3   PHE   72 - QG2   THR  118  10.47 +/- 3.05   7.644% *  0.0640% (0.44  1.00   0.02   0.02) =   0.012%
          HB2   ASP-  44 - QG2   THR  118   9.02 +/- 2.44   6.981% *  0.0493% (0.34  1.00   0.02   0.02) =   0.009%
          HG3   MET   92 - QG2   THR  118  13.50 +/- 2.28   1.085% *  0.1213% (0.83  1.00   0.02   0.02) =   0.003%
          QG    GLN   90 - QG2   THR  118  13.33 +/- 1.94   1.018% *  0.0744% (0.51  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - QG2   THR  118  14.86 +/- 3.09   1.445% *  0.0448% (0.31  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QG2   THR  118  19.63 +/- 2.90   0.376% *  0.1288% (0.88  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  16.10 +/- 3.40   0.763% *  0.0365% (0.25  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   THR  118  18.84 +/- 2.46   0.386% *  0.0540% (0.37  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   THR  118  16.98 +/- 2.56   0.522% *  0.0365% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.397, support = 5.24, residual support = 49.9:
      O T HA    THR  118 - QG2   THR  118   2.69 +/- 0.22  60.300% * 41.5367% (0.34  10.0 10.00   5.07  41.62) =  55.505%  kept
        T HA    ILE  119 - QG2   THR  118   3.41 +/- 0.42  34.479% * 58.2274% (0.47   1.0 10.00   5.45  60.30) =  44.490%  kept
          HD3   PRO   58 - QG2   THR  118   9.31 +/- 1.23   1.837% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   75 - QG2   THR  118  12.44 +/- 2.48   1.103% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - QG2   THR  118  10.41 +/- 2.05   1.441% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   THR  118  14.42 +/- 2.44   0.552% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  17.24 +/- 2.14   0.288% *  0.0496% (0.40   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 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.06, residual support = 41.6:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  92.160% * 99.8099% (0.72  10.0 10.00   4.06  41.62) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   7.29 +/- 1.72   6.335% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QG2   THR  118  12.50 +/- 2.10   0.636% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.20 +/- 3.16   0.354% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.91 +/- 2.55   0.382% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  20.31 +/- 2.47   0.134% *  0.0311% (0.22   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 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 1.37, residual support = 4.76:
          HD2   HIS  122 - QG2   THR  118   3.46 +/- 0.20  82.764% * 97.4680% (0.90   1.37   4.77) =  99.799%  kept
          HE22  GLN  116 - QG2   THR  118   8.20 +/- 1.04   7.976% *  1.4160% (0.89   0.02   0.13) =   0.140%  kept
          QD    PHE   45 - QG2   THR  118   8.99 +/- 1.95   8.307% *  0.5326% (0.34   0.02   0.02) =   0.055%
          HE22  GLN   17 - QG2   THR  118  18.48 +/- 3.37   0.953% *  0.5834% (0.37   0.02   0.02) =   0.007%
    Distance limit 3.07 A violated in 0 structures by 0.39 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.36, residual support = 12.5:
          QD    PHE   59 - QG2   THR  118   4.23 +/- 0.80  89.945% * 98.6866% (0.85   4.36  12.50) =  99.950%  kept
          HE21  GLN   30 - QG2   THR  118  15.39 +/- 2.84   4.233% *  0.4615% (0.87   0.02   0.02) =   0.022%
          HH2   TRP   49 - QG2   THR  118  14.75 +/- 2.42   3.164% *  0.3995% (0.75   0.02   0.02) =   0.014%
          HD1   TRP   27 - QG2   THR  118  16.73 +/- 3.36   2.657% *  0.4524% (0.85   0.02   0.02) =   0.014%
    Distance limit 3.50 A violated in 4 structures by 0.78 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.45, residual support = 60.3:
        T QG2   THR  118 - HA    ILE  119   3.41 +/- 0.42 100.000% *100.0000% (0.57 10.00   5.45  60.30) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.514, support = 4.41, residual support = 33.0:
          QB    ALA  120 - HA    ILE  119   4.98 +/- 0.03  37.137% * 50.6772% (0.45   5.27  52.60) =  56.616%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.40 +/- 0.60  31.039% * 44.5268% (0.61   3.42   7.40) =  41.577%  kept
          HG    LEU  115 - HA    ILE  119   7.36 +/- 1.44  16.808% *  3.3571% (0.45   0.35   7.18) =   1.697%  kept
          HB3   LEU   40 - HA    ILE  119  15.05 +/- 4.04   3.628% *  0.2948% (0.69   0.02   0.02) =   0.032%
          HB2   LYS+  74 - HA    ILE  119  16.90 +/- 3.53   2.059% *  0.4142% (0.97   0.02   0.02) =   0.026%
          HG2   LYS+  65 - HA    ILE  119  13.55 +/- 2.08   2.441% *  0.2948% (0.69   0.02   0.02) =   0.022%
          QD    LYS+  66 - HA    ILE  119  11.74 +/- 3.64   5.700% *  0.1070% (0.25   0.02   0.02) =   0.018%
          QG2   THR   26 - HA    ILE  119  18.82 +/- 3.04   1.188% *  0.3280% (0.76   0.02   0.02) =   0.012%
    Distance limit 3.90 A violated in 0 structures by 0.55 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 2.34, residual support = 23.8:
          QD    PHE   59 - HA    ILE  119   3.93 +/- 0.28  94.406% * 97.5813% (0.95   2.34  23.85) =  99.951%  kept
          HE21  GLN   30 - HA    ILE  119  19.15 +/- 3.55   3.026% *  0.8499% (0.97   0.02   0.02) =   0.028%
          HH2   TRP   49 - HA    ILE  119  18.38 +/- 3.35   1.618% *  0.7356% (0.84   0.02   0.02) =   0.013%
          HD1   TRP   27 - HA    ILE  119  21.78 +/- 3.62   0.951% *  0.8331% (0.95   0.02   0.02) =   0.009%
    Distance limit 3.31 A violated in 0 structures by 0.62 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.57, residual support = 267.1:
      O   HN    ILE  119 - HA    ILE  119   2.80 +/- 0.05  97.698% * 99.7485% (0.98  10.0   8.57 267.13) =  99.998%  kept
          HN    CYS   21 - HA    ILE  119  19.30 +/- 4.23   1.375% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    ILE  119  18.99 +/- 2.03   0.363% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.84 +/- 3.55   0.313% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.44 +/- 3.13   0.250% *  0.0157% (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 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.272, support = 5.64, residual support = 44.6:
      O   HN    ALA  120 - HA    ILE  119   3.59 +/- 0.02  71.928% * 62.9065% (0.18  10.0   6.23  52.60) =  84.587%  kept
          HN    LEU  123 - HA    ILE  119   5.27 +/- 0.28  23.316% * 35.0497% (0.80   1.0   2.44   0.68) =  15.277%  kept
          HN    ALA  124 - HA    ILE  119   9.30 +/- 0.33   4.209% *  1.6845% (0.98   1.0   0.10   0.02) =   0.133%  kept
          HE21  GLN   17 - HA    ILE  119  20.42 +/- 3.95   0.547% *  0.3592% (1.00   1.0   0.02   0.02) =   0.004%
    Distance limit 4.06 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 = 2.4, residual support = 15.2:
          HA    GLN  116 - HB    ILE  119   2.99 +/- 0.87  93.223% * 96.3885% (0.84   2.40  15.17) =  99.960%  kept
          HA    VAL   70 - HB    ILE  119  15.70 +/- 3.81   2.498% *  0.8028% (0.84   0.02   0.02) =   0.022%
          HA    VAL   18 - HB    ILE  119  18.04 +/- 3.32   0.984% *  0.4376% (0.46   0.02   0.02) =   0.005%
          HB2   SER   37 - HB    ILE  119  22.56 +/- 3.84   0.578% *  0.5381% (0.56   0.02   0.02) =   0.003%
          HB2   SER   82 - HB    ILE  119  26.19 +/- 4.15   0.666% *  0.3729% (0.39   0.02   0.02) =   0.003%
          HA1   GLY   16 - HB    ILE  119  20.83 +/- 4.42   0.798% *  0.2567% (0.27   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB    ILE  119  25.79 +/- 3.32   0.318% *  0.6040% (0.63   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    ILE  119  26.42 +/- 3.13   0.291% *  0.4709% (0.49   0.02   0.02) =   0.002%
          HA    SER   48 - HB    ILE  119  20.09 +/- 2.75   0.644% *  0.1283% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.516, support = 4.98, residual support = 51.1:
          HN    ALA  120 - HB    ILE  119   2.94 +/- 0.27  58.356% * 86.7996% (0.53   5.13  52.60) =  96.485%  kept
          HE21  GLN  116 - HB    ILE  119   4.48 +/- 1.59  31.972% *  4.2143% (0.22   0.61  15.17) =   2.567%  kept
          HN    LEU  123 - HB    ILE  119   6.34 +/- 0.56   6.070% *  8.0464% (0.27   0.94   0.68) =   0.930%  kept
          HN    ALA  124 - HB    ILE  119   9.94 +/- 0.62   1.529% *  0.4464% (0.69   0.02   0.02) =   0.013%
          HN    ALA   57 - HB    ILE  119   9.93 +/- 1.16   1.882% *  0.1103% (0.17   0.02   0.02) =   0.004%
          HE21  GLN   17 - HB    ILE  119  22.06 +/- 3.67   0.190% *  0.3830% (0.60   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.58, residual support = 267.1:
      O   HN    ILE  119 - HB    ILE  119   2.29 +/- 0.23  98.918% * 99.7485% (0.85  10.0   7.58 267.13) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  20.63 +/- 4.21   0.626% *  0.0850% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    ILE  119  19.40 +/- 2.24   0.222% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  24.17 +/- 3.41   0.126% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.56 +/- 3.00   0.107% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.559, support = 3.78, residual support = 51.7:
          HA    ALA  120 - QG2   ILE  119   3.41 +/- 0.45  72.560% * 85.4412% (0.57   3.83  52.60) =  98.038%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.47 +/- 0.26  11.549% * 10.1122% (0.20   1.30   7.40) =   1.847%  kept
          HA    LYS+  65 - QG2   ILE  119  11.54 +/- 2.12   2.901% *  0.7445% (0.95   0.02   0.02) =   0.034%
          HD2   PRO   52 - QG2   ILE  119  14.13 +/- 2.63   3.504% *  0.6015% (0.76   0.02   0.02) =   0.033%
          HA2   GLY   16 - QG2   ILE  119  17.08 +/- 3.86   1.041% *  0.7059% (0.90   0.02   0.02) =   0.012%
          QB    SER   85 - QG2   ILE  119  19.32 +/- 2.58   0.876% *  0.7059% (0.90   0.02   0.02) =   0.010%
          HB    THR   94 - QG2   ILE  119  13.46 +/- 1.79   2.069% *  0.1963% (0.25   0.02   0.02) =   0.006%
          QB    SER   48 - QG2   ILE  119  16.59 +/- 2.02   1.177% *  0.2685% (0.34   0.02   0.02) =   0.005%
          HA2   GLY   51 - QG2   ILE  119  15.32 +/- 2.50   2.282% *  0.1214% (0.15   0.02   0.02) =   0.004%
          HA    SER   48 - QG2   ILE  119  17.28 +/- 2.37   1.068% *  0.2429% (0.31   0.02   0.02) =   0.004%
          HA    ALA   88 - QG2   ILE  119  19.47 +/- 1.98   0.564% *  0.4141% (0.53   0.02   0.02) =   0.004%
          HA    GLN   32 - QG2   ILE  119  21.18 +/- 2.37   0.410% *  0.4456% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.61 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.573, support = 5.45, residual support = 46.9:
          HN    ALA  120 - QG2   ILE  119   3.13 +/- 0.65  42.950% * 76.5182% (0.61   5.74  52.60) =  88.795%  kept
          HN    LEU  123 - QG2   ILE  119   4.50 +/- 0.39  17.846% * 22.1288% (0.31   3.26   0.68) =  10.670%  kept
          HE21  GLN  116 - QG2   ILE  119   4.29 +/- 1.51  28.855% *  0.6121% (0.25   0.11  15.17) =   0.477%  kept
          HN    ALA  124 - QG2   ILE  119   7.07 +/- 0.36   4.289% *  0.3520% (0.80   0.02   0.02) =   0.041%
          HN    ALA   57 - QG2   ILE  119   8.08 +/- 1.59   5.631% *  0.0870% (0.20   0.02   0.02) =   0.013%
          HE21  GLN   17 - QG2   ILE  119  17.45 +/- 3.42   0.429% *  0.3019% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.84, residual support = 267.1:
          HN    ILE  119 - QG2   ILE  119   3.52 +/- 0.27  88.380% * 99.2719% (0.80   7.85 267.13) =  99.982%  kept
          HN    CYS   21 - QG2   ILE  119  17.06 +/- 3.81   9.951% *  0.1078% (0.34   0.02   0.02) =   0.012%
          HN    ILE   89 - QG2   ILE  119  17.37 +/- 1.83   0.943% *  0.3050% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - QG2   ILE  119  19.67 +/- 3.05   0.726% *  0.3153% (1.00   0.02   0.02) =   0.003%
    Distance limit 3.92 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 = 0.828, support = 1.36, residual support = 5.79:
          QD2   LEU  115 - HG12  ILE  119   4.07 +/- 1.49  51.489% * 72.1210% (0.90   1.50   7.18) =  79.546%  kept
          QD1   LEU   63 - HG12  ILE  119   6.51 +/- 3.38  39.085% * 24.2659% (0.57   0.80   0.37) =  20.316%  kept
          QD1   LEU   73 - HG12  ILE  119  14.90 +/- 2.66   4.313% *  0.6071% (0.57   0.02   0.02) =   0.056%
          QD1   LEU  104 - HG12  ILE  119  12.56 +/- 3.33   2.073% *  1.0722% (1.00   0.02   0.02) =   0.048%
          QD2   LEU   80 - HG12  ILE  119  18.35 +/- 3.43   0.788% *  0.9898% (0.92   0.02   0.02) =   0.017%
          QG1   VAL   83 - HG12  ILE  119  17.54 +/- 2.59   0.738% *  0.7786% (0.73   0.02   0.02) =   0.012%
          QG2   ILE   89 - HG12  ILE  119  12.90 +/- 1.49   1.514% *  0.1654% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.76 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.844, support = 2.09, residual support = 6.1:
          QD2   LEU  115 - HG13  ILE  119   4.51 +/- 1.73  50.165% * 78.5787% (0.90   2.31   7.18) =  84.100%  kept
          QD1   LEU   63 - HG13  ILE  119   6.81 +/- 2.90  39.199% * 18.8698% (0.57   0.88   0.37) =  15.781%  kept
          QD1   LEU  104 - HG13  ILE  119  12.97 +/- 3.52   3.484% *  0.7572% (1.00   0.02   0.02) =   0.056%
          QD1   LEU   73 - HG13  ILE  119  15.47 +/- 2.67   2.883% *  0.4287% (0.57   0.02   0.02) =   0.026%
          QD2   LEU   80 - HG13  ILE  119  18.81 +/- 3.53   1.310% *  0.6990% (0.92   0.02   0.02) =   0.020%
          QG1   VAL   83 - HG13  ILE  119  18.10 +/- 2.74   1.071% *  0.5498% (0.73   0.02   0.02) =   0.013%
          QG2   ILE   89 - HG13  ILE  119  13.55 +/- 1.56   1.889% *  0.1168% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.96 A violated in 0 structures by 0.17 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  10.45 +/- 3.15 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.67 A violated in 19 structures by 6.85 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.63, residual support = 23.8:
          QD    PHE   59 - HG13  ILE  119   2.94 +/- 0.73  96.488% * 98.4272% (0.95   3.63  23.85) =  99.980%  kept
          HE21  GLN   30 - HG13  ILE  119  19.50 +/- 3.71   2.010% *  0.5527% (0.97   0.02   0.02) =   0.012%
          HH2   TRP   49 - HG13  ILE  119  16.71 +/- 3.08   0.920% *  0.4784% (0.84   0.02   0.02) =   0.005%
          HD1   TRP   27 - HG13  ILE  119  21.95 +/- 3.73   0.582% *  0.5417% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.03, residual support = 267.1:
          HN    ILE  119 - HG13  ILE  119   3.35 +/- 0.81  95.585% * 99.2886% (0.80   8.03 267.13) =  99.992%  kept
          HN    CYS   21 - HG13  ILE  119  19.12 +/- 4.05   2.877% *  0.1053% (0.34   0.02   0.02) =   0.003%
          HN    ILE   89 - HG13  ILE  119  18.47 +/- 1.92   0.918% *  0.2980% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - HG13  ILE  119  23.01 +/- 3.72   0.620% *  0.3081% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.28, residual support = 23.8:
          QD    PHE   59 - HG12  ILE  119   2.57 +/- 0.54  98.129% * 99.0958% (0.84   4.28  23.85) =  99.995%  kept
          HH2   TRP   49 - HG12  ILE  119  16.48 +/- 3.00   1.203% *  0.1711% (0.31   0.02   0.02) =   0.002%
          HD1   TRP   27 - HG12  ILE  119  21.29 +/- 3.35   0.303% *  0.4631% (0.84   0.02   0.02) =   0.001%
          HE21  GLN   30 - HG12  ILE  119  19.14 +/- 3.18   0.365% *  0.2699% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.56, residual support = 267.1:
          HN    ILE  119 - HG12  ILE  119   2.75 +/- 0.56  98.467% * 99.3326% (0.80   8.56 267.13) =  99.997%  kept
          HN    ILE   89 - HG12  ILE  119  17.67 +/- 1.98   0.516% *  0.2796% (0.97   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE  119  22.68 +/- 3.20   0.319% *  0.2890% (1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HG12  ILE  119  18.71 +/- 3.78   0.697% *  0.0988% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.01 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   9.01 +/- 2.32 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.13 A violated in 19 structures by 5.90 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.299, support = 2.78, residual support = 4.47:
          QD2   LEU  115 - QD1   ILE  119   3.41 +/- 1.45  54.683% * 48.2669% (0.40  1.00   3.96   7.18) =  60.205%  kept
        T QD1   LEU   63 - QD1   ILE  119   5.53 +/- 2.54  38.084% * 45.5539% (0.15 10.00   1.00   0.37) =  39.573%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.45 +/- 2.67   1.476% *  4.0718% (0.66 10.00   0.02   0.02) =   0.137%  kept
        T QD1   LEU   73 - QD1   ILE  119  12.88 +/- 2.14   2.884% *  0.9146% (0.15 10.00   0.02   0.02) =   0.060%
          QG2   ILE   89 - QD1   ILE  119  11.32 +/- 1.46   1.308% *  0.3356% (0.55  1.00   0.02   0.02) =   0.010%
          QG1   VAL   83 - QD1   ILE  119  15.06 +/- 2.35   0.740% *  0.5915% (0.96  1.00   0.02   0.02) =   0.010%
          QD2   LEU   80 - QD1   ILE  119  15.52 +/- 3.18   0.825% *  0.2658% (0.43  1.00   0.02   0.02) =   0.005%
    Distance limit 2.61 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.92, residual support = 15.2:
        T HA    GLN  116 - QD1   ILE  119   2.88 +/- 0.73  89.624% * 99.4587% (0.51 10.00   3.92  15.17) =  99.989%  kept
          HA    VAL   70 - QD1   ILE  119  12.21 +/- 2.85   5.859% *  0.0995% (0.51  1.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - QD1   ILE  119  16.25 +/- 3.40   1.044% *  0.1514% (0.77  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QD1   ILE  119  18.26 +/- 3.09   0.834% *  0.1886% (0.96  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD1   ILE  119  13.68 +/- 2.48   1.548% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  20.77 +/- 2.96   0.502% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.15 +/- 2.64   0.589% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.828, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   9.68 +/- 2.74  51.754% * 81.6578% (0.96 10.00   0.02   0.02) =  82.686%  kept
        T QD    PHE   72 - QD1   ILE  119   9.77 +/- 2.23  48.246% * 18.3422% (0.21 10.00   0.02   0.02) =  17.314%  kept
    Distance limit 3.36 A violated in 19 structures by 5.09 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.622, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.48 +/- 1.28  55.000% * 23.3518% (0.47   0.02   0.02) =  44.920%  kept
          QE    PHE   72 - QD1   ILE  119   8.97 +/- 2.26  30.618% * 29.0981% (0.59   0.02   0.02) =  31.161%  kept
          HN    ALA   47 - QD1   ILE  119  11.84 +/- 1.83  14.382% * 47.5501% (0.96   0.02   0.02) =  23.919%  kept
    Distance limit 3.41 A violated in 18 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.858, support = 1.57, residual support = 16.9:
          HN    HIS  122 - QD1   ILE  119   6.03 +/- 0.70  25.522% * 98.2319% (0.87   1.59  16.87) =  98.551%  kept
          HN    PHE   59 - QD1   ILE  119   3.90 +/- 0.62  72.101% *  0.4686% (0.33   0.02  23.85) =   1.328%  kept
          HH2   TRP   87 - QD1   ILE  119  16.36 +/- 3.08   2.376% *  1.2995% (0.91   0.02   0.02) =   0.121%  kept
    Distance limit 3.56 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.99, residual support = 267.1:
          HN    ILE  119 - QD1   ILE  119   3.77 +/- 0.27  91.956% * 99.2838% (0.95   6.99 267.13) =  99.981%  kept
          HN    CYS   21 - QD1   ILE  119  15.82 +/- 3.12   4.579% *  0.2420% (0.81   0.02   0.02) =   0.012%
          HN    ILE   89 - QD1   ILE  119  15.52 +/- 1.89   1.720% *  0.2420% (0.81   0.02   0.02) =   0.005%
          HN    SER   37 - QD1   ILE  119  19.62 +/- 2.80   0.867% *  0.1875% (0.62   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE  119  19.68 +/- 2.70   0.878% *  0.0447% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.17, residual support = 28.2:
        T QD1   LEU  123 - HA    ALA  120   2.57 +/- 0.60  86.093% * 99.1996% (0.45 10.00   5.18  28.25) =  99.978%  kept
          QG1   VAL   70 - HA    ALA  120  11.70 +/- 3.94   4.921% *  0.1520% (0.69  1.00   0.02   0.02) =   0.009%
          HB3   LEU   63 - HA    ALA  120  12.45 +/- 3.75   2.339% *  0.2169% (0.98  1.00   0.02   0.02) =   0.006%
          QD1   LEU   71 - HA    ALA  120  16.13 +/- 4.60   3.740% *  0.0992% (0.45  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HA    ALA  120  15.83 +/- 4.01   0.944% *  0.1772% (0.80  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HA    ALA  120  15.59 +/- 1.75   0.562% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  15.80 +/- 6.24   1.401% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.554, support = 4.71, residual support = 21.7:
          HN    LEU  123 - HA    ALA  120   2.67 +/- 0.11  50.423% * 45.5613% (0.80   1.0   5.61  28.25) =  57.762%  kept
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.05  44.837% * 35.5329% (0.18  10.0   3.58  13.51) =  40.058%  kept
          HN    ALA  124 - HA    ALA  120   5.95 +/- 0.24   4.635% * 18.7029% (0.98   1.0   1.88   0.02) =   2.180%  kept
          HE21  GLN   17 - HA    ALA  120  22.89 +/- 4.57   0.104% *  0.2029% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 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 = 6.45, residual support = 313.2:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.01  95.098% * 99.7700% (0.45  10.0   6.45 313.21) =  99.999%  kept
          HZ2   TRP   49 - HA    LYS+ 121  22.89 +/- 3.82   0.333% *  0.2105% (0.95   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+  65  18.73 +/- 5.81   4.070% *  0.0132% (0.06   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 121 - HA    LYS+  65  16.30 +/- 1.63   0.498% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.916, support = 3.68, residual support = 7.12:
          HA    THR  118 - HB2   LYS+ 121   3.23 +/- 0.96  63.554% * 34.8468% (0.87   2.77   6.85) =  50.215%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.47 +/- 0.29  34.079% * 64.4177% (0.97   4.60   7.40) =  49.776%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.22 +/- 2.56   0.983% *  0.1645% (0.57   0.02   0.02) =   0.004%
          HB2   TRP   49 - HB2   LYS+ 121  23.71 +/- 3.31   0.343% *  0.2682% (0.92   0.02   0.02) =   0.002%
          HA    ALA   84 - HB2   LYS+ 121  20.64 +/- 2.87   0.388% *  0.2220% (0.76   0.02   0.02) =   0.002%
          HA    VAL   75 - HB2   LYS+ 121  17.86 +/- 2.69   0.653% *  0.0808% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.73, support = 2.61, residual support = 6.88:
        T HA    THR  118 - HB3   LYS+ 121   3.30 +/- 0.61  77.221% * 79.7409% (0.72 10.00   2.49   6.85) =  93.884%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.62 +/- 0.43  20.023% * 20.0263% (0.81  1.00   4.51   7.40) =   6.114%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.13 +/- 2.68   1.223% *  0.0520% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  24.64 +/- 3.38   0.475% *  0.0849% (0.77  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB3   LYS+ 121  21.26 +/- 3.02   0.428% *  0.0703% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  18.90 +/- 2.69   0.631% *  0.0256% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.37, residual support = 313.2:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.64 +/- 0.37  99.702% * 99.9582% (0.75  10.0   6.37 313.21) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  21.42 +/- 3.19   0.298% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.34, residual support = 55.3:
          HN    HIS  122 - HB3   LYS+ 121   4.15 +/- 0.28  94.348% * 99.5492% (0.75   6.34  55.33) =  99.990%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.49 +/- 1.56   4.401% *  0.1195% (0.28   0.02   0.02) =   0.006%
          HH2   TRP   87 - HB3   LYS+ 121  20.16 +/- 4.65   1.251% *  0.3314% (0.79   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.82, residual support = 55.3:
          HN    HIS  122 - HB2   LYS+ 121   3.31 +/- 0.08  89.517% * 99.2783% (0.41   7.82  55.33) =  99.975%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.26 +/- 0.60   9.241% *  0.2106% (0.34   0.02   0.02) =   0.022%
          HH2   TRP   87 - HB2   LYS+ 121  19.58 +/- 4.60   0.639% *  0.3005% (0.49   0.02   0.02) =   0.002%
          HD1   TRP   27 - HB2   LYS+ 121  22.27 +/- 4.50   0.602% *  0.2106% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.76 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 = 6.96, residual support = 313.2:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.38 +/- 0.28  99.797% * 99.9061% (0.92  10.0   6.96 313.21) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  20.65 +/- 3.17   0.203% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.474, support = 1.26, residual support = 12.7:
          QG2   ILE  119 - HB2   HIS  122   4.97 +/- 1.30  35.638% * 69.9433% (0.53   1.50  16.87) =  74.867%  kept
          QD2   LEU   67 - HB2   HIS  122   9.23 +/- 5.66  30.570% * 15.8556% (0.41   0.44   0.02) =  14.558%  kept
          QD1   LEU   40 - HB2   HIS  122   9.13 +/- 4.91  26.504% * 13.1544% (0.20   0.75   0.34) =  10.472%  kept
          QD2   LEU   71 - HB2   HIS  122  12.19 +/- 4.46   6.039% *  0.4420% (0.25   0.02   0.02) =   0.080%
          QD1   ILE  103 - HB2   HIS  122  15.43 +/- 3.73   1.250% *  0.6046% (0.34   0.02   0.02) =   0.023%
    Distance limit 3.58 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.545, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  11.46 +/- 5.96  27.597% * 20.0916% (0.69   0.02   0.02) =  46.077%  kept
          QD2   LEU  115 - HB2   HIS  122   9.94 +/- 1.70  26.016% * 12.0248% (0.41   0.02   0.02) =  25.997%  kept
          QD1   LEU   63 - HB2   HIS  122   8.36 +/- 2.34  32.470% *  4.5130% (0.15   0.02   0.02) =  12.177%  kept
          QG1   VAL   83 - HB2   HIS  122  20.08 +/- 3.57   2.351% * 29.1845% (1.00   0.02   0.02) =   5.703%  kept
          QG2   ILE   89 - HB2   HIS  122  16.85 +/- 1.81   3.697% * 16.5597% (0.57   0.02   0.02) =   5.087%  kept
          QD2   LEU   80 - HB2   HIS  122  20.88 +/- 4.15   2.811% * 13.1134% (0.45   0.02   0.02) =   3.063%  kept
          QD1   LEU   73 - HB2   HIS  122  15.84 +/- 2.58   5.058% *  4.5130% (0.15   0.02   0.02) =   1.897%  kept
    Distance limit 4.14 A violated in 15 structures by 2.41 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 71.0:
      O   HD2   HIS  122 - HB2   HIS  122   3.72 +/- 0.40  91.841% * 99.8219% (1.00  10.0   3.58  71.03) =  99.993%  kept
          HE22  GLN  116 - HB2   HIS  122  11.02 +/- 2.01   5.490% *  0.0996% (1.00   1.0   0.02   0.02) =   0.006%
          QD    PHE   45 - HB2   HIS  122  15.47 +/- 1.80   1.612% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   HIS  122  19.93 +/- 5.08   1.057% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 5.38, residual support = 71.0:
      O   HN    HIS  122 - HB2   HIS  122   3.42 +/- 0.46  88.068% * 99.7165% (0.41  10.0   5.38  71.03) =  99.988%  kept
          QD    PHE   59 - HB2   HIS  122   7.77 +/- 1.57  10.595% *  0.0827% (0.34   1.0   0.02   0.02) =   0.010%
          HH2   TRP   87 - HB2   HIS  122  20.79 +/- 4.98   0.861% *  0.1181% (0.49   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   HIS  122  22.41 +/- 3.75   0.475% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.27, residual support = 71.0:
      O   HD2   HIS  122 - HB3   HIS  122   3.09 +/- 0.45  94.219% * 99.8219% (1.00  10.0   4.27  71.03) =  99.995%  kept
          HE22  GLN  116 - HB3   HIS  122  10.44 +/- 2.21   4.321% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          QD    PHE   45 - HB3   HIS  122  15.16 +/- 2.18   0.908% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  20.50 +/- 5.02   0.552% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 6.58, residual support = 71.0:
      O   HN    HIS  122 - HB3   HIS  122   2.89 +/- 0.46  93.626% * 99.8567% (0.90  10.0   6.58  71.03) =  99.997%  kept
          HN    PHE   59 - HB3   HIS  122  10.21 +/- 2.65   5.905% *  0.0380% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   HIS  122  20.79 +/- 5.22   0.469% *  0.1053% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.414, support = 1.05, residual support = 10.2:
          QG2   ILE  119 - HB3   HIS  122   4.50 +/- 1.13  41.024% * 46.0952% (0.53  1.00   1.50  16.87) =  59.930%  kept
        T QD1   LEU   40 - HB3   HIS  122   9.62 +/- 4.97  23.217% * 41.7507% (0.20 10.00   0.36   0.34) =  30.721%  kept
          QD2   LEU   67 - HB3   HIS  122   9.74 +/- 5.50  25.459% * 11.4643% (0.41  1.00   0.48   0.02) =   9.250%  kept
          QD2   LEU   71 - HB3   HIS  122  12.69 +/- 4.76   9.214% *  0.2913% (0.25  1.00   0.02   0.02) =   0.085%
          QD1   ILE  103 - HB3   HIS  122  15.36 +/- 4.16   1.086% *  0.3985% (0.34  1.00   0.02   0.02) =   0.014%
    Distance limit 3.65 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.671, support = 3.05, residual support = 27.1:
          HA    ALA  120 - HG    LEU  123   2.98 +/- 0.98  77.732% * 75.6670% (0.68  1.00   3.14  28.25) =  95.327%  kept
          HA    LYS+ 121 - HG    LEU  123   6.77 +/- 0.62  13.860% * 20.5863% (0.47  1.00   1.23   2.59) =   4.624%  kept
        T HD2   PRO   52 - HG    LEU  123  20.95 +/- 4.70   0.618% *  1.2130% (0.17 10.00   0.02   0.02) =   0.012%
          HA    LYS+  65 - HG    LEU  123  16.83 +/- 3.44   1.547% *  0.4063% (0.57  1.00   0.02   0.02) =   0.010%
          QB    SER  117 - HG    LEU  123   9.19 +/- 0.92   3.627% *  0.1659% (0.23  1.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - HG    LEU  123  21.57 +/- 5.80   0.930% *  0.4363% (0.62  1.00   0.02   0.02) =   0.007%
          QB    SER   85 - HG    LEU  123  26.07 +/- 3.78   0.432% *  0.4363% (0.62  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - HG    LEU  123  19.70 +/- 2.86   0.468% *  0.3718% (0.52  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - HG    LEU  123  23.38 +/- 4.00   0.353% *  0.4220% (0.60  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HG    LEU  123  22.37 +/- 4.67   0.432% *  0.2951% (0.42  1.00   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.5, residual support = 201.7:
          HN    LEU  123 - HG    LEU  123   3.61 +/- 0.19  94.453% * 99.5293% (0.36   5.50 201.74) =  99.981%  kept
          HZ2   TRP   49 - HG    LEU  123  22.82 +/- 5.05   4.994% *  0.3346% (0.33   0.02   0.02) =   0.018%
          HE21  GLN   17 - HG    LEU  123  22.71 +/- 5.09   0.553% *  0.1361% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 3.06, residual support = 27.3:
          HA    ALA  120 - HB3   LEU  123   3.50 +/- 0.46  78.855% * 78.2364% (0.99   3.14  28.25) =  96.405%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.69 +/- 0.30  11.970% * 19.0184% (0.69   1.10   2.59) =   3.557%  kept
          QB    SER  117 - HB3   LEU  123  10.09 +/- 0.58   3.426% *  0.1716% (0.34   0.02   0.02) =   0.009%
          HA    LYS+  65 - HB3   LEU  123  17.74 +/- 3.78   0.892% *  0.4201% (0.84   0.02   0.02) =   0.006%
          QB    SER   48 - HB3   LEU  123  24.59 +/- 4.11   0.848% *  0.4363% (0.87   0.02   0.02) =   0.006%
          HA2   GLY   16 - HB3   LEU  123  21.90 +/- 6.56   0.595% *  0.4511% (0.90   0.02   0.02) =   0.004%
          HA2   GLY   51 - HB3   LEU  123  23.82 +/- 4.52   0.822% *  0.3051% (0.61   0.02   0.02) =   0.004%
          HD2   PRO   52 - HB3   LEU  123  22.41 +/- 4.68   1.765% *  0.1254% (0.25   0.02   0.02) =   0.003%
          HB    THR   94 - HB3   LEU  123  20.97 +/- 2.86   0.514% *  0.3844% (0.76   0.02   0.02) =   0.003%
          QB    SER   85 - HB3   LEU  123  26.98 +/- 3.67   0.314% *  0.4511% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.916, support = 5.35, residual support = 172.3:
      O   HN    LEU  123 - HB3   LEU  123   3.44 +/- 0.27  41.535% * 88.3778% (0.98  10.0   5.50 201.74) =  84.490%  kept
          HN    ALA  124 - HB3   LEU  123   3.12 +/- 0.35  58.288% * 11.5602% (0.57   1.0   4.53  11.93) =  15.509%  kept
          HE21  GLN   17 - HB3   LEU  123  23.36 +/- 5.53   0.178% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.94, support = 2.87, residual support = 24.0:
          HA    ALA  120 - HB2   LEU  123   2.12 +/- 0.42  90.904% * 24.8079% (0.99  1.00   3.18  28.25) =  83.330%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.33 +/- 0.56   6.160% * 73.1467% (0.69 10.00   1.35   2.59) =  16.649%  kept
        T HA    LYS+  65 - HB2   LEU  123  17.29 +/- 3.25   0.278% *  1.3167% (0.84 10.00   0.02   0.02) =   0.014%
          QB    SER  117 - HB2   LEU  123   8.86 +/- 0.48   1.566% *  0.0538% (0.34  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HB2   LEU  123  21.66 +/- 6.20   0.213% *  0.1414% (0.90  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   LEU  123  19.73 +/- 2.67   0.171% *  0.1205% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   LEU  123  23.87 +/- 3.63   0.146% *  0.1367% (0.87  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LEU  123  23.21 +/- 4.08   0.177% *  0.0956% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU  123  25.94 +/- 3.49   0.093% *  0.1414% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  21.64 +/- 4.27   0.291% *  0.0393% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.971, support = 5.91, residual support = 197.5:
      O   HN    LEU  123 - HB2   LEU  123   2.30 +/- 0.27  83.989% * 89.1159% (0.98  10.0   5.95 201.74) =  97.761%  kept
          HN    ALA  124 - HB2   LEU  123   4.18 +/- 0.10  15.838% * 10.8217% (0.57   1.0   4.20  11.93) =   2.239%  kept
          HE21  GLN   17 - HB2   LEU  123  23.05 +/- 5.21   0.174% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.56, support = 5.14, residual support = 27.8:
        T HA    ALA  120 - QD1   LEU  123   2.57 +/- 0.60  74.233% * 93.4925% (0.57 10.00   5.18  28.25) =  98.393%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.24 +/- 0.84  22.062% *  5.1159% (0.20  1.00   3.13   2.59) =   1.600%  kept
        T HA    SER   48 - QD1   LEU  123  19.95 +/- 3.29   0.222% *  0.5097% (0.31 10.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU  123  13.14 +/- 2.61   0.710% *  0.1562% (0.95  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - QD1   LEU  123  16.92 +/- 3.86   0.656% *  0.1262% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  123  17.14 +/- 4.53   0.487% *  0.1481% (0.90  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD1   LEU  123  21.46 +/- 2.56   0.284% *  0.0935% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  21.23 +/- 3.02   0.171% *  0.1481% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.84 +/- 2.33   0.373% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  18.92 +/- 2.96   0.260% *  0.0563% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  21.63 +/- 2.49   0.147% *  0.0869% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  18.10 +/- 3.82   0.396% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.579, support = 1.83, residual support = 9.21:
      O   HN    ALA  124 - QB    ALA  124   2.36 +/- 0.30  89.148% * 79.2215% (0.57  10.0   1.80   9.13) =  97.000%  kept
          HN    LEU  123 - QB    ALA  124   5.38 +/- 0.41  10.564% * 20.6720% (0.98   1.0   2.72  11.93) =   2.999%  kept
          HE21  GLN   17 - QB    ALA  124  19.62 +/- 5.51   0.288% *  0.1065% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.977, support = 1.82, residual support = 9.17:
      O   HN    ALA  124 - HA    ALA  124   2.75 +/- 0.24  83.957% * 88.8955% (0.98  10.0   1.80   9.13) =  98.298%  kept
          HN    LEU  123 - HA    ALA  124   5.52 +/- 0.35  11.796% * 10.9520% (0.80   1.0   2.72  11.93) =   1.701%  kept
          HN    ALA  120 - HA    ALA  124   9.71 +/- 0.54   2.152% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  23.73 +/- 6.16   0.204% *  0.1005% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  14.15 +/- 2.67   1.028% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  22.68 +/- 5.45   0.300% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  20.96 +/- 4.58   0.334% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.18 +/- 3.38   0.229% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.928, support = 4.65, residual support = 67.7:
      O   HN    ALA  124 - HA    LEU  123   2.28 +/- 0.02  64.608% * 55.0021% (0.98  10.0   4.12  11.93) =  70.644%  kept
      O   HN    LEU  123 - HA    LEU  123   2.86 +/- 0.06  32.865% * 44.9320% (0.80  10.0   5.92 201.74) =  29.356%  kept
          HN    ALA  120 - HA    LEU  123   6.87 +/- 0.35   2.414% *  0.0098% (0.18   1.0   0.02  28.25) =   0.000%
          HE21  GLN   17 - HA    LEU  123  21.62 +/- 5.78   0.113% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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  17.86 +/- 5.13 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.33 A violated in 20 structures by 14.53 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.99, residual support = 23.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.34 +/- 0.12  99.176% * 99.7350% (0.69  10.0   5.99  23.36) =  99.999%  kept
          HN    GLN   90 - HA    LYS+ 102  19.39 +/- 3.40   0.213% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  22.82 +/- 5.50   0.190% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  20.66 +/- 4.34   0.238% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.25 +/- 0.79   0.184% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 14.5:
      O   HN    PHE   95 - HA    THR   94   2.26 +/- 0.13 100.000% *100.0000% (0.73  10.0   3.16  14.50) = 100.000%  kept
    Distance limit 2.49 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 = 5.89, residual support = 86.7:
      O   HN    LEU   80 - HB2   LEU   80   3.22 +/- 0.55  95.703% * 99.7811% (1.00  10.0   5.89  86.69) =  99.997%  kept
          HN    CYS   53 - HB2   LEU   80  17.44 +/- 3.90   1.849% *  0.0946% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HB2   LEU   80  21.22 +/- 6.23   0.983% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  20.21 +/- 7.17   1.466% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.33, residual support = 86.7:
      O   HN    LEU   80 - HB3   LEU   80   3.32 +/- 0.33  96.642% * 99.7811% (1.00  10.0   6.33  86.69) =  99.997%  kept
          HN    CYS   53 - HB3   LEU   80  17.30 +/- 3.88   1.663% *  0.0946% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HB3   LEU   80  21.68 +/- 6.38   0.674% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  20.71 +/- 7.32   1.020% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.42, residual support = 86.5:
      O   HA    LEU   80 - HB3   LEU   80   2.89 +/- 0.12  86.110% * 96.8024% (0.98  10.0   5.43  86.69) =  99.756%  kept
          HA    ASP-  78 - HB3   LEU   80   7.02 +/- 0.59   6.680% *  2.9566% (0.61   1.0   0.99   5.64) =   0.236%  kept
          HA    THR   23 - HB3   LEU   80  13.84 +/- 6.85   4.596% *  0.0886% (0.90   1.0   0.02   0.39) =   0.005%
          HB    THR   23 - HB3   LEU   80  15.25 +/- 6.73   2.312% *  0.0886% (0.90   1.0   0.02   0.39) =   0.002%
          HA    ASP- 105 - HB3   LEU   80  21.01 +/- 3.53   0.302% *  0.0639% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.459, support = 4.32, residual support = 86.6:
      O   QD2   LEU   80 - HB3   LEU   80   3.00 +/- 0.29  39.720% * 77.3053% (0.57  10.0  1.00   4.16  86.69) =  75.171%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.63 +/- 0.39  54.674% * 18.4793% (0.14  10.0  1.00   4.83  86.69) =  24.734%  kept
        T QD1   LEU   73 - HB3   LEU   80  11.22 +/- 4.28   2.234% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.069%
        T QD1   LEU   63 - HB3   LEU   80  15.44 +/- 3.20   0.397% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T QD2   LEU   63 - HB3   LEU   80  15.66 +/- 2.75   0.346% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - HB3   LEU   80  18.15 +/- 2.81   0.200% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   LEU   80  16.03 +/- 3.61   0.947% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HB3   LEU   80  14.61 +/- 4.19   0.592% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  13.28 +/- 4.22   0.889% *  0.0185% (0.14   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.96, residual support = 86.5:
      O   HA    LEU   80 - HG    LEU   80   3.52 +/- 0.31  59.687% * 97.1665% (0.63  10.0   4.97  86.69) =  99.802%  kept
          HA    ASP-  78 - HG    LEU   80   8.40 +/- 0.68   4.801% *  1.9969% (0.39   1.0   0.66   5.64) =   0.165%  kept
          HA    THR   23 - HG    LEU   80  13.71 +/- 7.59   8.047% *  0.0889% (0.58   1.0   0.02   0.39) =   0.012%
          HB    THR   23 - HG    LEU   80  15.02 +/- 7.49   3.343% *  0.0889% (0.58   1.0   0.02   0.39) =   0.005%
          HA    THR   23 - HG    LEU   73   9.45 +/- 1.96   6.407% *  0.0353% (0.23   1.0   0.02   0.61) =   0.004%
          HB    THR   23 - HG    LEU   73  10.19 +/- 2.12   4.151% *  0.0353% (0.23   1.0   0.02   0.61) =   0.003%
          HA    ASP- 105 - HG    LEU   40  12.20 +/- 3.76   2.465% *  0.0483% (0.31   1.0   0.02   0.02) =   0.002%
          HA    LEU   80 - HG    LEU   73  14.94 +/- 4.40   1.983% *  0.0386% (0.25   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG12  ILE   19  12.24 +/- 1.91   2.191% *  0.0303% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.37 +/- 1.27   1.679% *  0.0303% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  18.85 +/- 2.52   0.505% *  0.0669% (0.44   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   73  17.09 +/- 3.92   1.204% *  0.0255% (0.17   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  19.41 +/- 2.31   0.416% *  0.0669% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.70 +/- 3.14   0.324% *  0.0731% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  22.24 +/- 3.84   0.321% *  0.0641% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.78 +/- 1.71   0.834% *  0.0239% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  19.52 +/- 4.33   0.525% *  0.0331% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  22.13 +/- 1.32   0.266% *  0.0452% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.31 +/- 4.37   0.454% *  0.0218% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.93 +/- 3.05   0.398% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.192, support = 5.24, residual support = 150.0:
          HN    LEU   73 - HG    LEU   73   2.66 +/- 0.81  37.951% * 40.3342% (0.20   5.67 172.65) =  76.690%  kept
          HN    ILE   19 - HG12  ILE   19   3.32 +/- 0.94  26.829% *  7.6348% (0.03   6.20 168.63) =  10.262%  kept
          HN    VAL   42 - HG    LEU   40   5.27 +/- 0.85   5.162% * 31.8033% (0.37   2.36   1.42) =   8.226%  kept
          HN    VAL   42 - HG    LEU   73   7.02 +/- 2.81   3.606% *  8.8899% (0.20   1.25   0.51) =   1.606%  kept
          HN    LEU   73 - HG12  ILE   19   6.46 +/- 3.07   9.426% *  3.1312% (0.17   0.51   5.40) =   1.479%  kept
          HN    ILE   19 - HG    LEU   73   6.25 +/- 3.42   4.476% *  4.1025% (0.04   2.86   5.40) =   0.920%  kept
          HN    VAL   42 - HG12  ILE   19   9.34 +/- 3.71   7.526% *  2.0153% (0.17   0.33   0.02) =   0.760%  kept
          HN    LEU   73 - HG    LEU   40   8.70 +/- 1.51   1.644% *  0.2697% (0.37   0.02   0.02) =   0.022%
          HN    LEU   73 - HG    LEU   80  14.66 +/- 5.29   0.687% *  0.3584% (0.49   0.02   0.02) =   0.012%
          HN    LYS+ 106 - HG    LEU   40  13.09 +/- 3.40   0.512% *  0.2948% (0.41   0.02   0.02) =   0.008%
          HN    VAL   42 - HG    LEU   80  16.78 +/- 5.44   0.316% *  0.3584% (0.49   0.02   0.02) =   0.006%
          HN    LYS+ 106 - HG    LEU   73  17.05 +/- 3.75   0.491% *  0.1555% (0.21   0.02   0.02) =   0.004%
          HN    ILE   19 - HG    LEU   40  10.37 +/- 1.59   0.798% *  0.0545% (0.08   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   80  21.29 +/- 3.44   0.086% *  0.3918% (0.54   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   80  17.26 +/- 6.10   0.324% *  0.0724% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.62 +/- 4.07   0.168% *  0.1333% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 0.763, support = 5.98, residual support = 172.7:
      O T HA    LYS+  99 - HB3   LYS+  99   2.77 +/- 0.31  77.129% * 93.2462% (0.76  10.0 10.00   6.04 174.58) =  98.840%  kept
          HA    LEU   40 - HB3   LYS+  99   7.17 +/- 5.48  17.696% *  4.7281% (0.65   1.0  1.00   1.20   9.41) =   1.150%  kept
          HA    ASN   35 - HB3   LYS+  99  12.58 +/- 5.30   2.321% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ILE   56 - HB3   LYS+  99  22.92 +/- 3.33   0.209% *  1.1263% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASP- 113 - HB3   LYS+  99  22.00 +/- 2.23   0.176% *  0.5016% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  18.69 +/- 7.28   0.710% *  0.1196% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  17.84 +/- 5.01   0.910% *  0.0547% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LYS+  99  22.36 +/- 5.62   0.486% *  0.0547% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  20.41 +/- 3.27   0.362% *  0.0594% (0.49   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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.88, residual support = 174.5:
      O   HN    LYS+  99 - HB3   LYS+  99   3.10 +/- 0.39  81.902% * 99.4797% (0.31  10.0   3.88 174.58) =  99.977%  kept
          HE1   HIS  122 - HB3   LYS+  99  14.53 +/- 7.96  15.249% *  0.0804% (0.25   1.0   0.02   0.02) =   0.015%
          HN    ASN   35 - HB3   LYS+  99  13.29 +/- 4.77   2.122% *  0.2692% (0.84   1.0   0.02   0.02) =   0.007%
          HN    ALA   12 - HB3   LYS+  99  24.88 +/- 5.07   0.223% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  21.02 +/- 5.60   0.504% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 1.99, residual support = 18.6:
        T QD1   LEU  104 - HB3   LYS+  99   2.64 +/- 0.76  96.882% * 97.6979% (0.41 10.00   1.99  18.65) =  99.980%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.06 +/- 2.12   0.792% *  1.9945% (0.84 10.00   0.02   0.02) =   0.017%
          QG1   VAL   83 - HB3   LYS+  99  17.21 +/- 3.43   0.968% *  0.2071% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   LYS+  99  15.45 +/- 0.97   0.902% *  0.0473% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  19.69 +/- 4.01   0.456% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.761, support = 1.91, residual support = 9.23:
        T QD2   LEU   40 - HB3   LYS+  99   5.60 +/- 4.79  52.578% * 96.1032% (0.76 10.00   1.93   9.41) =  98.070%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.82 +/- 0.65  27.236% *  3.5832% (0.61  1.00   0.91   0.41) =   1.894%  kept
          QD1   LEU   67 - HB3   LYS+  99  12.25 +/- 4.43  15.681% *  0.0946% (0.73  1.00   0.02   0.02) =   0.029%
          HB    VAL   75 - HB3   LYS+  99  15.98 +/- 1.61   1.788% *  0.1232% (0.95  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB3   LYS+  99  19.57 +/- 2.36   1.039% *  0.0634% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  15.38 +/- 3.02   1.677% *  0.0325% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 5 structures by 0.78 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.64, residual support = 174.6:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.79 +/- 0.22  90.380% * 99.4593% (0.97  10.0   5.64 174.58) =  99.993%  kept
          HG2   LYS+  38 - HB3   LYS+  99  12.23 +/- 5.64   2.191% *  0.1028% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HB3   LYS+  99  13.59 +/- 4.17   2.548% *  0.0708% (0.69   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB3   LYS+  99  16.61 +/- 4.29   1.503% *  0.0424% (0.41   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   LYS+  99  16.57 +/- 3.34   0.566% *  0.0894% (0.87   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+  99  16.97 +/- 7.23   1.276% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.00 +/- 1.89   0.482% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.64 +/- 1.75   0.612% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  23.33 +/- 3.50   0.208% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  22.38 +/- 4.27   0.234% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 174.6:
      O T HB2   LYS+  99 - HA    LYS+  99   2.62 +/- 0.29  88.184% * 99.7492% (0.99  10.0 10.00   7.00 174.58) =  99.991%  kept
          HB3   GLN   17 - HA    LYS+  99  17.08 +/- 5.00   7.979% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  81 - HA    LYS+  99  23.36 +/- 4.68   2.371% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   43 - HA    LYS+  99  11.47 +/- 1.61   1.465% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.701, support = 5.23, residual support = 181.9:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.70 +/- 0.33  28.294% * 58.3907% (0.99  10.0  1.00   5.23 174.58) =  55.446%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.36 +/- 0.15  40.095% * 20.0954% (0.34  10.0 10.00   5.27 174.58) =  27.040%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.74 +/- 0.24  26.132% * 19.9563% (0.34  10.0 10.00   5.18 216.60) =  17.502%  kept
        T QD    LYS+ 106 - HG12  ILE   89   9.58 +/- 2.95   1.356% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.003%
        T HB    ILE   89 - HG3   LYS+  99  20.19 +/- 3.22   0.137% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+  99  19.58 +/- 3.13   0.103% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG3   LYS+  99  12.40 +/- 1.07   0.298% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+  38  10.52 +/- 5.61   1.409% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  17.94 +/- 2.92   0.184% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HG12  ILE   89  13.45 +/- 2.41   0.521% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.14 +/- 3.56   0.073% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  12.32 +/- 6.10   0.639% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.04 +/- 2.81   0.117% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.08 +/- 3.58   0.089% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  16.45 +/- 2.85   0.161% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  14.84 +/- 2.57   0.243% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  25.59 +/- 2.78   0.035% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.82 +/- 2.54   0.114% *  0.0011% (0.02   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.42, residual support = 174.5:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.70 +/- 0.29  84.948% * 97.9462% (0.99  10.0 10.00   6.42 174.58) =  99.958%  kept
        T HB    VAL   43 - HG12  ILE   89   8.24 +/- 1.83   5.546% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.025%
        T HB    VAL   43 - HG3   LYS+  99  13.87 +/- 1.40   0.747% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LYS+  99 - HG3   LYS+  38  12.15 +/- 5.75   2.139% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG12  ILE   89  17.72 +/- 2.79   0.448% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG3   LYS+  99  25.27 +/- 4.92   1.183% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  18.01 +/- 5.24   2.037% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  10.89 +/- 1.95   2.002% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG12  ILE   89  22.67 +/- 3.14   0.172% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  18.35 +/- 1.42   0.307% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  17.40 +/- 3.06   0.388% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  29.41 +/- 3.47   0.082% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 111.9:
    * O   HA    GLN  116 - HG3   GLN  116   3.30 +/- 0.56  93.514% * 99.5202% (1.00  10.0   5.18 111.91) =  99.996%  kept
          HB2   SER   82 - HG3   GLN  116  26.15 +/- 6.11   3.020% *  0.0604% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG3   GLN  116  18.73 +/- 3.93   0.748% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  20.37 +/- 3.35   0.600% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  19.33 +/- 3.52   1.030% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  28.76 +/- 3.83   0.213% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  28.89 +/- 3.71   0.230% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  25.72 +/- 4.19   0.290% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  23.62 +/- 3.90   0.354% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 5.69, residual support = 111.9:
      O   HB2   GLN  116 - HG3   GLN  116   2.49 +/- 0.31  94.201% * 99.6757% (0.98  10.0   5.69 111.91) =  99.997%  kept
          HB2   PRO   58 - HG3   GLN  116   9.64 +/- 1.66   4.043% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG3   GLN  116  15.52 +/- 2.42   0.664% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG3   GLN  116  20.27 +/- 5.22   0.872% *  0.0576% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG3   GLN  116  25.87 +/- 2.39   0.113% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  27.14 +/- 2.89   0.106% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 6.59, residual support = 99.5:
          QD2   LEU  115 - HG3   GLN  116   4.34 +/- 0.98  63.327% * 98.7295% (0.97   6.59  99.60) =  99.890%  kept
          QD1   LEU   63 - HG3   GLN  116  10.16 +/- 3.35  14.526% *  0.2131% (0.69   0.02   0.02) =   0.049%
          QD2   LEU   80 - HG3   GLN  116  20.20 +/- 4.98   6.519% *  0.3041% (0.98   0.02   0.02) =   0.032%
          QD1   LEU   73 - HG3   GLN  116  18.06 +/- 3.47   2.696% *  0.2131% (0.69   0.02   0.02) =   0.009%
          QD2   LEU   63 - HG3   GLN  116  10.95 +/- 3.20   9.771% *  0.0479% (0.15   0.02   0.02) =   0.007%
          QD1   LEU  104 - HG3   GLN  116  15.74 +/- 2.25   1.467% *  0.3041% (0.98   0.02   0.02) =   0.007%
          QG1   VAL   83 - HG3   GLN  116  19.53 +/- 3.57   1.695% *  0.1882% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.88 A violated in 1 structures by 0.60 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.43, residual support = 111.7:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  92.306% * 97.1491% (0.98  10.0  1.00   5.44 111.91) =  99.774%  kept
          HB3   PHE   95 - HG3   GLN  116  11.25 +/- 2.34   7.656% *  2.6547% (0.95   1.0  1.00   0.57   0.02) =   0.226%  kept
        T HG2   GLU-  25 - HG3   GLN  116  30.60 +/- 5.49   0.039% *  0.1961% (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 = 0.686, support = 4.15, residual support = 111.7:
      O   HE21  GLN  116 - HG3   GLN  116   3.41 +/- 0.50  73.707% * 99.1439% (0.69  10.0   4.16 111.91) =  99.851%  kept
          HN    ALA  120 - HG3   GLN  116   6.64 +/- 1.32  16.775% *  0.5842% (0.31   1.0   0.26   0.19) =   0.134%  kept
          HN    ALA   57 - HG3   GLN  116   9.64 +/- 2.22   6.819% *  0.1103% (0.76   1.0   0.02   0.02) =   0.010%
          HE21  GLN   90 - HG3   GLN  116  21.01 +/- 5.00   2.553% *  0.1393% (0.97   1.0   0.02   0.02) =   0.005%
          HD21  ASN   35 - HG3   GLN  116  29.21 +/- 3.22   0.145% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.696, support = 6.95, residual support = 105.7:
          HN    GLN  116 - HG3   GLN  116   3.90 +/- 0.38  62.189% * 82.1551% (0.69   7.30 111.91) =  94.461%  kept
          HN    THR  118 - HG3   GLN  116   6.55 +/- 0.79  17.858% * 15.1274% (0.92   1.00   0.13) =   4.995%  kept
          HN    GLU- 114 - HG3   GLN  116   7.19 +/- 1.06  12.070% *  2.2302% (0.25   0.55   1.78) =   0.498%  kept
          HN    PHE   60 - HG3   GLN  116   9.52 +/- 2.09   7.640% *  0.3277% (1.00   0.02   0.02) =   0.046%
          HN    GLU-  15 - HG3   GLN  116  27.18 +/- 3.46   0.243% *  0.1595% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.912, support = 6.55, residual support = 177.9:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  42.075% * 82.3713% (1.00  10.0 10.00   6.56 174.58) =  90.378%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  42.075% *  8.3137% (0.10  10.0 10.00   6.57 219.92) =   9.122%  kept
          QB    ALA   88 - HG12  ILE   89   4.83 +/- 0.63   2.367% *  5.9203% (0.28   1.0  1.00   5.15   9.52) =   0.365%  kept
          QB    ALA   84 - HG12  ILE   89   4.74 +/- 1.55   5.608% *  0.8225% (0.07   1.0  1.00   2.81  12.73) =   0.120%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  11.03 +/- 5.85   0.374% *  0.7967% (0.97   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  99 - HG3   LYS+  38  10.77 +/- 6.72   0.838% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HG3   LYS+  99  13.50 +/- 3.87   0.580% *  0.0716% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  16.01 +/- 3.37   0.119% *  0.3091% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HG12  ILE   89   6.46 +/- 2.42   1.953% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG3   LYS+  99  25.16 +/- 3.57   0.020% *  0.7621% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.79 +/- 1.24   0.676% *  0.0206% (0.25   1.0  1.00   0.02  18.27) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.69 +/- 1.80   0.362% *  0.0243% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.20 +/- 1.89   0.374% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.57 +/- 3.93   0.112% *  0.0501% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.72 +/- 3.67   0.084% *  0.0567% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89   9.12 +/- 2.19   0.775% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.30 +/- 7.43   0.132% *  0.0282% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  19.28 +/- 3.86   0.178% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.71 +/- 1.55   0.053% *  0.0402% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.23 +/- 2.09   0.250% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.27 +/- 4.44   0.031% *  0.0599% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  15.47 +/- 2.02   0.079% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.79 +/- 3.29   0.189% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  18.65 +/- 4.23   0.054% *  0.0290% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  19.78 +/- 2.90   0.041% *  0.0334% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.01 +/- 2.04   0.049% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  24.24 +/- 2.45   0.018% *  0.0323% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.99 +/- 5.58   0.184% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.55 +/- 1.74   0.025% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  22.36 +/- 2.39   0.023% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  15.20 +/- 5.02   0.120% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.28 +/- 2.72   0.035% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.40 +/- 2.36   0.039% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.24 +/- 3.15   0.026% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  27.39 +/- 5.27   0.015% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.59 +/- 3.75   0.009% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.93 +/- 1.38   0.023% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  23.46 +/- 3.02   0.021% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.07 +/- 2.62   0.015% *  0.0013% (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        :   1245
      with multiple volume contributions     :    986
      eliminated by violation filter         :     90
 
    Peaks:
      selected                               :   2700
      without assignment                     :    113
      with assignment                        :   2587
      with unique assignment                 :   1545
      with multiple assignment               :   1042
      with reference assignment              :   1605
      with identical reference assignment    :   1015
      with compatible reference assignment   :    582
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    982
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QD1   LEU   40       2.7
    QD2   LEU   40       3.9
    QG2   ILE   56       3.0
    HN    LYS+  65       5.1
    HZ    PHE   72       3.5
    HD2   PRO   93       3.0
    HA    THR  118       4.0
    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 = 3.95, residual support = 72.4:
        T HA    PHE   60 - QD    PHE   60   2.78 +/- 0.41  76.241% * 98.3426% (0.87 10.00   3.96  72.42) =  99.950%  kept
        T QB    SER  117 - QD    PHE   60  12.11 +/- 1.98   1.309% *  1.0168% (0.90 10.00   0.02   0.02) =   0.018%
        T QB    SER   48 - QD    PHE   60  11.65 +/- 2.90   3.109% *  0.4255% (0.38 10.00   0.02   0.02) =   0.018%
          HB    THR   94 - QD    PHE   60  10.25 +/- 3.94  15.451% *  0.0552% (0.49  1.00   0.02   0.02) =   0.011%
          HA2   GLY   51 - QD    PHE   60  11.41 +/- 1.83   2.068% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  13.77 +/- 2.03   0.896% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  12.88 +/- 1.21   0.926% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.686, support = 1.02, residual support = 70.6:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  94.236% * 80.9295% (0.69  10.0   1.00  70.62) =  99.030%  kept
          HN    TRP   87 - HZ3   TRP   87   7.19 +/- 0.31   4.009% * 18.5958% (0.61   1.0   2.60  70.62) =   0.968%  kept
          HN    ALA   91 - HZ3   TRP   87  13.53 +/- 1.45   0.709% *  0.0727% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLN   17 - HZ3   TRP   87  20.09 +/- 3.57   0.257% *  0.1801% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HZ3   TRP   87  17.30 +/- 2.44   0.478% *  0.0884% (0.38   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  20.06 +/- 4.31   0.312% *  0.1334% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 4.17 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  18.63 +/- 2.37 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.07 A violated in 20 structures by 13.56 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 1.11, residual support = 5.39:
          QB    ALA   20 - HE1   HIS   22   3.69 +/- 1.32  79.466% * 76.3494% (0.76   1.16   5.72) =  94.281%  kept
          QG2   VAL  107 - HE1   HIS   22  18.86 +/- 4.18  18.205% * 20.1202% (0.95   0.25   0.02) =   5.692%  kept
          HG13  ILE  103 - HE1   HIS   22  21.75 +/- 4.53   0.880% *  0.9055% (0.53   0.02   0.02) =   0.012%
          HG2   LYS+ 121 - HE1   HIS   22  26.66 +/- 4.36   0.257% *  1.7173% (1.00   0.02   0.02) =   0.007%
          HG13  ILE  119 - HE1   HIS   22  22.43 +/- 4.51   0.582% *  0.4785% (0.28   0.02   0.02) =   0.004%
          HB3   LEU   31 - HE1   HIS   22  17.73 +/- 1.00   0.611% *  0.4292% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.44, support = 4.35, residual support = 35.6:
          HN    ASN   28 - HD1   TRP   27   3.09 +/- 0.50  82.193% * 35.4374% (0.25   5.06  47.75) =  74.309%  kept
          HN    GLU-  25 - HD1   TRP   27   5.44 +/- 0.79  15.737% * 63.9258% (0.99   2.30   0.58) =  25.664%  kept
          HN    ASP-  44 - HD1   TRP   27  12.36 +/- 2.70   1.854% *  0.5502% (0.98   0.02   0.02) =   0.026%
          HN    ALA  110 - HD1   TRP   27  25.04 +/- 3.77   0.216% *  0.0866% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 2.34, residual support = 106.9:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.34 106.93) = 100.000%  kept
    Distance limit 3.87 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 = 1.55, residual support = 106.9:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  98.333% * 99.9800% (0.89  10.0   1.55 106.93) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  13.06 +/- 2.28   1.667% *  0.0200% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.956, support = 4.17, residual support = 106.9:
          HA    TRP   27 - HE3   TRP   27   2.93 +/- 0.50  94.994% * 98.5437% (0.96   4.17 106.93) =  99.991%  kept
          HA    VAL  107 - HE3   TRP   27  18.44 +/- 2.75   0.723% *  0.4520% (0.91   0.02   0.02) =   0.003%
          HA    ALA   91 - HE3   TRP   27  20.34 +/- 3.41   0.421% *  0.4853% (0.98   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    LEU   67  15.54 +/- 1.78   1.096% *  0.0735% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  23.30 +/- 3.17   0.356% *  0.1838% (0.37   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  17.35 +/- 2.02   0.590% *  0.0703% (0.14   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  21.22 +/- 2.52   0.440% *  0.0755% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  18.92 +/- 2.89   0.838% *  0.0286% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  24.12 +/- 3.04   0.254% *  0.0755% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  22.07 +/- 2.75   0.288% *  0.0118% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 106.9:
      O   HB3   TRP   27 - HE3   TRP   27   2.69 +/- 0.19  85.378% * 98.0783% (0.17  10.0   4.50 106.93) =  99.966%  kept
          QE    LYS+  99 - HE3   TRP   27  13.12 +/- 3.34   2.621% *  0.4678% (0.83   1.0   0.02   0.02) =   0.015%
          QE    LYS+  38 - HE3   TRP   27  14.33 +/- 2.84   0.959% *  0.5551% (0.98   1.0   0.02   0.02) =   0.006%
          HB2   PHE   97 - HE3   TRP   27  13.70 +/- 3.52   5.962% *  0.0864% (0.15   1.0   0.02   0.02) =   0.006%
          QE    LYS+ 102 - HE3   TRP   27  16.05 +/- 3.54   0.650% *  0.5405% (0.96   1.0   0.02   0.02) =   0.004%
          QE    LYS+  99 - HN    LEU   67  14.25 +/- 4.57   1.700% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  16.31 +/- 2.85   0.648% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  20.28 +/- 3.00   0.477% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  14.59 +/- 3.44   0.895% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  15.61 +/- 2.32   0.711% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.607, support = 2.37, residual support = 14.1:
          QD2   LEU   73 - HE3   TRP   27   3.28 +/- 2.21  34.109% * 17.7441% (0.28   3.25  25.20) =  41.881%  kept
          QG1   VAL   43 - HE3   TRP   27   7.24 +/- 3.49   9.588% * 43.8156% (0.99   2.23   3.40) =  29.071%  kept
          QG1   VAL   41 - HE3   TRP   27   6.94 +/- 2.47  10.015% * 23.7739% (0.94   1.28   0.36) =  16.476%  kept
          HG    LEU   31 - HE3   TRP   27   4.42 +/- 0.77  15.575% * 10.4253% (0.41   1.29  22.59) =  11.236%  kept
          QD2   LEU  104 - HE3   TRP   27  12.35 +/- 3.70   5.012% *  2.7894% (0.34   0.42   0.73) =   0.967%  kept
          QG2   VAL   18 - HN    LEU   67   6.34 +/- 3.14  11.046% *  0.3059% (0.14   0.11   0.02) =   0.234%  kept
          QD1   ILE   19 - HE3   TRP   27   6.94 +/- 1.40   4.323% *  0.1914% (0.48   0.02   0.02) =   0.057%
          QG2   VAL   18 - HE3   TRP   27   8.73 +/- 1.25   1.633% *  0.3630% (0.91   0.02   0.02) =   0.041%
          QG2   THR   46 - HE3   TRP   27  12.12 +/- 2.73   0.745% *  0.3284% (0.83   0.02   0.02) =   0.017%
          QG2   THR   46 - HN    LEU   67  11.04 +/- 3.47   1.653% *  0.0511% (0.13   0.02   0.02) =   0.006%
          QG1   VAL   43 - HN    LEU   67  11.14 +/- 1.33   1.036% *  0.0612% (0.15   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    LEU   67  11.08 +/- 1.63   1.045% *  0.0579% (0.15   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LEU   67  15.67 +/- 2.70   1.302% *  0.0252% (0.06   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   67  10.64 +/- 1.19   0.788% *  0.0298% (0.08   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LEU   67   9.76 +/- 0.89   1.199% *  0.0170% (0.04   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    LEU   67  13.93 +/- 3.16   0.930% *  0.0209% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.495, support = 5.37, residual support = 19.5:
          QD1   LEU   73 - HE3   TRP   27   2.76 +/- 2.49  49.402% * 40.3349% (0.37   6.51  25.20) =  72.604%  kept
          QD2   LEU   80 - HE3   TRP   27  11.92 +/- 7.59  11.996% * 39.3229% (0.76   3.12   6.29) =  17.188%  kept
          QD1   LEU  104 - HE3   TRP   27  11.54 +/- 4.40  17.443% * 15.5888% (0.94   1.00   0.73) =   9.908%  kept
          QG1   VAL   83 - HE3   TRP   27  11.08 +/- 5.73   1.584% *  4.0743% (0.89   0.28   0.56) =   0.235%  kept
          QD1   LEU   63 - HE3   TRP   27  11.93 +/- 3.32  12.380% *  0.1238% (0.37   0.02   0.02) =   0.056%
          QD1   LEU   63 - HN    LEU   67   5.93 +/- 0.67   3.882% *  0.0193% (0.06   0.02   0.02) =   0.003%
          QD2   LEU  115 - HE3   TRP   27  15.82 +/- 2.10   0.304% *  0.2396% (0.72   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   67  12.79 +/- 3.99   0.983% *  0.0486% (0.15   0.02   0.02) =   0.002%
          QG2   ILE   89 - HE3   TRP   27  13.02 +/- 3.37   0.336% *  0.0917% (0.28   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   67  11.62 +/- 1.63   0.628% *  0.0373% (0.11   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  11.51 +/- 1.05   0.480% *  0.0193% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  16.68 +/- 2.46   0.132% *  0.0460% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  16.86 +/- 2.67   0.137% *  0.0392% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  14.78 +/- 1.55   0.316% *  0.0143% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 1 structures by 0.38 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.659, support = 0.666, residual support = 0.915:
          QG2   VAL   75 - HE3   TRP   27   6.62 +/- 2.90  39.980% * 50.8164% (0.72   0.61   1.14) =  62.191%  kept
          QG2   VAL   42 - HE3   TRP   27   8.61 +/- 2.14  25.186% * 48.7253% (0.56   0.76   0.55) =  37.566%  kept
          QG2   VAL   75 - HN    LEU   67   9.32 +/- 1.32  16.458% *  0.2575% (0.11   0.02   0.02) =   0.130%  kept
          QG2   VAL   42 - HN    LEU   67   8.29 +/- 1.82  18.377% *  0.2008% (0.09   0.02   0.02) =   0.113%  kept
    Distance limit 4.34 A violated in 8 structures by 1.10 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.71, residual support = 35.2:
      O T HB2   HIS   22 - HD2   HIS   22   3.77 +/- 0.36  95.019% * 99.9216% (0.92  10.0 10.00   2.71  35.25) =  99.998%  kept
          HA    LEU   63 - HD2   HIS   22  18.11 +/- 2.48   1.617% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HD2   HIS   22  24.76 +/- 5.38   3.363% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.54 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 = 3.29, residual support = 35.2:
      O T HB3   HIS   22 - HD2   HIS   22   3.16 +/- 0.44  99.543% * 99.8217% (0.45  10.0 10.00   3.30  35.25) =  99.999%  kept
          HD3   ARG+  54 - HD2   HIS   22  24.59 +/- 4.74   0.457% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.43 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 = 0.815, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   9.11 +/- 2.34  47.431% * 29.7119% (0.92   0.02   0.02) =  64.834%  kept
          HB3   ASP-  78 - HD2   HIS   22  14.42 +/- 4.10  15.931% * 19.5221% (0.61   0.02   0.02) =  14.308%  kept
          QB    CYS   50 - HD2   HIS   22  17.65 +/- 3.62   7.841% * 28.8658% (0.90   0.02   0.02) =  10.412%  kept
          HB3   ASN   69 - HD2   HIS   22  20.73 +/- 2.56   7.023% * 16.9340% (0.53   0.02   0.02) =   5.471%  kept
          HB2   PHE   72 - HD2   HIS   22  12.35 +/- 1.50  21.775% *  4.9662% (0.15   0.02   0.02) =   4.975%  kept
    Distance limit 5.11 A violated in 17 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.283, support = 2.14, residual support = 5.67:
        T QB    ALA   20 - HD2   HIS   22   3.79 +/- 0.66  78.829% * 95.6932% (0.28 10.00   2.15   5.72) =  99.158%  kept
          QG2   VAL  107 - HD2   HIS   22  18.55 +/- 4.34  17.625% *  3.6072% (0.87  1.00   0.24   0.02) =   0.836%  kept
          HG13  ILE  103 - HD2   HIS   22  20.78 +/- 4.73   0.707% *  0.3322% (0.97  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HD2   HIS   22  25.70 +/- 5.13   0.514% *  0.2226% (0.65  1.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HD2   HIS   22  16.22 +/- 3.37   1.446% *  0.0681% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  25.86 +/- 5.23   0.878% *  0.0766% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 4.71 A violated in 0 structures by 0.00 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  18.02 +/- 2.30 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.05 A violated in 20 structures by 12.96 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.22, residual support = 8.17:
          HA    CYS   21 - HD2   HIS   22   3.75 +/- 0.19  92.260% * 97.4237% (0.95   3.23   8.18) =  99.965%  kept
          HA    LYS+ 102 - HD2   HIS   22  22.64 +/- 5.10   3.555% *  0.4132% (0.65   0.02   0.02) =   0.016%
          HA    TRP   49 - HD2   HIS   22  21.25 +/- 4.61   0.884% *  0.6387% (1.00   0.02   0.02) =   0.006%
          HA    CYS   50 - HD2   HIS   22  20.55 +/- 4.02   0.852% *  0.6042% (0.95   0.02   0.02) =   0.006%
          HA1   GLY  109 - HD2   HIS   22  26.65 +/- 4.91   0.406% *  0.6164% (0.97   0.02   0.02) =   0.003%
          HA    ALA   47 - HD2   HIS   22  18.29 +/- 4.31   1.342% *  0.1776% (0.28   0.02   0.02) =   0.003%
          HA    VAL  108 - HD2   HIS   22  23.46 +/- 4.52   0.700% *  0.1264% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.966, support = 3.2, residual support = 46.6:
          HA    ASN   28 - HD1   TRP   27   3.93 +/- 0.38  69.120% * 79.1082% (1.00   3.22  47.75) =  95.625%  kept
          HA    THR   26 - HD1   TRP   27   6.96 +/- 0.57  13.219% * 18.4963% (0.28   2.71  22.69) =   4.276%  kept
          HA1   GLY  101 - HD1   TRP   27  16.47 +/- 5.60   9.557% *  0.3758% (0.76   0.02   0.02) =   0.063%
          HA    ALA   34 - HD1   TRP   27  12.91 +/- 0.79   2.016% *  0.4539% (0.92   0.02   0.02) =   0.016%
          HA    LEU  115 - HD1   TRP   27  21.50 +/- 3.34   0.863% *  0.4874% (0.99   0.02   0.02) =   0.007%
          HA    LYS+  81 - HD1   TRP   27  16.59 +/- 6.93   3.182% *  0.0973% (0.20   0.02   0.02) =   0.005%
          HA    ARG+  54 - HD1   TRP   27  23.82 +/- 3.81   0.518% *  0.3378% (0.69   0.02   0.02) =   0.003%
          HA    GLU- 114 - HD1   TRP   27  25.05 +/- 3.66   0.451% *  0.2983% (0.61   0.02   0.02) =   0.002%
          HA    ALA  124 - HD1   TRP   27  28.11 +/- 4.38   0.248% *  0.2784% (0.57   0.02   0.02) =   0.001%
          HA    GLU-  36 - HD1   TRP   27  17.44 +/- 0.79   0.827% *  0.0666% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.06, residual support = 26.1:
          HA    VAL   24 - HD1   TRP   27   2.79 +/- 0.75  98.029% * 99.5163% (1.00   5.06  26.13) =  99.997%  kept
          HA    LYS+  38 - HD1   TRP   27  15.76 +/- 1.54   0.857% *  0.2710% (0.69   0.02   0.02) =   0.002%
          HA    ALA   61 - HD1   TRP   27  16.52 +/- 2.40   0.765% *  0.0781% (0.20   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  20.31 +/- 2.44   0.349% *  0.1346% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 106.9:
      O T HB2   TRP   27 - HD1   TRP   27   2.67 +/- 0.08  98.702% * 99.7544% (0.65  10.0 10.00   3.65 106.93) =  99.998%  kept
          HA    THR   77 - HD1   TRP   27  14.61 +/- 3.85   1.046% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  21.12 +/- 2.76   0.252% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 106.9:
      O T HB3   TRP   27 - HD1   TRP   27   3.75 +/- 0.10  93.692% * 99.6316% (0.73  10.0 10.00   4.08 106.93) =  99.992%  kept
          HB2   PHE   97 - HD1   TRP   27  16.44 +/- 3.73   3.634% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 106 - HD1   TRP   27  16.85 +/- 3.92   1.643% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HD1   TRP   27  18.66 +/- 2.98   1.031% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.54 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 = 0.759, support = 3.13, residual support = 26.1:
        T QG2   VAL   24 - HD1   TRP   27   2.29 +/- 0.50  82.488% * 94.0354% (0.76 10.00   3.13  26.13) =  98.939%  kept
          QG1   VAL   24 - HD1   TRP   27   4.35 +/- 0.64  16.462% *  5.0392% (0.31  1.00   2.65  26.13) =   1.058%  kept
        T QG1   VAL  107 - HD1   TRP   27  17.46 +/- 2.34   0.242% *  0.7960% (0.65 10.00   0.02   0.02) =   0.002%
          HG    LEU   63 - HD1   TRP   27  17.99 +/- 3.65   0.621% *  0.0746% (0.61  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HD1   TRP   27  25.03 +/- 3.70   0.094% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  24.69 +/- 3.99   0.093% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.73, support = 2.75, residual support = 11.4:
          QD1   LEU   73 - HD1   TRP   27   5.16 +/- 2.20  31.190% * 25.8962% (0.49   3.69  25.20) =  35.715%  kept
          QD2   LEU   80 - HD1   TRP   27  11.39 +/- 7.90  23.140% * 34.7597% (0.87   2.78   6.29) =  35.566%  kept
          QG1   VAL   83 - HD1   TRP   27   9.95 +/- 6.88  22.135% * 19.3275% (0.80   1.67   0.56) =  18.917%  kept
          QD1   LEU  104 - HD1   TRP   27  13.98 +/- 4.54  11.234% * 19.5780% (0.99   1.37   0.73) =   9.726%  kept
          QD1   LEU   63 - HD1   TRP   27  15.03 +/- 3.34  10.568% *  0.1404% (0.49   0.02   0.02) =   0.066%
          QD2   LEU  115 - HD1   TRP   27  18.11 +/- 2.55   0.730% *  0.2410% (0.84   0.02   0.02) =   0.008%
          QG2   ILE   89 - HD1   TRP   27  13.67 +/- 3.98   1.003% *  0.0571% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.16 A violated in 1 structures by 0.46 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.772, support = 1.75, residual support = 18.8:
          QD2   LEU   31 - HD1   TRP   27   4.31 +/- 0.90  60.560% * 73.2418% (0.73   2.00  22.59) =  82.939%  kept
          QG2   VAL   83 - HD1   TRP   27  10.30 +/- 6.08  35.142% * 25.8534% (1.00   0.51   0.56) =  16.989%  kept
          QD1   ILE   89 - HD1   TRP   27  12.13 +/- 3.60   4.298% *  0.9047% (0.90   0.02   0.02) =   0.073%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.29, residual support = 106.9:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  96.846% * 99.7536% (0.28  10.0 10.00   1.29 106.93) =  99.992%  kept
          HZ    PHE   72 - HH2   TRP   27  11.08 +/- 2.81   3.154% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.008%
    Distance limit 4.86 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 = 2.07, residual support = 106.9:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.07 106.93) = 100.000%  kept
    Distance limit 5.11 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 = 1.55, residual support = 106.9:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  93.024% * 99.6518% (1.00  10.0   1.55 106.93) =  99.995%  kept
          HN    THR   23 - HZ3   TRP   27   9.30 +/- 1.08   2.089% *  0.0781% (0.61   1.0   0.02   1.22) =   0.002%
          QD    PHE   55 - HZ3   TRP   27  20.06 +/- 3.61   1.116% *  0.1262% (0.98   1.0   0.02   0.02) =   0.002%
          QE    PHE   95 - HZ3   TRP   27  12.27 +/- 2.10   1.378% *  0.0833% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  13.06 +/- 2.28   1.577% *  0.0321% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HZ3   TRP   27  17.70 +/- 6.68   0.815% *  0.0287% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 0.869, support = 1.23, residual support = 6.62:
        T QG1   VAL   43 - HH2   TRP   27   5.88 +/- 3.59  23.837% * 77.4259% (0.92 10.00   1.09   3.40) =  80.659%  kept
          HG    LEU   31 - HH2   TRP   27   4.31 +/- 1.32  23.947% *  9.1366% (0.65  1.00   1.84  22.59) =   9.562%  kept
          QD2   LEU   73 - HH2   TRP   27   4.77 +/- 2.12  18.888% *  8.2167% (0.49  1.00   2.20  25.20) =   6.783%  kept
          QG1   VAL   41 - HH2   TRP   27   5.81 +/- 2.06  13.797% *  4.9087% (1.00  1.00   0.64   0.36) =   2.960%  kept
          QD1   ILE   19 - HH2   TRP   27   9.28 +/- 2.02   7.543% *  0.0426% (0.28  1.00   0.02   0.02) =   0.014%
          QD2   LEU  104 - HH2   TRP   27  10.35 +/- 3.37   8.983% *  0.0269% (0.18  1.00   0.02   0.73) =   0.011%
          QG2   VAL   18 - HH2   TRP   27  10.32 +/- 1.70   1.452% *  0.1113% (0.73  1.00   0.02   0.02) =   0.007%
          QG2   THR   46 - HH2   TRP   27  12.36 +/- 2.78   1.138% *  0.0930% (0.61  1.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HH2   TRP   27  15.88 +/- 3.02   0.415% *  0.0382% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.46 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 = 0.839, support = 1.78, residual support = 8.12:
        T QG1   VAL   43 - HZ3   TRP   27   6.19 +/- 3.40  14.333% * 82.7577% (0.92 10.00   1.69   3.40) =  73.045%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.27 +/- 2.34  35.702% *  6.1685% (0.49  1.00   2.40  25.20) =  13.562%  kept
          HG    LEU   31 - HZ3   TRP   27   4.13 +/- 1.41  23.527% *  6.7351% (0.65  1.00   1.97  22.59) =   9.758%  kept
          QG1   VAL   41 - HZ3   TRP   27   5.64 +/- 2.32  15.055% *  3.7989% (1.00  1.00   0.72   0.36) =   3.522%  kept
          QD2   LEU  104 - HZ3   TRP   27  10.84 +/- 3.45   4.517% *  0.3431% (0.18  1.00   0.37   0.73) =   0.095%
          QD1   ILE   19 - HZ3   TRP   27   7.60 +/- 1.64   4.676% *  0.0294% (0.28  1.00   0.02   0.02) =   0.008%
          QG2   VAL   18 - HZ3   TRP   27   8.87 +/- 1.42   1.250% *  0.0768% (0.73  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HZ3   TRP   27  11.88 +/- 2.79   0.687% *  0.0642% (0.61  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HZ3   TRP   27  15.72 +/- 2.52   0.253% *  0.0264% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.853, support = 3.47, residual support = 23.3:
        T QD1   LEU   73 - HZ3   TRP   27   4.06 +/- 2.30  29.598% * 82.4546% (0.90 10.00   3.70  25.20) =  91.563%  kept
        T QD1   LEU  104 - HZ3   TRP   27  10.13 +/- 4.06  13.423% * 11.0199% (0.31 10.00   0.78   0.73) =   5.550%  kept
          QD2   LEU   80 - HZ3   TRP   27  12.79 +/- 7.36  12.082% *  4.3987% (0.53  1.00   1.82   6.29) =   1.994%  kept
          QG2   VAL   41 - HZ3   TRP   27   5.27 +/- 2.61  20.096% *  0.5742% (0.28  1.00   0.45   0.36) =   0.433%  kept
        T QD1   LEU   63 - HZ3   TRP   27  10.93 +/- 3.37   9.303% *  0.8245% (0.90 10.00   0.02   0.02) =   0.288%  kept
          QD1   LEU   80 - HZ3   TRP   27  13.28 +/- 7.61   7.334% *  0.5850% (0.15  1.00   0.82   6.29) =   0.161%  kept
          QD2   LEU   63 - HZ3   TRP   27  10.73 +/- 2.88   2.858% *  0.0768% (0.84  1.00   0.02   0.02) =   0.008%
          QD2   LEU   98 - HZ3   TRP   27   7.59 +/- 3.09   4.775% *  0.0142% (0.15  1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HZ3   TRP   27  14.80 +/- 1.80   0.532% *  0.0521% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.24, residual support = 22.5:
        T QD2   LEU   31 - HZ3   TRP   27   3.20 +/- 0.85  74.533% * 99.0469% (0.76 10.00   3.25  22.59) =  99.762%  kept
          QG2   VAL   83 - HZ3   TRP   27  10.93 +/- 5.39  20.285% *  0.8407% (1.00  1.00   0.13   0.56) =   0.230%  kept
          QD1   ILE   89 - HZ3   TRP   27  10.67 +/- 3.10   5.182% *  0.1124% (0.87  1.00   0.02   0.02) =   0.008%
    Distance limit 4.51 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 = 0.768, support = 3.44, residual support = 22.2:
          QD2   LEU   31 - HH2   TRP   27   3.50 +/- 0.72  66.346% * 94.7870% (0.76   3.50  22.59) =  98.101%  kept
          QG2   VAL   83 - HH2   TRP   27  10.67 +/- 6.04  25.373% *  4.5982% (1.00   0.13   0.56) =   1.820%  kept
          QD1   ILE   89 - HH2   TRP   27  10.16 +/- 3.89   8.281% *  0.6149% (0.87   0.02   0.02) =   0.079%
    Distance limit 4.49 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 = 0.909, support = 2.99, residual support = 19.9:
          QD1   LEU   73 - HH2   TRP   27   5.41 +/- 2.02  20.719% * 65.8490% (1.00   3.57  25.20) =  74.607%  kept
          QD2   LEU   80 - HH2   TRP   27  13.12 +/- 7.47  12.688% * 22.6260% (0.76   1.60   6.29) =  15.699%  kept
          QD1   LEU  104 - HH2   TRP   27   9.76 +/- 4.08  15.794% *  8.9169% (0.53   0.92   0.73) =   7.701%  kept
          QG2   VAL   41 - HH2   TRP   27   5.56 +/- 2.30  20.359% *  0.9341% (0.14   0.37   0.36) =   1.040%  kept
          QG1   VAL   83 - HH2   TRP   27  11.05 +/- 6.48  16.775% *  0.7852% (0.15   0.28   0.56) =   0.720%  kept
          QD1   LEU   63 - HH2   TRP   27  11.45 +/- 3.52   7.779% *  0.3688% (1.00   0.02   0.02) =   0.157%  kept
          QD2   LEU   63 - HH2   TRP   27  11.31 +/- 3.20   5.249% *  0.2242% (0.61   0.02   0.02) =   0.064%
          QD2   LEU  115 - HH2   TRP   27  14.85 +/- 1.80   0.637% *  0.2959% (0.80   0.02   0.02) =   0.010%
    Distance limit 5.10 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 = 1.29, residual support = 106.9:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.29 106.93) = 100.000%  kept
    Distance limit 3.86 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 = 0.895, support = 2.1, residual support = 37.3:
          HD21  ASN   28 - HZ2   TRP   27   5.47 +/- 1.05  46.047% * 74.4986% (0.87   2.55  47.75) =  75.264%  kept
          HZ2   TRP   87 - HZ2   TRP   27  10.12 +/- 7.56  45.459% * 24.7529% (0.98   0.75   5.61) =  24.688%  kept
          QE    PHE   60 - HZ2   TRP   27  13.60 +/- 3.52   3.067% *  0.4626% (0.69   0.02   0.02) =   0.031%
          HN    LEU   63 - HZ2   TRP   27  16.18 +/- 2.77   3.363% *  0.1679% (0.25   0.02   0.02) =   0.012%
          HN    ILE   56 - HZ2   TRP   27  21.42 +/- 3.87   2.065% *  0.1179% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.8, residual support = 106.9:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.80 106.93) = 100.000%  kept
    Distance limit 4.85 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 = 5.61:
          HE1   TRP   87 - HZ2   TRP   27  10.94 +/- 8.11 100.000% *100.0000% (0.92   2.00   5.61) = 100.000%  kept
    Distance limit 4.77 A violated in 10 structures by 6.94 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.632, support = 3.05, residual support = 15.8:
        T QD2   LEU   31 - HZ2   TRP   27   3.48 +/- 0.61  60.700% * 54.1089% (0.49 10.00   4.21  22.59) =  64.553%  kept
        T QG2   VAL   43 - HZ2   TRP   27   6.40 +/- 3.65  39.300% * 45.8911% (0.90 10.00   0.92   3.40) =  35.447%  kept
    Distance limit 4.29 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 = 0.9, support = 3.21, residual support = 14.6:
        T QD1   ILE   89 - QD    PHE   45   2.81 +/- 0.82  76.884% * 88.5454% (0.90 10.00   3.23  15.03) =  96.836%  kept
          QG2   VAL   83 - QD    PHE   45   5.69 +/- 1.39  19.521% * 11.3829% (1.00  1.00   2.31   1.31) =   3.161%  kept
          QD2   LEU   31 - QD    PHE   45  10.99 +/- 2.31   3.595% *  0.0717% (0.73  1.00   0.02   0.02) =   0.004%
    Distance limit 4.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 2.95, residual support = 12.0:
          QD1   ILE   89 - QE    PHE   45   2.77 +/- 1.21  66.499% * 60.7843% (0.97   3.22  15.03) =  77.782%  kept
          QG2   VAL   83 - QE    PHE   45   4.73 +/- 1.84  29.599% * 38.9782% (0.98   2.03   1.31) =  22.201%  kept
          QD2   LEU   31 - QE    PHE   45  10.26 +/- 2.92   3.902% *  0.2375% (0.61   0.02   0.02) =   0.018%
    Distance limit 4.06 A violated in 1 structures by 0.12 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 17.9:
        T QG1   VAL   75 - QD    PHE   45   2.75 +/- 1.90  78.831% * 99.9034% (1.00 10.00   3.13  17.91) =  99.974%  kept
          QD1   LEU  115 - QD    PHE   45   7.83 +/- 1.56  21.169% *  0.0966% (0.97  1.00   0.02   0.02) =   0.026%
    Distance limit 4.36 A violated in 1 structures by 0.32 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 2.13, residual support = 17.9:
        T HB    VAL   75 - QD    PHE   45   4.68 +/- 2.28  54.612% * 98.5422% (0.99 10.00   2.14  17.91) =  99.788%  kept
          HG3   LYS+  74 - QD    PHE   45   9.85 +/- 2.19   7.763% *  1.2374% (0.38  1.00   0.66   0.02) =   0.178%  kept
          QD2   LEU   40 - QD    PHE   45  10.51 +/- 1.14   9.549% *  0.0643% (0.65  1.00   0.02   0.02) =   0.011%
          QG2   ILE  103 - QD    PHE   45   9.36 +/- 1.63   9.765% *  0.0484% (0.49  1.00   0.02   0.02) =   0.009%
          QD1   LEU   67 - QD    PHE   45   9.44 +/- 1.18   7.358% *  0.0603% (0.61  1.00   0.02   0.02) =   0.008%
          QD1   ILE  119 - QD    PHE   45  10.23 +/- 1.29   7.166% *  0.0339% (0.34  1.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - QD    PHE   45  12.96 +/- 1.19   3.788% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 2 structures by 0.59 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.614, support = 3.24, residual support = 10.6:
        T QG2   THR   77 - QD    PHE   45   3.40 +/- 2.39  55.117% * 71.5266% (0.65 10.00   3.17  10.19) =  89.058%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.73 +/- 0.46  17.706% * 21.8811% (0.20 10.00   4.44  17.78) =   8.752%  kept
          QB    ALA   88 - QD    PHE   45   7.24 +/- 1.60  15.564% *  6.1942% (0.97  1.00   1.16   0.60) =   2.178%  kept
          HB3   LEU   80 - QD    PHE   45   8.23 +/- 2.45   6.543% *  0.0415% (0.38  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - QD    PHE   45  14.17 +/- 2.16   1.320% *  0.0671% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    PHE   45   9.97 +/- 1.97   2.618% *  0.0307% (0.28  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    PHE   45  16.36 +/- 1.11   0.399% *  0.0959% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   45  15.29 +/- 2.62   0.532% *  0.0582% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  19.95 +/- 1.48   0.201% *  0.1046% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.72, support = 1.16, residual support = 25.6:
          QG2   THR   94 - QD    PHE   45   3.77 +/- 0.98  53.670% * 75.3161% (0.80   1.22  27.70) =  83.761%  kept
          HG12  ILE   89 - QD    PHE   45   4.47 +/- 1.17  38.960% * 19.8729% (0.31   0.84  15.03) =  16.043%  kept
          HD2   LYS+ 112 - QD    PHE   45  12.56 +/- 3.30   2.994% *  1.5367% (1.00   0.02   0.02) =   0.095%
          HB3   LYS+ 112 - QD    PHE   45  12.71 +/- 2.22   1.868% *  1.1744% (0.76   0.02   0.02) =   0.045%
          HB3   LEU   71 - QD    PHE   45  14.40 +/- 2.09   1.285% *  1.5231% (0.99   0.02   0.02) =   0.041%
          HG3   LYS+ 111 - QD    PHE   45  14.17 +/- 1.94   1.223% *  0.5767% (0.38   0.02   0.02) =   0.015%
    Distance limit 4.68 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 = 2.52, residual support = 17.9:
        T QG1   VAL   75 - QE    PHE   45   3.41 +/- 1.49  75.663% * 99.9191% (0.90 10.00   2.52  17.91) =  99.974%  kept
          QD1   LEU  115 - QE    PHE   45   8.75 +/- 2.28  24.337% *  0.0809% (0.73  1.00   0.02   0.02) =   0.026%
    Distance limit 4.72 A violated in 1 structures by 0.23 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.599, support = 0.73, residual support = 14.6:
          HB    ILE   89 - QE    PHE   45   4.35 +/- 1.22  34.054% * 94.4406% (0.61   0.75  15.03) =  97.320%  kept
          HB    VAL   43 - QE    PHE   45   4.01 +/- 2.55  47.356% *  1.5584% (0.38   0.02   0.02) =   2.233%  kept
          QG1   ILE   56 - QE    PHE   45  10.50 +/- 2.92  13.399% *  0.6407% (0.15   0.02   0.02) =   0.260%  kept
          QD    LYS+  81 - QE    PHE   45  10.15 +/- 2.46   3.178% *  1.2816% (0.31   0.02   0.02) =   0.123%  kept
          HB2   LYS+  99 - QE    PHE   45  13.60 +/- 2.21   1.079% *  1.1545% (0.28   0.02   0.02) =   0.038%
          HB3   LYS+  99 - QE    PHE   45  14.00 +/- 2.08   0.933% *  0.9244% (0.22   0.02   0.02) =   0.026%
    Distance limit 4.80 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 = 0.452, support = 1.96, residual support = 7.53:
          HB3   MET   96 - QE    PHE   45   4.77 +/- 2.51  60.552% * 93.5496% (0.45   1.98   7.60) =  98.979%  kept
          HB3   ARG+  54 - QE    PHE   45  15.29 +/- 3.43  14.478% *  1.9495% (0.92   0.02   0.02) =   0.493%  kept
          HB    VAL   18 - QE    PHE   45  12.71 +/- 3.64  10.974% *  1.4507% (0.69   0.02   0.02) =   0.278%  kept
          HB2   LEU   40 - QE    PHE   45  14.07 +/- 1.69   3.837% *  1.7640% (0.84   0.02   0.02) =   0.118%  kept
          HB2   LEU   67 - QE    PHE   45  12.68 +/- 1.43   7.302% *  0.8682% (0.41   0.02   0.02) =   0.111%  kept
          HB3   GLU-  14 - QE    PHE   45  20.10 +/- 2.75   2.856% *  0.4179% (0.20   0.02   0.02) =   0.021%
    Distance limit 4.86 A violated in 3 structures by 0.63 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.263, support = 1.72, residual support = 7.02:
        T HB2   MET   96 - QE    PHE   45   4.67 +/- 2.31  45.624% * 77.5644% (0.22 10.00   1.78   7.60) =  90.986%  kept
          HB3   ASP-  76 - QE    PHE   45   7.89 +/- 2.30  17.418% * 18.2175% (0.73  1.00   1.28   1.21) =   8.158%  kept
          QG    GLN   90 - QE    PHE   45   7.65 +/- 1.31  12.808% *  1.9273% (0.22  1.00   0.44   0.02) =   0.635%  kept
        T HB3   PHE   72 - QE    PHE   45  10.19 +/- 1.54   4.068% *  0.6864% (0.18 10.00   0.02   0.02) =   0.072%
          HG3   MET   92 - QE    PHE   45  10.26 +/- 1.40   5.383% *  0.3783% (0.97  1.00   0.02   0.02) =   0.052%
          HB2   ASP- 105 - QE    PHE   45  10.81 +/- 2.14   4.527% *  0.3618% (0.92  1.00   0.02   0.02) =   0.042%
          HG12  ILE  119 - QE    PHE   45  12.36 +/- 1.94   7.589% *  0.2062% (0.53  1.00   0.02   0.02) =   0.040%
          HB2   GLU-  29 - QE    PHE   45  16.83 +/- 2.97   0.946% *  0.3515% (0.90  1.00   0.02   0.02) =   0.009%
          HG2   GLU- 100 - QE    PHE   45  17.01 +/- 2.14   0.736% *  0.2536% (0.65  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   45  18.63 +/- 2.97   0.901% *  0.0530% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.12 A violated in 1 structures by 0.11 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 79.9:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  97.011% * 99.8696% (0.53  10.0 10.00   1.00  79.95) =  99.996%  kept
          HZ3   TRP   27 - QE    PHE   45   9.77 +/- 3.58   2.989% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.87 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 = 3.6, residual support = 80.0:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  98.834% * 99.6976% (0.65  10.0   3.60  79.95) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  13.76 +/- 2.48   0.579% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  16.22 +/- 2.57   0.362% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.55 +/- 3.58   0.225% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.798, support = 1.96, residual support = 7.57:
          HB3   MET   96 - QD    PHE   45   5.43 +/- 1.76  58.811% * 96.4496% (0.80   1.97   7.60) =  99.594%  kept
          HB3   ARG+  54 - QD    PHE   45  13.90 +/- 2.61  11.809% *  0.7433% (0.61   0.02   0.02) =   0.154%  kept
          HB2   LEU   40 - QD    PHE   45  14.41 +/- 1.06   4.534% *  1.2254% (1.00   0.02   0.02) =   0.098%
          HB    VAL   18 - QD    PHE   45  12.54 +/- 3.79  12.271% *  0.4180% (0.34   0.02   0.02) =   0.090%
          HB2   LEU   67 - QD    PHE   45  12.29 +/- 1.59   8.959% *  0.1891% (0.15   0.02   0.02) =   0.030%
          HB3   GLU-  14 - QD    PHE   45  20.30 +/- 2.65   2.616% *  0.5965% (0.49   0.02   0.02) =   0.027%
          HG3   MET   11 - QD    PHE   45  26.69 +/- 3.84   0.999% *  0.3782% (0.31   0.02   0.02) =   0.007%
    Distance limit 5.06 A violated in 5 structures by 0.82 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.877, support = 1.95, residual support = 5.19:
          HB2   MET   96 - QD    PHE   45   5.52 +/- 1.46  44.294% * 46.2008% (0.87   2.00   7.60) =  62.545%  kept
          HB3   ASP-  76 - QD    PHE   45   7.64 +/- 2.39  24.297% * 47.8716% (0.92   1.95   1.21) =  35.549%  kept
          HG3   MET   92 - QD    PHE   45   8.76 +/- 1.19  13.322% *  4.3072% (0.34   0.47   0.02) =   1.754%  kept
          HB2   ASP- 105 - QD    PHE   45  11.09 +/- 1.44   5.540% *  0.3868% (0.73   0.02   0.02) =   0.065%
          HB    VAL   70 - QD    PHE   45  12.00 +/- 1.17   4.562% *  0.2388% (0.45   0.02   0.02) =   0.033%
          QG    GLN   17 - QD    PHE   45  14.77 +/- 3.17   3.416% *  0.1999% (0.38   0.02   0.02) =   0.021%
          HG2   GLU- 100 - QD    PHE   45  17.99 +/- 1.35   1.190% *  0.5140% (0.97   0.02   0.02) =   0.019%
          HB2   GLU-  25 - QD    PHE   45  17.57 +/- 3.00   1.830% *  0.1481% (0.28   0.02   0.02) =   0.008%
          HB2   GLU-  29 - QD    PHE   45  17.59 +/- 2.31   1.551% *  0.1328% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.32 A violated in 0 structures by 0.12 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.03, residual support = 79.9:
      O T HB3   PHE   45 - QD    PHE   45   2.40 +/- 0.18  89.795% * 99.5701% (0.80  10.0 10.00   5.03  79.95) =  99.991%  kept
          QE    LYS+ 112 - QD    PHE   45  10.50 +/- 3.06   2.836% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - QD    PHE   45   9.28 +/- 1.07   1.860% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - QD    PHE   45   7.98 +/- 0.80   3.047% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - QD    PHE   45  11.11 +/- 2.66   2.235% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  18.65 +/- 2.46   0.227% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.32, residual support = 80.0:
      O T HB2   PHE   45 - QD    PHE   45   2.59 +/- 0.17  96.845% * 99.8423% (0.97  10.0 10.00   4.32  79.95) =  99.998%  kept
          HB2   CYS   21 - QD    PHE   45  11.73 +/- 3.60   2.207% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 111 - QD    PHE   45  13.28 +/- 1.69   0.949% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.24 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 = 0.685, support = 3.56, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   3.38 +/- 0.72  62.491% * 84.4412% (0.69   3.63  27.70) =  98.044%  kept
          QB    SER   85 - QD    PHE   45   9.11 +/- 1.40   7.471% *  7.5928% (0.95   0.24   0.02) =   1.054%  kept
          HA    ALA   88 - QD    PHE   45   8.50 +/- 1.33   9.182% *  4.2362% (0.15   0.81   0.60) =   0.723%  kept
          HA    LYS+  65 - QD    PHE   45  11.34 +/- 3.48   7.836% *  0.6078% (0.90   0.02   0.02) =   0.088%
          QB    SER   48 - QD    PHE   45   9.37 +/- 0.84   3.820% *  0.5427% (0.80   0.02   0.02) =   0.039%
          HD2   PRO   52 - QD    PHE   45  11.20 +/- 1.98   3.381% *  0.2092% (0.31   0.02   0.02) =   0.013%
          HA2   GLY   51 - QD    PHE   45  13.64 +/- 1.69   1.742% *  0.3566% (0.53   0.02   0.02) =   0.012%
          HA    ALA  120 - QD    PHE   45  16.43 +/- 1.58   0.755% *  0.6541% (0.97   0.02   0.02) =   0.009%
          HA2   GLY   16 - QD    PHE   45  19.03 +/- 2.85   0.511% *  0.6411% (0.95   0.02   0.02) =   0.006%
          QB    SER  117 - QD    PHE   45  12.50 +/- 1.22   1.657% *  0.1884% (0.28   0.02   0.02) =   0.006%
          HA    LYS+ 121 - QD    PHE   45  16.43 +/- 1.87   0.724% *  0.4111% (0.61   0.02   0.02) =   0.006%
          HA    GLN   32 - QD    PHE   45  18.44 +/- 2.27   0.430% *  0.1187% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.336, support = 4.12, residual support = 17.0:
          HA    ASP-  44 - QD    PHE   45   3.15 +/- 0.69  53.804% * 73.6122% (0.34   4.40  17.78) =  92.224%  kept
          HB    THR   77 - QD    PHE   45   5.28 +/- 2.27  20.617% * 12.0759% (0.28   0.89  10.19) =   5.797%  kept
          HA    SER   85 - QD    PHE   45   8.67 +/- 1.61   7.748% *  9.3809% (0.28   0.69   0.02) =   1.692%  kept
          HA    TRP   87 - QD    PHE   45   7.80 +/- 1.66  11.124% *  0.6654% (0.15   0.09   0.02) =   0.172%  kept
          HA    ASP-  86 - QD    PHE   45  10.12 +/- 1.44   3.561% *  0.9608% (0.98   0.02   0.02) =   0.080%
          HA    LEU  104 - QD    PHE   45  14.16 +/- 1.40   0.865% *  0.8188% (0.84   0.02   0.02) =   0.016%
          HA    ILE  103 - QD    PHE   45  11.92 +/- 1.75   1.712% *  0.1940% (0.20   0.02   0.02) =   0.008%
          HA    GLU-  14 - QD    PHE   45  20.95 +/- 2.43   0.243% *  0.9781% (1.00   0.02   0.02) =   0.006%
          HA    ALA   12 - QD    PHE   45  24.39 +/- 2.87   0.169% *  0.9460% (0.97   0.02   0.02) =   0.004%
          HA    MET   11 - QD    PHE   45  25.80 +/- 3.74   0.157% *  0.3679% (0.38   0.02   0.02) =   0.001%
    Distance limit 5.18 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 = 4.92, residual support = 77.9:
          HA    PHE   45 - QD    PHE   45   3.12 +/- 0.36  82.951% * 85.0995% (0.25   5.03  79.95) =  97.487%  kept
          HA    MET   92 - QD    PHE   45   7.02 +/- 1.61  14.356% * 12.4576% (0.25   0.74   0.02) =   2.470%  kept
          HA    VAL   41 - QD    PHE   45  11.03 +/- 0.86   2.022% *  1.0863% (0.80   0.02   0.02) =   0.030%
          HA    HIS  122 - QD    PHE   45  16.43 +/- 1.98   0.671% *  1.3566% (1.00   0.02   0.02) =   0.013%
    Distance limit 5.07 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 = 5.47, residual support = 72.6:
          HN    PHE   45 - QD    PHE   45   2.09 +/- 0.50  84.234% * 56.1508% (0.45   5.62  79.95) =  88.187%  kept
          HN    ASP-  44 - QD    PHE   45   4.48 +/- 0.74  14.616% * 43.3258% (0.45   4.33  17.78) =  11.807%  kept
          HN    ALA  110 - QD    PHE   45  12.36 +/- 2.23   0.720% *  0.3063% (0.69   0.02   0.02) =   0.004%
          HN    GLU-  25 - QD    PHE   45  15.48 +/- 3.05   0.430% *  0.2171% (0.49   0.02   0.02) =   0.002%
    Distance limit 5.04 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 = 80.0:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.360% * 99.7606% (0.98  10.0   1.00  79.95) =  99.997%  kept
          QD    PHE   72 - HZ    PHE   45   9.66 +/- 1.59   1.475% *  0.1766% (0.87   1.0   0.02   0.02) =   0.003%
          HD22  ASN   69 - HZ    PHE   45  19.21 +/- 2.12   0.165% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.591, support = 4.47, residual support = 56.9:
          HN    TRP   49 - HD1   TRP   49   2.32 +/- 0.52  77.557% * 33.6901% (0.38   4.90  85.99) =  64.302%  kept
          HN    CYS   50 - HD1   TRP   49   4.24 +/- 0.98  21.947% * 66.0878% (0.98   3.68   4.62) =  35.695%  kept
          HN    VAL   83 - HD1   TRP   49  15.27 +/- 3.40   0.495% *  0.2221% (0.61   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.31, residual support = 86.0:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.31  85.99) = 100.000%  kept
    Distance limit 3.81 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 = 86.0:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  98.715% * 99.8040% (0.41  10.0   1.00  85.99) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  16.33 +/- 3.45   1.126% *  0.0749% (0.15   1.0   0.02   0.02) =   0.001%
          HE21  GLN   30 - HZ2   TRP   49  23.72 +/- 3.04   0.159% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 86.0:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.99) = 100.000%  kept
    Distance limit 4.74 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 = 86.0:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.393% * 99.8708% (1.00  10.0   1.00  85.99) =  99.999%  kept
          HN    LYS+ 121 - HH2   TRP   49  20.60 +/- 3.95   0.607% *  0.1292% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.879, support = 1.49, residual support = 11.1:
          QD1   ILE   89 - HZ    PHE   45   3.73 +/- 1.46  58.390% * 60.3175% (0.84   1.71  15.03) =  71.527%  kept
          QG2   VAL   83 - HZ    PHE   45   5.35 +/- 2.37  35.843% * 39.0070% (0.99   0.93   1.31) =  28.394%  kept
          QD2   LEU   31 - HZ    PHE   45  11.40 +/- 3.72   5.767% *  0.6756% (0.80   0.02   0.02) =   0.079%
    Distance limit 4.92 A violated in 1 structures by 0.14 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.75, residual support = 86.0:
      O T HB2   TRP   49 - HD1   TRP   49   3.89 +/- 0.06  89.447% * 99.5547% (0.65  10.0 10.00   4.75  85.99) =  99.992%  kept
          HA    ALA   84 - HD1   TRP   49  13.51 +/- 2.73   3.651% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HD1   TRP   49  14.38 +/- 2.16   2.138% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.74 +/- 2.17   1.801% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  20.54 +/- 2.42   0.745% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD1   TRP   49  17.28 +/- 3.36   1.601% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  21.70 +/- 2.73   0.618% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.75 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 = 4.7, residual support = 86.0:
      O T HB3   TRP   49 - HD1   TRP   49   2.92 +/- 0.17  99.153% * 99.9191% (0.90  10.0 10.00   4.70  85.99) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  15.71 +/- 1.78   0.847% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.76, residual support = 16.0:
          QB    ALA   47 - HD1   TRP   49   3.05 +/- 0.78  88.809% * 99.0222% (0.84   3.76  16.04) =  99.957%  kept
          QG1   VAL   42 - HD1   TRP   49  15.10 +/- 2.04   4.222% *  0.4581% (0.73   0.02   0.02) =   0.022%
          QB    ALA   64 - HD1   TRP   49  14.81 +/- 2.46   3.682% *  0.2829% (0.45   0.02   0.02) =   0.012%
          HG2   LYS+ 112 - HD1   TRP   49  15.86 +/- 4.16   3.287% *  0.2368% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.86, support = 0.691, residual support = 2.86:
          HB3   PRO   52 - HZ2   TRP   49   7.19 +/- 3.45  36.272% * 69.1350% (0.87  1.00   0.75   3.11) =  91.990%  kept
        T HG    LEU  123 - HZ2   TRP   49  22.82 +/- 5.05   8.785% * 18.4360% (0.87 10.00   0.02   0.02) =   5.941%  kept
          HB    ILE  103 - HZ2   TRP   49  21.95 +/- 5.25   9.295% *  1.5433% (0.73  1.00   0.02   0.02) =   0.526%  kept
          HB3   GLN   90 - HZ2   TRP   49  12.24 +/- 4.11  10.195% *  0.9529% (0.45  1.00   0.02   0.02) =   0.356%  kept
          QB    LYS+  66 - HZ2   TRP   49  17.54 +/- 5.64  13.834% *  0.5909% (0.28  1.00   0.02   0.02) =   0.300%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.32 +/- 1.65   5.599% *  1.4599% (0.69  1.00   0.02   0.02) =   0.300%  kept
          QB    LYS+  81 - HZ2   TRP   49  12.99 +/- 3.21   5.545% *  0.7977% (0.38  1.00   0.02   0.02) =   0.162%  kept
          HG12  ILE  103 - HZ2   TRP   49  20.76 +/- 4.69   2.625% *  1.2891% (0.61  1.00   0.02   0.02) =   0.124%  kept
          QB    LYS+ 106 - HZ2   TRP   49  15.28 +/- 3.42   3.973% *  0.7250% (0.34  1.00   0.02   0.02) =   0.106%  kept
          HG3   PRO   68 - HZ2   TRP   49  24.12 +/- 6.69   1.563% *  1.6243% (0.76  1.00   0.02   0.02) =   0.093%
          HB3   ASP- 105 - HZ2   TRP   49  20.30 +/- 4.18   1.184% *  1.3749% (0.65  1.00   0.02   0.02) =   0.060%
          HB    VAL   41 - HZ2   TRP   49  22.14 +/- 2.90   0.720% *  0.9529% (0.45  1.00   0.02   0.02) =   0.025%
          QB    LYS+  33 - HZ2   TRP   49  26.19 +/- 2.48   0.411% *  1.1182% (0.53  1.00   0.02   0.02) =   0.017%
    Distance limit 4.72 A violated in 1 structures by 0.67 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.02, residual support = 16.0:
          QB    ALA   47 - HZ2   TRP   49   3.98 +/- 1.24  64.288% * 98.0020% (0.69   2.03  16.04) =  99.643%  kept
          QB    ALA   64 - HZ2   TRP   49  14.58 +/- 3.14  10.867% *  0.8522% (0.61   0.02   0.02) =   0.146%  kept
          QG1   VAL   42 - HZ2   TRP   49  14.24 +/- 2.59  10.380% *  0.7955% (0.57   0.02   0.02) =   0.131%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.26 +/- 3.78  14.465% *  0.3503% (0.25   0.02   0.02) =   0.080%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.364, support = 0.707, residual support = 2.93:
          HG2   PRO   52 - HH2   TRP   49   5.42 +/- 3.41  42.983% * 73.0242% (0.34   0.75   3.11) =  94.172%  kept
          HG2   MET   92 - HH2   TRP   49   9.06 +/- 4.89  19.315% *  4.9520% (0.87   0.02   0.02) =   2.870%  kept
          HB2   GLU-  79 - HH2   TRP   49  15.85 +/- 3.98  10.563% *  4.1454% (0.73   0.02   0.02) =   1.314%  kept
          QG    GLU- 114 - HH2   TRP   49  13.97 +/- 2.74   5.029% *  4.5712% (0.80   0.02   0.02) =   0.690%  kept
          HB2   ASP-  44 - HH2   TRP   49  14.85 +/- 2.39  13.338% *  0.9998% (0.18   0.02   0.02) =   0.400%  kept
          QB    MET   11 - HH2   TRP   49  32.88 +/- 6.88   2.305% *  3.9214% (0.69   0.02   0.02) =   0.271%  kept
          HG3   GLU-  36 - HH2   TRP   49  34.11 +/- 3.55   0.594% *  4.9520% (0.87   0.02   0.02) =   0.088%
          QG    GLU-  15 - HH2   TRP   49  27.37 +/- 4.40   1.954% *  1.4235% (0.25   0.02   0.02) =   0.083%
          QG    GLU-  14 - HH2   TRP   49  27.89 +/- 4.70   2.866% *  0.8808% (0.15   0.02   0.02) =   0.076%
          HG3   GLU-  25 - HH2   TRP   49  28.95 +/- 3.23   1.053% *  1.1298% (0.20   0.02   0.02) =   0.036%
    Distance limit 5.03 A violated in 3 structures by 0.64 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.864, support = 1.92, residual support = 2.96:
          HB3   PRO   52 - HH2   TRP   49   5.90 +/- 3.89  44.973% * 80.7199% (0.87   2.00   3.11) =  95.373%  kept
          HG    LEU  123 - HH2   TRP   49  22.37 +/- 5.67  11.253% * 13.8381% (0.87   0.34   0.02) =   4.091%  kept
          HB    ILE  103 - HH2   TRP   49  22.97 +/- 5.48  10.815% *  0.6757% (0.73   0.02   0.02) =   0.192%  kept
          QB    LYS+  66 - HH2   TRP   49  17.69 +/- 5.96  15.630% *  0.2587% (0.28   0.02   0.02) =   0.106%  kept
          HG2   ARG+  54 - HH2   TRP   49  10.00 +/- 1.92   3.997% *  0.6392% (0.69   0.02   0.02) =   0.067%
          HG3   PRO   68 - HH2   TRP   49  24.42 +/- 7.12   3.512% *  0.7112% (0.76   0.02   0.02) =   0.066%
          HB3   GLN   90 - HH2   TRP   49  13.94 +/- 4.09   2.412% *  0.4172% (0.45   0.02   0.02) =   0.026%
          QB    LYS+ 106 - HH2   TRP   49  16.04 +/- 3.77   3.154% *  0.3174% (0.34   0.02   0.02) =   0.026%
          HG12  ILE  103 - HH2   TRP   49  21.91 +/- 4.75   1.446% *  0.5644% (0.61   0.02   0.02) =   0.021%
          QB    LYS+  81 - HH2   TRP   49  14.60 +/- 3.34   1.771% *  0.3493% (0.38   0.02   0.02) =   0.016%
          HB3   ASP- 105 - HH2   TRP   49  20.76 +/- 4.72   0.590% *  0.6020% (0.65   0.02   0.02) =   0.009%
          HB    VAL   41 - HH2   TRP   49  23.23 +/- 3.14   0.280% *  0.4172% (0.45   0.02   0.02) =   0.003%
          QB    LYS+  33 - HH2   TRP   49  27.11 +/- 2.72   0.167% *  0.4896% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.256, support = 2.39, residual support = 21.0:
      O   QB    PHE   55 - QD    PHE   55   2.17 +/- 0.05  89.467% * 72.3326% (0.25  10.0   2.38  21.29) =  98.145%  kept
          HD2   ARG+  54 - QD    PHE   55   6.98 +/- 0.97   4.534% * 25.3242% (0.61   1.0   2.88   4.16) =   1.741%  kept
          HB3   CYS   53 - QD    PHE   55   7.58 +/- 0.88   3.351% *  2.1547% (0.53   1.0   0.28   0.02) =   0.110%  kept
          HD3   PRO   93 - QD    PHE   55  10.54 +/- 4.39   2.401% *  0.0989% (0.34   1.0   0.02   0.02) =   0.004%
          HD3   PRO   68 - QD    PHE   55  17.56 +/- 2.69   0.247% *  0.0895% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 2.07, residual support = 19.6:
          HA    PHE   55 - QD    PHE   55   2.80 +/- 0.45  81.496% * 67.1876% (0.84   2.18  21.29) =  91.817%  kept
          HA    ALA  110 - QD    PHE   55  11.53 +/- 5.01  15.464% * 31.4999% (1.00   0.86   0.22) =   8.168%  kept
          HA    GLN   90 - QD    PHE   55  16.85 +/- 2.98   0.474% *  0.7123% (0.97   0.02   0.02) =   0.006%
          HA    VAL  107 - QD    PHE   55  13.36 +/- 3.15   1.188% *  0.2518% (0.34   0.02   0.02) =   0.005%
          HA    ALA   91 - QD    PHE   55  14.65 +/- 3.55   0.796% *  0.1643% (0.22   0.02   0.02) =   0.002%
          HA    VAL   42 - QD    PHE   55  17.52 +/- 2.34   0.582% *  0.1841% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.57 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 = 0.596, support = 1.41, residual support = 2.28:
          HB3   LEU  115 - QD    PHE   55   8.01 +/- 3.10  26.336% * 30.0479% (0.31  1.00   2.47   4.57) =  48.532%  kept
          QB    ALA  110 - QD    PHE   55   9.73 +/- 4.32  18.958% * 21.8169% (0.80  1.00   0.69   0.22) =  25.365%  kept
        T QG    LYS+  66 - QD    PHE   55  13.55 +/- 1.89   8.897% * 31.4807% (0.95 10.00   0.08   0.02) =  17.177%  kept
          QB    ALA   61 - QD    PHE   55  10.00 +/- 1.04  11.700% * 10.9236% (0.97  1.00   0.29   0.02) =   7.838%  kept
        T HG    LEU   67 - QD    PHE   55  17.02 +/- 2.18   2.711% *  1.7560% (0.22 10.00   0.02   0.02) =   0.292%  kept
          HG    LEU   73 - QD    PHE   55  19.41 +/- 4.19   5.970% *  0.6316% (0.80  1.00   0.02   0.02) =   0.231%  kept
          HG    LEU   80 - QD    PHE   55  20.81 +/- 4.74   3.714% *  0.6588% (0.84  1.00   0.02   0.02) =   0.150%  kept
          HB3   LEU   67 - QD    PHE   55  16.82 +/- 2.11   2.908% *  0.7888% (1.00  1.00   0.02   0.02) =   0.141%  kept
          HB2   LEU   80 - QD    PHE   55  19.83 +/- 4.43   4.328% *  0.2434% (0.31  1.00   0.02   0.02) =   0.065%
          HG12  ILE   19 - QD    PHE   55  21.77 +/- 3.08   1.633% *  0.5728% (0.73  1.00   0.02   0.02) =   0.057%
          HD3   LYS+ 121 - QD    PHE   55  15.32 +/- 2.46   5.905% *  0.1561% (0.20  1.00   0.02   0.02) =   0.057%
          HG    LEU   40 - QD    PHE   55  19.40 +/- 3.48   3.347% *  0.2434% (0.31  1.00   0.02   0.02) =   0.050%
          HB3   LYS+  74 - QD    PHE   55  17.75 +/- 2.88   2.992% *  0.1381% (0.18  1.00   0.02   0.02) =   0.025%
          HG2   LYS+ 102 - QD    PHE   55  26.26 +/- 3.11   0.602% *  0.5418% (0.69  1.00   0.02   0.02) =   0.020%
    Distance limit 4.46 A violated in 12 structures by 1.82 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.83, residual support = 4.45:
          QD2   LEU  115 - QD    PHE   55   5.78 +/- 2.29  47.077% * 87.4926% (0.87  1.00   1.88   4.57) =  97.296%  kept
        T QD2   LEU   80 - QD    PHE   55  17.64 +/- 4.13   8.630% *  8.9453% (0.84 10.00   0.02   0.02) =   1.824%  kept
          QD1   LEU   63 - QD    PHE   55   9.76 +/- 1.79  16.664% *  1.0686% (1.00  1.00   0.02   0.02) =   0.421%  kept
          QD1   LEU   73 - QD    PHE   55  16.67 +/- 3.88  10.570% *  1.0686% (1.00  1.00   0.02   0.02) =   0.267%  kept
          QD2   LEU   63 - QD    PHE   55  11.03 +/- 1.71  10.607% *  0.5634% (0.53  1.00   0.02   0.02) =   0.141%  kept
          QD1   LEU  104 - QD    PHE   55  17.32 +/- 2.73   1.933% *  0.6496% (0.61  1.00   0.02   0.02) =   0.030%
          QG1   VAL   83 - QD    PHE   55  17.50 +/- 3.72   4.519% *  0.2119% (0.20  1.00   0.02   0.02) =   0.023%
    Distance limit 4.65 A violated in 4 structures by 0.76 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.941, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.98 +/- 1.74  81.195% * 72.5341% (0.99   0.02   0.02) =  91.937%  kept
          HB3   TRP   49 - QE    PHE   95  13.60 +/- 3.05  18.805% * 27.4659% (0.38   0.02   0.02) =   8.063%  kept
    Distance limit 4.59 A violated in 10 structures by 1.56 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.638, support = 1.31, residual support = 7.73:
        T QE    LYS+ 112 - QE    PHE   95   6.00 +/- 2.55  30.237% * 80.9463% (0.69 10.00   1.14   3.16) =  85.690%  kept
          HB    VAL  107 - QE    PHE   95   4.67 +/- 0.79  35.557% *  8.5994% (0.28  1.00   2.99  46.22) =  10.705%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.22 +/- 2.43  11.676% *  5.3884% (0.57 10.00   0.09   0.02) =   2.203%  kept
          HB3   PHE   45 - QE    PHE   95   6.94 +/- 1.43  15.898% *  1.5567% (0.69  1.00   0.22   1.89) =   0.866%  kept
          HG3   MET   96 - QE    PHE   95   9.38 +/- 1.14   4.808% *  3.1077% (0.20  1.00   1.52  11.92) =   0.523%  kept
          HB3   ASP-  86 - QE    PHE   95  14.81 +/- 1.94   1.405% *  0.1954% (0.95  1.00   0.02   0.02) =   0.010%
          HG2   GLU-  29 - QE    PHE   95  20.85 +/- 2.43   0.421% *  0.2061% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.708, support = 0.44, residual support = 0.237:
          QG1   ILE   56 - QE    PHE   95   5.36 +/- 1.97  29.971% * 21.0243% (0.53   0.45   0.36) =  47.553%  kept
          QD    LYS+ 106 - QE    PHE   95   8.68 +/- 1.43  12.312% * 33.0007% (1.00   0.37   0.20) =  30.663%  kept
          HD2   LYS+ 111 - QE    PHE   95  10.47 +/- 1.71   6.002% * 38.6133% (0.69   0.63   0.02) =  17.489%  kept
          HB2   LEU   73 - QE    PHE   95  12.39 +/- 3.73  12.741% *  1.6399% (0.92   0.02   0.02) =   1.577%  kept
          HB3   MET   92 - QE    PHE   95   8.51 +/- 2.49   9.118% *  1.4225% (0.80   0.02   0.02) =   0.979%  kept
          HG3   PRO   93 - QE    PHE   95   6.81 +/- 2.80  19.095% *  0.6667% (0.38   0.02   0.02) =   0.961%  kept
          QD    LYS+  99 - QE    PHE   95  14.15 +/- 1.78   2.956% *  1.7765% (1.00   0.02   0.02) =   0.396%  kept
          HB3   LYS+  99 - QE    PHE   95  14.32 +/- 1.95   3.115% *  0.7303% (0.41   0.02   0.02) =   0.172%  kept
          HB2   LEU  123 - QE    PHE   95  13.32 +/- 1.35   2.783% *  0.7303% (0.41   0.02   0.02) =   0.153%  kept
          QD    LYS+ 102 - QE    PHE   95  15.72 +/- 2.26   1.907% *  0.3955% (0.22   0.02   0.02) =   0.057%
    Distance limit 4.98 A violated in 0 structures by 0.23 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.644, support = 2.59, residual support = 40.4:
          QG2   VAL  107 - QE    PHE   95   3.35 +/- 0.84  55.025% * 55.1768% (0.69  1.00   2.78  46.22) =  84.826%  kept
          QG2   THR   94 - QE    PHE   95   5.81 +/- 1.00  14.240% * 17.5950% (0.34  1.00   1.78  14.50) =   7.000%  kept
          HB3   LYS+ 112 - QE    PHE   95   7.44 +/- 1.99  14.391% * 16.8892% (0.38  1.00   1.56   3.16) =   6.791%  kept
          HG13  ILE  103 - QE    PHE   95  11.59 +/- 2.07   4.440% *  9.1873% (1.00  1.00   0.32   0.02) =   1.140%  kept
        T QB    ALA   20 - QE    PHE   95  12.59 +/- 2.92   8.853% *  0.8924% (0.15 10.00   0.02   0.02) =   0.221%  kept
          HG2   LYS+ 121 - QE    PHE   95  12.06 +/- 2.40   3.051% *  0.2593% (0.45  1.00   0.02   0.02) =   0.022%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.876, support = 2.93, residual support = 7.45:
          QD2   LEU  115 - QE    PHE   95   3.63 +/- 0.78  45.100% * 63.4965% (0.87  1.00   3.38   8.75) =  83.269%  kept
          QD1   LEU   63 - QE    PHE   95   6.63 +/- 2.95  23.758% * 16.2666% (1.00  1.00   0.75   1.17) =  11.237%  kept
          QD1   LEU   73 - QE    PHE   95  10.63 +/- 2.60   9.500% *  9.6138% (1.00  1.00   0.45   0.02) =   2.656%  kept
          QD2   LEU   63 - QE    PHE   95   7.26 +/- 2.45  14.924% *  5.9075% (0.53  1.00   0.52   1.17) =   2.564%  kept
        T QD2   LEU   80 - QE    PHE   95  13.26 +/- 2.53   1.721% *  3.6159% (0.84 10.00   0.02   0.02) =   0.181%  kept
          QD1   LEU  104 - QE    PHE   95  10.48 +/- 2.05   2.981% *  1.0140% (0.61  1.00   0.08   0.02) =   0.088%
          QG1   VAL   83 - QE    PHE   95  12.12 +/- 1.86   2.016% *  0.0857% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.343, support = 1.49, residual support = 8.68:
        T QD1   LEU  115 - QE    PHE   95   2.51 +/- 0.95  77.554% * 93.3770% (0.34 10.00   1.50   8.75) =  99.202%  kept
          QB    ALA   64 - QE    PHE   95   7.55 +/- 1.82   8.737% *  6.5507% (0.57  1.00   0.63   0.25) =   0.784%  kept
          QG1   VAL   75 - QE    PHE   95   6.47 +/- 1.54  13.709% *  0.0722% (0.20  1.00   0.02   0.02) =   0.014%
    Distance limit 4.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 1.12, residual support = 72.0:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  87.033% * 95.1014% (0.84  10.0   1.10  72.42) =  99.332%  kept
          HN    LEU   63 - QD    PHE   60   4.61 +/- 0.60  12.157% *  4.5639% (0.15   1.0   2.87  11.54) =   0.666%  kept
          HZ2   TRP   87 - QD    PHE   60  14.51 +/- 3.42   0.553% *  0.1850% (0.90   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - QD    PHE   60  16.94 +/- 3.01   0.258% *  0.1498% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 3.75, residual support = 72.4:
      O T HB3   PHE   60 - QD    PHE   60   2.49 +/- 0.19  93.128% * 99.7227% (0.73  10.0 10.00   3.75  72.42) =  99.998%  kept
          QE    LYS+  65 - QD    PHE   60   8.50 +/- 1.58   3.446% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - QD    PHE   60  14.16 +/- 2.55   0.669% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    PHE   60  12.18 +/- 2.30   1.317% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  20.09 +/- 2.79   0.234% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.76 +/- 3.34   0.415% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  13.84 +/- 2.99   0.791% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.844, support = 1.26, residual support = 2.72:
          QD1   ILE   56 - QD    PHE   60   5.57 +/- 1.98  48.992% * 33.3504% (0.99  1.00   1.33   4.32) =  60.063%  kept
          QD2   LEU   73 - QD    PHE   60   8.45 +/- 2.31  26.729% * 27.3939% (0.84  1.00   1.29   0.40) =  26.917%  kept
        T QG1   VAL   41 - QD    PHE   60  11.28 +/- 2.30   9.048% * 38.5583% (0.18 10.00   0.87   0.15) =  12.825%  kept
          HG3   LYS+ 121 - QD    PHE   60  13.17 +/- 2.57  10.623% *  0.3487% (0.69  1.00   0.02   0.02) =   0.136%  kept
          HG    LEU   31 - QD    PHE   60  14.81 +/- 3.19   4.609% *  0.3487% (0.69  1.00   0.02   0.02) =   0.059%
    Distance limit 4.19 A violated in 11 structures by 1.28 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.9, residual support = 2.86:
          QB    ALA   64 - QD    PHE   60   4.44 +/- 1.48 100.000% *100.0000% (0.95   1.90   2.86) = 100.000%  kept
    Distance limit 4.12 A violated in 4 structures by 0.76 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 62.3:
          HN    PHE   97 - QD    PHE   97   2.52 +/- 0.72  94.191% * 99.3228% (0.97   4.07  62.30) =  99.981%  kept
          HN    LEU  115 - QD    PHE   97  10.42 +/- 1.41   3.075% *  0.4884% (0.97   0.02   0.02) =   0.016%
          HN    ASP- 113 - QD    PHE   97  13.37 +/- 2.11   2.522% *  0.1002% (0.20   0.02   0.02) =   0.003%
          HN    ALA   12 - QD    PHE   97  24.19 +/- 3.49   0.212% *  0.0886% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.686, support = 1.08, residual support = 1.37:
          HA    ILE  119 - QD    PHE   97   9.41 +/- 4.47  22.621% * 54.1351% (0.76   1.09   0.92) =  51.840%  kept
          HA    THR  118 - QD    PHE   97   8.45 +/- 3.89  25.838% * 42.9055% (0.61   1.09   1.91) =  46.930%  kept
          HA    VAL   75 - QD    PHE   97  11.77 +/- 1.42  15.487% *  0.6810% (0.53   0.02   0.02) =   0.446%  kept
          HA    ALA   84 - QD    PHE   97  13.27 +/- 2.76  13.881% *  0.6300% (0.49   0.02   0.02) =   0.370%  kept
          HA2   GLY  109 - QD    PHE   97  12.35 +/- 0.61  10.122% *  0.3995% (0.31   0.02   0.02) =   0.171%  kept
          HD3   PRO   58 - QD    PHE   97  14.07 +/- 3.42   9.415% *  0.3599% (0.28   0.02   0.02) =   0.143%  kept
          HB2   TRP   49 - QD    PHE   97  19.63 +/- 2.88   2.635% *  0.8891% (0.69   0.02   0.02) =   0.099%
    Distance limit 4.47 A violated in 8 structures by 1.96 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 61.8:
      O T HB2   PHE   97 - QD    PHE   97   2.46 +/- 0.15  81.977% * 90.0611% (0.90  10.0 10.00   2.44  62.30) =  99.010%  kept
          QE    LYS+ 106 - QD    PHE   97   6.08 +/- 1.02   7.513% *  9.7515% (0.95   1.0  1.00   2.05  11.54) =   0.982%  kept
          HB3   TRP   27 - QD    PHE   97  13.41 +/- 3.21   3.721% *  0.0871% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   60 - QD    PHE   97  11.28 +/- 2.92   2.289% *  0.0804% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - QD    PHE   97   7.14 +/- 1.17   4.501% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.84 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 = 62.3:
      O T HB3   PHE   97 - QD    PHE   97   2.47 +/- 0.18  95.686% * 99.7112% (1.00  10.0 10.00   2.74  62.30) =  99.996%  kept
          HB2   GLU- 100 - QD    PHE   97  11.20 +/- 1.07   1.207% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - QD    PHE   97  13.96 +/- 3.77   1.463% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  12.18 +/- 2.14   1.095% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  15.01 +/- 2.33   0.549% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 1.71, residual support = 4.83:
          QG1   VAL  107 - QD    PHE   97   5.62 +/- 1.11  53.762% * 66.8273% (0.84   1.74   5.41) =  87.078%  kept
          HG13  ILE  119 - QD    PHE   97  10.15 +/- 3.62  16.487% * 30.9344% (0.41   1.63   0.92) =  12.361%  kept
          HD3   LYS+ 112 - QD    PHE   97  12.95 +/- 2.69  11.819% *  0.9034% (0.98   0.02   0.02) =   0.259%  kept
          QG1   VAL   24 - QD    PHE   97  14.33 +/- 3.40   9.963% *  0.9217% (1.00   0.02   0.02) =   0.223%  kept
          HB3   LEU   31 - QD    PHE   97  12.54 +/- 2.74   7.970% *  0.4132% (0.45   0.02   0.02) =   0.080%
    Distance limit 4.21 A violated in 8 structures by 1.29 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.713, support = 2.95, residual support = 13.3:
          HB2   LEU  104 - QD    PHE   97   4.42 +/- 0.97  59.084% * 55.6307% (0.69   3.30  15.98) =  82.421%  kept
          QD1   ILE  119 - QD    PHE   97   9.12 +/- 2.79  14.701% * 35.1497% (0.95   1.51   0.92) =  12.958%  kept
          QG2   VAL  108 - QD    PHE   97   7.09 +/- 0.62  20.466% *  8.9217% (0.53   0.69   0.02) =   4.579%  kept
          HB    VAL   75 - QD    PHE   97  10.18 +/- 1.26   5.749% *  0.2979% (0.61   0.02   0.02) =   0.043%
    Distance limit 4.37 A violated in 1 structures by 0.29 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.45, residual support = 1.88:
          QG2   THR  118 - QD    PHE   97   5.84 +/- 3.48  62.728% * 97.7104% (0.20   1.47   1.91) =  98.627%  kept
          QG2   VAL   70 - QD    PHE   97   6.97 +/- 2.92  37.272% *  2.2896% (0.34   0.02   0.02) =   1.373%  kept
    Distance limit 4.52 A violated in 4 structures by 1.17 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.949, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.48 +/- 2.27  72.677% * 85.0969% (1.00   0.02   0.02) =  93.823%  kept
          QB    ALA   47 - QD    PHE   97  12.95 +/- 1.85  27.323% * 14.9031% (0.18   0.02   0.02) =   6.177%  kept
    Distance limit 4.88 A violated in 18 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.99, residual support = 29.6:
          HN    LEU  115 - QD    PHE   59   6.19 +/- 0.73  58.269% * 99.0828% (0.97   3.00  29.70) =  99.734%  kept
          HN    PHE   97 - QD    PHE   59  11.08 +/- 2.56  18.565% *  0.6615% (0.97   0.02   0.02) =   0.212%  kept
          HN    ASP- 113 - QD    PHE   59   8.69 +/- 0.94  22.243% *  0.1356% (0.20   0.02   0.02) =   0.052%
          HN    ALA   12 - QD    PHE   59  26.15 +/- 2.70   0.923% *  0.1200% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.08 A violated in 4 structures by 1.01 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.88, residual support = 55.8:
          HA    PHE   59 - QD    PHE   59   2.67 +/- 0.60  74.182% * 77.9842% (0.61   3.02  58.01) =  94.168%  kept
          HA    ILE   56 - QD    PHE   59   5.36 +/- 1.14  18.219% * 19.3852% (0.61   0.75  20.24) =   5.749%  kept
          HA    ASP- 113 - QD    PHE   59   7.91 +/- 1.06   4.493% *  0.8504% (1.00   0.02   0.02) =   0.062%
          HA    LEU  123 - QD    PHE   59   9.89 +/- 0.42   1.885% *  0.4149% (0.49   0.02   0.02) =   0.013%
          HA    LYS+  99 - QD    PHE   59  16.06 +/- 2.42   0.497% *  0.6825% (0.80   0.02   0.02) =   0.006%
          HA    ASN   35 - QD    PHE   59  20.60 +/- 1.69   0.214% *  0.5514% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  15.90 +/- 2.08   0.511% *  0.1315% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.56 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 = 0.989, support = 2.37, residual support = 21.9:
        T HA    ILE  119 - QD    PHE   59   3.93 +/- 0.28  70.085% * 51.2610% (1.00 10.00   2.34  23.85) =  83.190%  kept
        T HA    THR  118 - QD    PHE   59   6.75 +/- 0.40  14.927% * 48.5987% (0.95 10.00   2.50  12.50) =  16.798%  kept
          HA    ALA   84 - QD    PHE   59  14.68 +/- 2.52   4.032% *  0.0446% (0.87  1.00   0.02   0.02) =   0.004%
          HA2   GLY  109 - QD    PHE   59  11.63 +/- 2.24   5.046% *  0.0353% (0.69  1.00   0.02   0.02) =   0.004%
          HB2   TRP   49 - QD    PHE   59  14.50 +/- 1.78   1.649% *  0.0504% (0.98  1.00   0.02   0.02) =   0.002%
          HA    VAL   75 - QD    PHE   59  12.00 +/- 2.17   4.262% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.72, residual support = 58.0:
      O   HB2   PHE   59 - QD    PHE   59   2.55 +/- 0.17  80.824% * 99.6982% (0.97  10.0   2.72  58.01) =  99.986%  kept
          HB3   CYS   53 - QD    PHE   59   8.26 +/- 1.90   9.185% *  0.0463% (0.45   1.0   0.02   0.02) =   0.005%
          QB    PHE   55 - QD    PHE   59   7.21 +/- 1.14   4.745% *  0.0789% (0.76   1.0   0.02   0.02) =   0.005%
          HD3   PRO   93 - QD    PHE   59  10.20 +/- 2.58   3.048% *  0.0668% (0.65   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - QD    PHE   59  11.60 +/- 2.17   1.200% *  0.0710% (0.69   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.65 +/- 1.36   0.997% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 3.15, residual support = 58.0:
      O   HB3   PHE   59 - QD    PHE   59   2.44 +/- 0.14  99.511% * 99.9680% (0.97  10.0   3.15  58.01) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  15.17 +/- 1.76   0.489% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.885, support = 2.68, residual support = 27.7:
          HB2   PRO   58 - QD    PHE   59   5.47 +/- 1.62  46.618% * 68.1905% (0.99   2.96  39.81) =  69.191%  kept
          HB2   GLN  116 - QD    PHE   59   5.69 +/- 1.56  45.442% * 31.0889% (0.65   2.07   0.49) =  30.750%  kept
          HB3   PHE   97 - QD    PHE   59  10.90 +/- 2.93   6.658% *  0.3724% (0.80   0.02   0.02) =   0.054%
          HB2   GLU- 100 - QD    PHE   59  19.93 +/- 2.44   0.655% *  0.2447% (0.53   0.02   0.02) =   0.003%
          HG3   GLU-  25 - QD    PHE   59  23.82 +/- 3.55   0.628% *  0.1035% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.2:
        T QG1   ILE   56 - QD    PHE   59   3.25 +/- 0.70  84.713% * 99.5870% (0.97 10.00   1.97  20.24) =  99.982%  kept
          QD    LYS+ 106 - QD    PHE   59  11.42 +/- 2.45   4.516% *  0.1644% (0.34  1.00   0.09   0.02) =   0.009%
          HB    ILE   89 - QD    PHE   59  13.19 +/- 2.24   5.894% *  0.0839% (0.80  1.00   0.02   0.02) =   0.006%
          HB3   LYS+  99 - QD    PHE   59  15.65 +/- 2.79   1.507% *  0.1046% (1.00  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD    PHE   59  15.00 +/- 2.85   1.756% *  0.0393% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD    PHE   59  14.45 +/- 2.32   1.614% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.493, support = 2.43, residual support = 27.8:
          HB3   LEU  115 - QD    PHE   59   4.56 +/- 1.23  22.865% * 61.7648% (0.65   2.37  29.70) =  64.052%  kept
          HG    LEU  115 - QD    PHE   59   3.48 +/- 0.91  35.134% * 18.5427% (0.15   2.98  29.70) =  29.548%  kept
          QB    ALA   61 - QD    PHE   59   5.57 +/- 0.92  12.343% *  6.4937% (0.69   0.23   0.73) =   3.635%  kept
          QB    ALA  120 - QD    PHE   59   7.07 +/- 0.61   5.530% *  8.1568% (0.15   1.31   0.02) =   2.046%  kept
          HG    LEU   73 - QD    PHE   59  14.14 +/- 2.70   7.075% *  0.8054% (1.00   0.02   0.02) =   0.258%  kept
          QG    LYS+  66 - QD    PHE   59   8.82 +/- 1.79   5.485% *  0.7790% (0.97   0.02   0.02) =   0.194%  kept
          HB3   LEU   67 - QD    PHE   59  10.74 +/- 2.88   3.637% *  0.6742% (0.84   0.02   0.02) =   0.111%  kept
          HG    LEU   67 - QD    PHE   59  10.91 +/- 2.89   3.441% *  0.4247% (0.53   0.02   0.02) =   0.066%
          QB    ALA  110 - QD    PHE   59   9.69 +/- 1.53   2.018% *  0.3619% (0.45   0.02   0.02) =   0.033%
          HG    LEU   40 - QD    PHE   59  12.66 +/- 2.01   1.002% *  0.5222% (0.65   0.02   0.02) =   0.024%
          HG2   LYS+ 102 - QD    PHE   59  19.87 +/- 3.08   0.435% *  0.7790% (0.97   0.02   0.02) =   0.015%
          HG    LEU   80 - QD    PHE   59  17.77 +/- 3.75   0.549% *  0.3929% (0.49   0.02   0.02) =   0.010%
          HG12  ILE   19 - QD    PHE   59  16.12 +/- 1.95   0.486% *  0.3029% (0.38   0.02   0.02) =   0.007%
    Distance limit 5.14 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 = 0.46, support = 3.26, residual support = 21.2:
        T HG13  ILE  119 - QD    PHE   59   2.94 +/- 0.73  59.508% * 73.5479% (0.41 10.00   3.63  23.85) =  88.800%  kept
        T QG1   VAL  107 - QD    PHE   59   5.91 +/- 1.93  21.450% * 23.3406% (0.84 10.00   0.31   0.29) =  10.158%  kept
          HD3   LYS+ 112 - QD    PHE   59   6.94 +/- 2.35  17.958% *  2.8525% (0.98  1.00   0.33   2.10) =   1.039%  kept
          QG1   VAL   24 - QD    PHE   59  16.49 +/- 3.10   0.719% *  0.1789% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - QD    PHE   59  18.02 +/- 1.54   0.365% *  0.0802% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.797, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.49 +/- 0.95  45.965% * 60.0043% (0.98   0.02   0.02) =  71.032%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.40 +/- 0.62  34.439% * 22.9752% (0.38   0.02   0.02) =  20.378%  kept
          HB3   LEU  104 - QD    PHE   59  13.67 +/- 3.62  19.596% * 17.0205% (0.28   0.02   0.02) =   8.590%  kept
    Distance limit 4.88 A violated in 19 structures by 2.77 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 4.51, residual support = 27.5:
          QD2   LEU  115 - QD    PHE   59   2.79 +/- 0.94  54.788% * 84.5301% (0.98   4.80  29.70) =  92.642%  kept
          QD1   LEU   63 - QD    PHE   59   5.10 +/- 2.20  25.543% * 14.2586% (0.92   0.86   0.02) =   7.285%  kept
          QD2   LEU   63 - QD    PHE   59   5.96 +/- 2.00  12.282% *  0.1226% (0.34   0.02   0.02) =   0.030%
          QD1   LEU   73 - QD    PHE   59  12.46 +/- 2.29   2.446% *  0.3317% (0.92   0.02   0.02) =   0.016%
          QD1   LEU  104 - QD    PHE   59  11.51 +/- 2.77   2.356% *  0.2877% (0.80   0.02   0.02) =   0.014%
          QD2   LEU   80 - QD    PHE   59  15.09 +/- 3.22   1.419% *  0.3467% (0.97   0.02   0.02) =   0.010%
          QG1   VAL   83 - QD    PHE   59  14.54 +/- 2.44   1.166% *  0.1226% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.36 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 = 4.52, residual support = 29.7:
        T QD1   LEU  115 - QD    PHE   59   2.98 +/- 0.58  84.338% * 99.5108% (0.84 10.00   4.52  29.70) =  99.947%  kept
          QB    ALA   64 - QD    PHE   59   7.44 +/- 0.83   9.663% *  0.4121% (0.15  1.00   0.45   0.02) =   0.047%
          QG1   VAL   75 - QD    PHE   59   8.70 +/- 1.65   5.999% *  0.0771% (0.65  1.00   0.02   0.02) =   0.006%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 1.49, residual support = 29.4:
        T HA    LEU  115 - QE    PHE   59   3.35 +/- 0.63  70.162% * 91.4080% (0.73 10.00   1.50  29.70) =  98.953%  kept
          HA    GLU- 114 - QE    PHE   59   7.11 +/- 0.38   8.574% *  7.6707% (1.00  1.00   0.92   0.02) =   1.015%  kept
        T HA    ARG+  54 - QE    PHE   59  10.36 +/- 1.35   4.017% *  0.3322% (0.20 10.00   0.02   0.02) =   0.021%
          HA    CYS   53 - QE    PHE   59   8.20 +/- 1.90  14.993% *  0.0294% (0.18  1.00   0.02   0.02) =   0.007%
          HA    ALA   34 - QE    PHE   59  18.16 +/- 2.20   0.602% *  0.1456% (0.87  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QE    PHE   59  18.97 +/- 2.99   0.530% *  0.1645% (0.98  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QE    PHE   59  20.92 +/- 2.46   0.522% *  0.1344% (0.80  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    PHE   59  19.00 +/- 1.84   0.601% *  0.1153% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.85, residual support = 12.5:
        T HB    THR  118 - QE    PHE   59   3.16 +/- 0.57  95.173% * 99.7435% (0.95 10.00   1.85  12.50) =  99.997%  kept
          HA    ILE   89 - QE    PHE   59  12.62 +/- 1.97   2.276% *  0.0692% (0.61  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - QE    PHE   59  17.28 +/- 2.47   0.745% *  0.0512% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  19.69 +/- 3.08   0.538% *  0.0692% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.04 +/- 3.29   0.895% *  0.0200% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  21.82 +/- 2.23   0.373% *  0.0469% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.928, support = 1.14, residual support = 1.78:
          QE    LYS+ 112 - QE    PHE   59   6.53 +/- 2.12  30.756% * 71.0081% (1.00   1.40   2.10) =  72.566%  kept
          HB    VAL  107 - QE    PHE   59   5.65 +/- 2.65  37.850% * 18.0033% (0.80   0.44   0.29) =  22.642%  kept
          HB3   ASP-  62 - QE    PHE   59   6.70 +/- 0.98  18.061% *  4.7776% (0.14   0.69   6.41) =   2.867%  kept
          HB3   PHE   45 - QE    PHE   59  10.11 +/- 2.48  11.721% *  4.8829% (1.00   0.10   0.02) =   1.902%  kept
          HB3   ASP-  86 - QE    PHE   59  17.49 +/- 2.36   0.760% *  0.4565% (0.45   0.02   0.02) =   0.012%
          HG2   GLU-  29 - QE    PHE   59  22.34 +/- 2.16   0.381% *  0.6176% (0.61   0.02   0.02) =   0.008%
          QG    GLN   32 - QE    PHE   59  20.23 +/- 1.58   0.472% *  0.2539% (0.25   0.02   0.02) =   0.004%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.732, support = 4.24, residual support = 23.3:
          HG12  ILE  119 - QE    PHE   59   2.47 +/- 0.57  87.521% * 69.3483% (0.73   4.31  23.85) =  97.886%  kept
          HB2   ASP-  44 - QE    PHE   59   8.56 +/- 2.55   4.556% * 21.9067% (0.99   1.00   0.02) =   1.610%  kept
          HB3   PHE   72 - QE    PHE   59  11.53 +/- 2.94   4.350% *  6.9550% (1.00   0.31   0.02) =   0.488%  kept
          QG    GLN   90 - QE    PHE   59  13.48 +/- 1.94   1.419% *  0.4343% (0.98   0.02   0.02) =   0.010%
          HG3   MET   92 - QE    PHE   59  12.64 +/- 2.86   1.356% *  0.1105% (0.25   0.02   0.02) =   0.002%
          QG    GLU-  15 - QE    PHE   59  18.49 +/- 2.01   0.285% *  0.4191% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - QE    PHE   59  20.04 +/- 2.07   0.203% *  0.4420% (1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   59  21.39 +/- 2.25   0.190% *  0.1511% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  25.14 +/- 2.54   0.121% *  0.2331% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.733, support = 3.52, residual support = 18.3:
          HG13  ILE  119 - QE    PHE   59   3.32 +/- 0.66  42.792% * 62.8866% (0.73   4.29  23.85) =  75.257%  kept
          HD3   LYS+ 112 - QE    PHE   59   6.97 +/- 2.44  19.288% * 24.9416% (0.95   1.30   2.10) =  13.453%  kept
          QG1   VAL  107 - QE    PHE   59   4.50 +/- 2.15  35.330% * 11.4116% (0.53   1.07   0.29) =  11.275%  kept
          QG1   VAL   24 - QE    PHE   59  16.53 +/- 3.24   0.674% *  0.3506% (0.87   0.02   0.02) =   0.007%
          QB    ALA   20 - QE    PHE   59  14.09 +/- 3.10   1.565% *  0.1008% (0.25   0.02   0.02) =   0.004%
          HB3   LEU   31 - QE    PHE   59  17.67 +/- 1.81   0.351% *  0.3089% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.836, support = 2.68, residual support = 27.0:
        T QD2   LEU  115 - QE    PHE   59   2.86 +/- 0.61  53.899% * 84.9819% (0.87 10.00   2.90  29.70) =  90.865%  kept
        T QD1   LEU   63 - QE    PHE   59   5.83 +/- 3.00  34.157% * 13.3452% (0.53 10.00   0.52   0.02) =   9.043%  kept
        T QD1   LEU   73 - QE    PHE   59  12.47 +/- 2.86   4.900% *  0.5154% (0.53 10.00   0.02   0.02) =   0.050%
        T QD1   LEU  104 - QE    PHE   59  10.77 +/- 2.54   2.008% *  0.9775% (1.00 10.00   0.02   0.02) =   0.039%
          QG2   ILE   89 - QE    PHE   59   9.80 +/- 1.97   3.784% *  0.0172% (0.18  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   59  15.17 +/- 3.49   0.676% *  0.0879% (0.90  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   59  14.35 +/- 2.67   0.576% *  0.0749% (0.76  1.00   0.02   0.02) =   0.001%
    Distance limit 4.21 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 = 2.9, residual support = 29.0:
          QD1   LEU  115 - QE    PHE   59   2.97 +/- 0.72  85.193% * 80.5125% (0.45   2.96  29.70) =  97.472%  kept
          QB    ALA   64 - QE    PHE   59   8.03 +/- 1.43   9.190% * 19.1498% (0.45   0.70   0.02) =   2.501%  kept
          QG1   VAL   75 - QE    PHE   59   8.81 +/- 2.05   5.617% *  0.3377% (0.28   0.02   0.02) =   0.027%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.21, residual support = 12.5:
          QG2   THR  118 - QE    PHE   59   2.66 +/- 0.75 100.000% *100.0000% (0.80   4.21  12.50) = 100.000%  kept
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.1, residual support = 72.4:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  91.927% * 98.8828% (0.99  10.0   1.10  72.42) =  99.945%  kept
          QE    PHE   59 - QE    PHE   60   8.30 +/- 2.50   5.526% *  0.8410% (0.28   1.0   0.33  20.14) =   0.051%
          HN    LYS+  66 - QE    PHE   60   8.28 +/- 1.22   2.198% *  0.1381% (0.76   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - QE    PHE   60  16.45 +/- 3.92   0.350% *  0.1381% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 0.843, support = 1.36, residual support = 4.34:
          HB3   PHE   72 - QE    PHE   60   8.18 +/- 2.82  22.228% * 59.1533% (0.87   1.86   6.31) =  57.528%  kept
          HB2   ASP-  44 - QE    PHE   60   6.26 +/- 3.54  35.345% * 20.9733% (0.76   0.75   2.18) =  32.433%  kept
          HG12  ILE  119 - QE    PHE   60  10.18 +/- 1.84  12.843% * 16.8956% (0.98   0.47   0.02) =   9.494%  kept
          QG    GLN   90 - QE    PHE   60  14.94 +/- 3.78   4.057% *  0.6756% (0.92   0.02   0.02) =   0.120%  kept
          HG3   MET   92 - QE    PHE   60  14.16 +/- 4.06   6.521% *  0.4143% (0.57   0.02   0.02) =   0.118%  kept
          QG    GLU-  14 - QE    PHE   60  16.06 +/- 3.49   4.410% *  0.5860% (0.80   0.02   0.02) =   0.113%  kept
          QG    GLU-  15 - QE    PHE   60  14.75 +/- 3.12   5.140% *  0.4734% (0.65   0.02   0.02) =   0.106%  kept
          HB2   ASP- 105 - QE    PHE   60  13.45 +/- 2.84   5.608% *  0.1629% (0.22   0.02   0.02) =   0.040%
          HB2   GLU-  29 - QE    PHE   60  18.16 +/- 3.98   1.365% *  0.5027% (0.69   0.02   0.02) =   0.030%
          QB    MET   11 - QE    PHE   60  20.90 +/- 3.27   2.484% *  0.1629% (0.22   0.02   0.02) =   0.018%
    Distance limit 5.08 A violated in 5 structures by 0.98 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.984, support = 1.32, residual support = 3.4:
          HB    VAL   42 - QE    PHE   60   8.96 +/- 3.06  14.795% * 63.3910% (1.00  1.00   1.63   4.47) =  74.596%  kept
          HB3   LEU   73 - QE    PHE   60  10.07 +/- 3.77   9.299% * 21.8582% (0.98  1.00   0.57   0.40) =  16.167%  kept
          HG3   LYS+  65 - QE    PHE   60   8.92 +/- 2.20  11.161% *  8.2120% (1.00  1.00   0.21   0.02) =   7.290%  kept
        T QB    ALA   84 - QE    PHE   60  12.53 +/- 3.12   2.840% *  1.9432% (0.25 10.00   0.02   0.02) =   0.439%  kept
          HB3   LYS+  74 - QE    PHE   60   8.67 +/- 4.33  19.709% *  0.1943% (0.25  1.00   0.02   0.02) =   0.305%  kept
          HB2   LYS+ 112 - QE    PHE   60  12.88 +/- 3.06   4.292% *  0.7194% (0.92  1.00   0.02   0.02) =   0.246%  kept
          HB3   PRO   93 - QE    PHE   60   9.92 +/- 4.11  13.468% *  0.2167% (0.28  1.00   0.02   0.02) =   0.232%  kept
          HG3   LYS+  33 - QE    PHE   60  16.64 +/- 4.22   2.843% *  0.7776% (1.00  1.00   0.02   0.02) =   0.176%  kept
          HD3   LYS+ 121 - QE    PHE   60  13.45 +/- 3.67  10.078% *  0.1735% (0.22  1.00   0.02   0.02) =   0.139%  kept
          HG3   LYS+ 106 - QE    PHE   60  14.42 +/- 3.34   2.557% *  0.6509% (0.84  1.00   0.02   0.02) =   0.132%  kept
          QB    LEU   98 - QE    PHE   60  12.94 +/- 2.45   3.636% *  0.3793% (0.49  1.00   0.02   0.02) =   0.110%  kept
          QB    ALA   12 - QE    PHE   60  17.67 +/- 2.92   1.805% *  0.5955% (0.76  1.00   0.02   0.02) =   0.085%
          HG3   LYS+ 102 - QE    PHE   60  20.47 +/- 3.43   0.918% *  0.7521% (0.97  1.00   0.02   0.02) =   0.055%
          HG    LEU   98 - QE    PHE   60  14.23 +/- 3.06   2.599% *  0.1365% (0.18  1.00   0.02   0.02) =   0.028%
    Distance limit 5.10 A violated in 6 structures by 0.85 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.2, support = 1.32, residual support = 4.31:
        T QD1   ILE   56 - QE    PHE   60   6.93 +/- 2.46  64.183% * 98.7583% (0.20 10.00   1.33   4.32) =  99.657%  kept
          HG3   LYS+ 121 - QE    PHE   60  14.41 +/- 3.38  20.747% *  0.5467% (0.73  1.00   0.02   0.02) =   0.178%  kept
          QD2   LEU  123 - QE    PHE   60  13.18 +/- 1.50  15.070% *  0.6950% (0.92  1.00   0.02   0.02) =   0.165%  kept
    Distance limit 5.33 A violated in 10 structures by 1.73 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.702, support = 1.41, residual support = 3.28:
          QB    ALA   64 - QE    PHE   60   4.73 +/- 1.86  54.271% * 59.1502% (0.84   1.20   2.86) =  72.891%  kept
          QG1   VAL   42 - QE    PHE   60   6.54 +/- 2.65  29.395% * 40.3199% (0.34   2.00   4.47) =  26.912%  kept
          QB    ALA   47 - QE    PHE   60   9.14 +/- 2.47  16.333% *  0.5299% (0.45   0.02   0.02) =   0.197%  kept
    Distance limit 4.89 A violated in 3 structures by 0.35 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 2.17, residual support = 3.76:
          HB2   ASP-  44 - QD    PHE   60   5.43 +/- 3.57  38.781% * 39.7679% (0.87   1.86   2.18) =  54.607%  kept
          HB3   PHE   72 - QD    PHE   60   8.34 +/- 2.24  22.425% * 51.2886% (0.76   2.73   6.31) =  40.724%  kept
          HG12  ILE  119 - QD    PHE   60   8.36 +/- 1.54  17.608% *  7.1151% (0.34   0.85   0.02) =   4.436%  kept
          QG    GLU-  15 - QD    PHE   60  15.24 +/- 2.41   4.455% *  0.4655% (0.95   0.02   0.02) =   0.073%
          QG    GLN   90 - QD    PHE   60  14.52 +/- 3.37   4.993% *  0.3380% (0.69   0.02   0.02) =   0.060%
          QG    GLU-  14 - QD    PHE   60  16.62 +/- 2.62   3.391% *  0.4111% (0.84   0.02   0.02) =   0.049%
          QB    MET   11 - QD    PHE   60  21.60 +/- 3.05   2.019% *  0.4414% (0.90   0.02   0.02) =   0.032%
          HG2   MET   92 - QD    PHE   60  13.31 +/- 3.58   5.253% *  0.0862% (0.18   0.02   0.02) =   0.016%
          HG3   GLU-  36 - QD    PHE   60  21.02 +/- 3.73   1.076% *  0.0862% (0.18   0.02   0.02) =   0.003%
    Distance limit 5.15 A violated in 5 structures by 0.84 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.27, residual support = 90.3:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.278% * 99.8968% (0.87  10.0   3.27  90.29) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  11.18 +/- 1.33   1.057% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.52 +/- 1.83   0.665% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.694, support = 2.95, residual support = 5.44:
          QD    PHE   60 - QD    PHE   72   6.43 +/- 2.07  37.895% * 81.5002% (0.76   3.27   6.31) =  85.908%  kept
          HE3   TRP   27 - QD    PHE   72   7.00 +/- 1.54  27.413% *  9.4081% (0.25   1.16   0.02) =   7.174%  kept
          HN    LYS+  66 - QD    PHE   72   6.88 +/- 0.75  29.682% *  8.3156% (0.28   0.92   0.27) =   6.866%  kept
          HN    LYS+  81 - QD    PHE   72  15.78 +/- 2.09   2.406% *  0.6469% (0.99   0.02   0.02) =   0.043%
          QD    PHE   55 - QD    PHE   72  14.88 +/- 2.38   2.604% *  0.1292% (0.20   0.02   0.02) =   0.009%
    Distance limit 4.37 A violated in 1 structures by 0.76 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.463, support = 1.29, residual support = 10.4:
          QE    PHE   60 - QD    PHE   72   6.22 +/- 2.62  41.099% * 40.4692% (0.18   1.99   6.31) =  53.571%  kept
          HN    LEU   63 - QD    PHE   72   7.27 +/- 1.03  28.017% * 47.4673% (0.80   0.51  16.34) =  42.834%  kept
          HZ2   TRP   87 - QD    PHE   72  11.51 +/- 3.00  11.833% *  6.9526% (0.73   0.08   0.02) =   2.650%  kept
          HD21  ASN   28 - QD    PHE   72  12.06 +/- 1.56   9.073% *  2.0825% (0.90   0.02   0.02) =   0.609%  kept
          HN    ILE   56 - QD    PHE   72  14.24 +/- 1.82   3.779% *  1.5950% (0.69   0.02   0.02) =   0.194%  kept
          HN    ALA   84 - QD    PHE   72  14.30 +/- 1.98   4.245% *  0.7167% (0.31   0.02   0.02) =   0.098%
          HN    LYS+ 111 - QD    PHE   72  18.17 +/- 2.27   1.953% *  0.7167% (0.31   0.02   0.02) =   0.045%
    Distance limit 5.05 A violated in 5 structures by 0.75 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.61, residual support = 90.3:
          HN    PHE   72 - QD    PHE   72   2.39 +/- 0.37  98.761% * 99.8232% (0.98   5.61  90.29) =  99.998%  kept
          HN    LEU  104 - QD    PHE   72  11.69 +/- 1.98   1.239% *  0.1768% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.54 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 = 0.729, support = 2.04, residual support = 90.3:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.946% * 52.6465% (0.76  10.0 10.00   1.00  90.29) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.791% * 47.3200% (0.69  10.0 10.00   3.27  90.29) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   7.91 +/- 1.31   1.263% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 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 = 0.644, support = 0.964, residual support = 4.83:
          QD    PHE   60 - QE    PHE   72   5.49 +/- 2.41  43.297% * 66.7087% (0.76   1.03   6.31) =  75.548%  kept
          HN    LYS+  66 - QE    PHE   72   5.14 +/- 0.89  40.100% * 18.9796% (0.28   0.81   0.27) =  19.907%  kept
          HE3   TRP   27 - QE    PHE   72   8.66 +/- 1.63  13.944% * 12.2956% (0.25   0.58   0.02) =   4.485%  kept
          HN    LYS+  81 - QE    PHE   72  15.66 +/- 1.71   1.041% *  1.6805% (0.99   0.02   0.02) =   0.046%
          QD    PHE   55 - QE    PHE   72  14.04 +/- 1.69   1.617% *  0.3355% (0.20   0.02   0.02) =   0.014%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.3:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.933% * 99.8250% (1.00  10.0   1.00  90.29) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  13.11 +/- 2.93   0.689% *  0.1133% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  15.45 +/- 1.87   0.378% *  0.0618% (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 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.63, residual support = 90.3:
          HA    PHE   72 - QD    PHE   72   3.67 +/- 0.17  94.455% * 99.8361% (0.90   4.63  90.29) =  99.990%  kept
          HA    MET   96 - QD    PHE   72   9.91 +/- 1.51   5.545% *  0.1639% (0.34   0.02   0.02) =   0.010%
    Distance limit 5.04 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 = 0.533, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   8.33 +/- 2.13  48.113% *  9.9133% (0.22   0.02   0.02) =  29.324%  kept
          HA    THR   23 - QD    PHE   72  12.40 +/- 1.44  16.076% * 28.8048% (0.65   0.02   0.02) =  28.469%  kept
          HA    ASP-  78 - QD    PHE   72  14.27 +/- 0.53  10.566% * 41.1037% (0.92   0.02   0.02) =  26.701%  kept
          HA    LEU   80 - QD    PHE   72  14.48 +/- 2.50  12.075% * 12.3802% (0.28   0.02   0.02) =   9.191%  kept
          HB    THR   23 - QD    PHE   72  13.16 +/- 0.98  13.170% *  7.7981% (0.18   0.02   0.02) =   6.314%  kept
    Distance limit 5.00 A violated in 19 structures by 2.75 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.02, residual support = 65.3:
        T HA    ALA   64 - QD    PHE   72   3.86 +/- 0.48  21.332% * 82.2895% (0.92   1.0 10.00   3.61  46.06) =  56.414%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.39 +/- 0.12  76.876% * 17.6413% (0.20  10.0 10.00   4.56  90.29) =  43.584%  kept
          QE    LYS+  66 - QD    PHE   72  10.08 +/- 1.20   1.315% *  0.0222% (0.25   1.0  1.00   0.02   0.27) =   0.001%
          HB3   ASN   35 - QD    PHE   72  13.59 +/- 1.63   0.477% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.88 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 = 4.84, residual support = 90.3:
      O T HB3   PHE   72 - QD    PHE   72   2.47 +/- 0.10  71.232% * 99.4111% (0.98  10.0 10.00   4.84  90.29) =  99.964%  kept
          HB2   ASP-  44 - QD    PHE   72   4.95 +/- 2.04  20.312% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.027%
          HG12  ILE  119 - QD    PHE   72  11.28 +/- 2.57   4.045% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - QD    PHE   72   9.99 +/- 2.13   1.390% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   72  11.74 +/- 2.23   1.089% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   72  14.84 +/- 1.58   0.366% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   72  12.76 +/- 1.33   0.634% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.57 +/- 2.96   0.617% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.06 +/- 2.19   0.316% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.767, support = 1.74, residual support = 12.8:
        T HB    VAL   42 - QD    PHE   72   4.26 +/- 1.54  36.563% * 52.8650% (0.80 10.00   0.74   4.09) =  69.019%  kept
          HB3   LEU   73 - QD    PHE   72   5.13 +/- 0.55  21.214% * 30.2354% (0.73  1.00   4.67  42.98) =  22.903%  kept
          HB3   LYS+  74 - QD    PHE   72   6.04 +/- 1.16  16.680% * 11.3209% (0.57  1.00   2.24   1.24) =   6.743%  kept
          HG3   LYS+  65 - QD    PHE   72   7.71 +/- 1.32   9.472% *  3.6463% (0.80  1.00   0.51   0.02) =   1.233%  kept
        T HB2   LYS+ 112 - QD    PHE   72  16.04 +/- 2.95   0.810% *  1.0819% (0.61 10.00   0.02   0.02) =   0.031%
          HG3   LYS+  33 - QD    PHE   72  10.42 +/- 2.46   4.124% *  0.1547% (0.87  1.00   0.02   0.02) =   0.023%
          QB    LEU   98 - QD    PHE   72   8.99 +/- 1.85   4.246% *  0.1490% (0.84  1.00   0.02   0.02) =   0.023%
          QB    ALA   12 - QD    PHE   72  13.72 +/- 2.03   1.363% *  0.1768% (0.99  1.00   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - QD    PHE   72  12.39 +/- 3.73   2.132% *  0.0938% (0.53  1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - QD    PHE   72  12.60 +/- 1.95   1.304% *  0.0868% (0.49  1.00   0.02   0.02) =   0.004%
          HB2   LEU   80 - QD    PHE   72  13.20 +/- 3.09   1.507% *  0.0669% (0.38  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QD    PHE   72  16.54 +/- 2.20   0.585% *  0.1225% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 4.52 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 = 0.507, support = 1.55, residual support = 23.2:
        T QD1   LEU   67 - QD    PHE   72   3.98 +/- 1.07  35.700% * 73.9895% (0.41 10.00   1.50  27.86) =  81.902%  kept
          HB    VAL   75 - QD    PHE   72   4.63 +/- 0.75  25.138% * 21.7466% (0.98  1.00   1.85   2.00) =  16.950%  kept
          HG3   LYS+  74 - QD    PHE   72   7.07 +/- 0.94   7.915% *  2.7229% (0.22  1.00   1.02   1.24) =   0.668%  kept
        T QD1   ILE  119 - QD    PHE   72   9.77 +/- 2.23  10.697% *  1.2625% (0.53 10.00   0.02   0.02) =   0.419%  kept
          QD2   LEU   40 - QD    PHE   72   5.90 +/- 1.02  15.438% *  0.1076% (0.45  1.00   0.02   0.02) =   0.051%
          QG2   ILE  103 - QD    PHE   72  10.64 +/- 1.51   2.200% *  0.0741% (0.31  1.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - QD    PHE   72  11.72 +/- 2.78   1.573% *  0.0598% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.72 +/- 1.70   1.340% *  0.0370% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.939, support = 6.53, residual support = 42.6:
          QD2   LEU   73 - QD    PHE   72   3.63 +/- 0.89  49.379% * 96.8279% (0.95   6.58  42.98) =  99.060%  kept
          QG1   VAL   43 - QD    PHE   72   5.88 +/- 1.87  19.089% *  1.3754% (0.15   0.57   0.02) =   0.544%  kept
          QG1   VAL   41 - QD    PHE   72   6.32 +/- 1.59  13.592% *  1.0652% (0.28   0.25   0.02) =   0.300%  kept
          HG    LEU   31 - QD    PHE   72   8.96 +/- 1.83  11.349% *  0.2597% (0.84   0.02   0.02) =   0.061%
          QD1   ILE   56 - QD    PHE   72  10.97 +/- 1.99   4.166% *  0.3082% (0.99   0.02   0.02) =   0.027%
          HG3   LYS+ 121 - QD    PHE   72  13.38 +/- 3.64   2.424% *  0.1636% (0.53   0.02   0.02) =   0.008%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 5.73, residual support = 46.1:
        T QB    ALA   64 - QD    PHE   72   2.71 +/- 0.36  96.108% * 99.9781% (0.80 10.00   5.73  46.06) =  99.999%  kept
          QD1   LEU  115 - QD    PHE   72  10.22 +/- 2.17   3.892% *  0.0219% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.32 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 = 3.79, residual support = 45.4:
        T QG2   VAL   70 - QD    PHE   72   2.15 +/- 0.68 100.000% *100.0000% (0.65 10.00   3.79  45.40) = 100.000%  kept
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.379, support = 4.02, residual support = 45.7:
        T HA    ALA   64 - QE    PHE   72   2.52 +/- 0.40  92.545% * 90.4636% (0.38 10.00   4.04  46.06) =  99.242%  kept
          QE    LYS+  66 - QE    PHE   72   8.45 +/- 1.21   6.862% *  9.2975% (0.80  1.00   0.96   0.27) =   0.756%  kept
          HB3   ASN   35 - QE    PHE   72  15.27 +/- 1.56   0.593% *  0.2389% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 4.16 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 = 0.989, support = 4.09, residual support = 41.2:
        T HB    VAL   70 - QE    PHE   72   2.66 +/- 1.04  69.451% * 76.8881% (0.99 10.00   4.45  45.40) =  90.749%  kept
        T QG    GLN   17 - QE    PHE   72   7.49 +/- 2.63  23.759% * 22.9005% (0.97 10.00   0.61   0.02) =   9.246%  kept
          HB2   MET   96 - QE    PHE   72   9.04 +/- 1.88   2.208% *  0.0648% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - QE    PHE   72   9.36 +/- 0.90   2.225% *  0.0239% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  16.04 +/- 1.00   0.345% *  0.0696% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  12.17 +/- 1.98   1.111% *  0.0120% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  15.08 +/- 2.70   0.446% *  0.0291% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.65 +/- 1.44   0.455% *  0.0120% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.458, support = 3.14, residual support = 26.4:
        T HB2   LEU   67 - QE    PHE   72   3.13 +/- 0.95  47.422% * 81.8909% (0.45 10.00   3.25  27.86) =  94.509%  kept
          HG2   PRO   68 - QE    PHE   72   7.64 +/- 1.55  13.325% * 11.2354% (0.80  1.00   1.54   0.50) =   3.643%  kept
          HB    VAL   18 - QE    PHE   72   5.24 +/- 3.57  27.502% *  2.2455% (0.22  1.00   1.10   0.94) =   1.503%  kept
          HB    ILE   19 - QE    PHE   72   7.86 +/- 1.04   3.348% *  3.4166% (0.73  1.00   0.52   0.11) =   0.278%  kept
          HB2   GLN   17 - QE    PHE   72   8.47 +/- 2.42   3.108% *  0.6939% (0.18  1.00   0.43   0.02) =   0.052%
          HB2   LEU  115 - QE    PHE   72  12.66 +/- 2.50   1.339% *  0.1526% (0.84  1.00   0.02   0.02) =   0.005%
          HG3   PRO   58 - QE    PHE   72  13.57 +/- 1.57   1.028% *  0.1584% (0.87  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QE    PHE   72  14.32 +/- 2.16   0.943% *  0.1182% (0.65  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - QE    PHE   72  10.49 +/- 1.79   1.324% *  0.0320% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    PHE   72  16.31 +/- 1.22   0.661% *  0.0564% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.04 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.521, support = 2.58, residual support = 18.5:
          HB3   LEU   67 - QE    PHE   72   3.38 +/- 1.16  46.222% * 35.2787% (0.38   3.25  27.86) =  65.045%  kept
          HB3   LYS+  74 - QE    PHE   72   6.10 +/- 1.39  17.605% * 38.3735% (0.90   1.48   1.24) =  26.947%  kept
          QG    LYS+  66 - QE    PHE   72   6.75 +/- 1.20  12.959% *  8.5207% (0.22   1.32   0.27) =   4.405%  kept
          HG12  ILE   19 - QE    PHE   72   8.32 +/- 1.73   4.760% * 12.4475% (0.84   0.51   0.11) =   2.363%  kept
          QB    ALA   61 - QE    PHE   72   6.35 +/- 0.78   9.692% *  2.8153% (0.53   0.18   0.02) =   1.088%  kept
          HD3   LYS+ 121 - QE    PHE   72  12.26 +/- 3.46   1.969% *  0.5347% (0.92   0.02   0.02) =   0.042%
          QB    LEU   98 - QE    PHE   72   9.90 +/- 1.61   2.562% *  0.3747% (0.65   0.02   0.02) =   0.038%
          HB2   LEU   80 - QE    PHE   72  13.27 +/- 2.64   1.208% *  0.5741% (0.99   0.02   0.02) =   0.028%
          HG    LEU   80 - QE    PHE   72  13.98 +/- 3.82   1.583% *  0.4206% (0.73   0.02   0.02) =   0.027%
          QB    ALA  110 - QE    PHE   72  15.39 +/- 2.21   0.558% *  0.4427% (0.76   0.02   0.02) =   0.010%
          QB    ALA   12 - QE    PHE   72  14.21 +/- 2.05   0.883% *  0.2174% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.449, support = 3.84, residual support = 26.0:
        T QD1   LEU   67 - QE    PHE   72   2.59 +/- 0.68  53.710% * 82.6935% (0.41 10.00   4.03  27.86) =  92.717%  kept
          HB    VAL   75 - QE    PHE   72   4.14 +/- 0.68  22.178% * 14.6678% (0.98  1.00   1.49   2.00) =   6.791%  kept
          HG3   LYS+  74 - QE    PHE   72   6.56 +/- 1.55  13.773% *  1.3470% (0.22  1.00   0.60   1.24) =   0.387%  kept
        T QD1   ILE  119 - QE    PHE   72   8.97 +/- 2.26   4.316% *  1.0583% (0.53 10.00   0.02   0.02) =   0.095%
          QD2   LEU   40 - QE    PHE   72   6.76 +/- 1.15   3.927% *  0.0902% (0.45  1.00   0.02   0.02) =   0.007%
          QG2   ILE  103 - QE    PHE   72  11.09 +/- 1.39   0.767% *  0.0621% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  12.23 +/- 2.70   0.710% *  0.0502% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.66 +/- 1.64   0.619% *  0.0310% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.547, support = 4.22, residual support = 22.6:
          HB3   LEU   63 - QE    PHE   72   5.28 +/- 1.79  21.725% * 74.9357% (0.73   4.41  16.34) =  66.389%  kept
          QG1   VAL   70 - QE    PHE   72   3.33 +/- 0.79  32.472% * 19.4143% (0.18   4.74  45.40) =  25.708%  kept
          QG1   VAL   18 - QE    PHE   72   4.22 +/- 3.04  38.186% *  5.0424% (0.25   0.87   0.94) =   7.852%  kept
          QD1   LEU   40 - QE    PHE   72   5.60 +/- 0.99   7.139% *  0.1443% (0.31   0.02   0.02) =   0.042%
          QG1   VAL  108 - QE    PHE   72  14.04 +/- 1.80   0.478% *  0.4634% (0.99   0.02   0.02) =   0.009%
    Distance limit 4.24 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 = 0.866, support = 3.64, residual support = 20.3:
          QD1   LEU   63 - QE    PHE   72   4.79 +/- 1.39  28.180% * 43.1874% (0.98   4.08  16.34) =  46.520%  kept
          QD2   LEU   63 - QE    PHE   72   3.98 +/- 1.00  39.979% * 25.2125% (0.69   3.40  16.34) =  38.530%  kept
          QD1   LEU   73 - QE    PHE   72   7.03 +/- 0.92  12.519% * 30.9960% (0.98   2.93  42.98) =  14.832%  kept
          QG2   VAL   41 - QE    PHE   72   7.19 +/- 1.19   8.302% *  0.2020% (0.18   0.11   0.02) =   0.064%
          QD1   LEU  104 - QE    PHE   72   9.78 +/- 2.62   5.305% *  0.0969% (0.45   0.02   0.02) =   0.020%
          QD2   LEU  115 - QE    PHE   72   9.88 +/- 1.73   3.116% *  0.1569% (0.73   0.02   0.02) =   0.019%
          QD2   LEU   80 - QE    PHE   72  11.97 +/- 2.76   2.600% *  0.1484% (0.69   0.02   0.02) =   0.015%
    Distance limit 4.68 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 = 0.685, support = 5.01, residual support = 45.7:
          QB    ALA   64 - QE    PHE   72   2.29 +/- 0.39  68.249% * 97.4240% (0.69   5.06  46.06) =  99.039%  kept
          QG1   VAL   42 - QE    PHE   72   4.07 +/- 1.61  30.214% *  2.1247% (0.49   0.16   4.09) =   0.956%  kept
          QB    ALA   47 - QE    PHE   72  11.30 +/- 1.60   0.694% *  0.3402% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - QE    PHE   72  14.85 +/- 3.49   0.842% *  0.1110% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.61 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 = 5.32, residual support = 45.4:
        T QG2   VAL   70 - QE    PHE   72   2.96 +/- 0.54 100.000% *100.0000% (0.90 10.00   5.32  45.40) = 100.000%  kept
    Distance limit 4.21 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 = 0.646, support = 2.89, residual support = 45.9:
        T HA    ALA   64 - HZ    PHE   72   3.03 +/- 0.61  88.420% * 96.7577% (0.65 10.00   2.90  46.06) =  99.600%  kept
          QE    LYS+  66 - HZ    PHE   72   8.84 +/- 1.39  11.003% *  3.1173% (0.53  1.00   0.79   0.27) =   0.399%  kept
          HB3   ASN   35 - HZ    PHE   72  18.10 +/- 1.80   0.578% *  0.1249% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 5.03 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 = 0.928, support = 2.95, residual support = 39.4:
        T HB    VAL   70 - HZ    PHE   72   4.79 +/- 0.98  62.323% * 73.5404% (0.92 10.00   3.30  45.40) =  86.739%  kept
        T QG    GLN   17 - HZ    PHE   72   8.77 +/- 2.91  26.914% * 25.9188% (0.97 10.00   0.67   0.02) =  13.202%  kept
        T HB2   MET   96 - HZ    PHE   72  10.81 +/- 2.25   7.133% *  0.4191% (0.53 10.00   0.02   0.02) =   0.057%
          HB2   GLU-  25 - HZ    PHE   72  18.98 +/- 1.18   0.897% *  0.0795% (1.00  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HZ    PHE   72  17.46 +/- 1.65   1.300% *  0.0299% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  17.80 +/- 3.03   1.434% *  0.0123% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.458, support = 2.98, residual support = 26.5:
        T HB2   LEU   67 - HZ    PHE   72   4.43 +/- 1.06  40.350% * 81.5839% (0.45 10.00   3.07  27.86) =  95.036%  kept
          HG2   PRO   68 - HZ    PHE   72   9.04 +/- 1.82   9.707% * 11.2396% (0.80  1.00   1.54   0.50) =   3.150%  kept
          HB    VAL   18 - HZ    PHE   72   6.16 +/- 4.14  33.690% *  1.1881% (0.22  1.00   0.59   0.94) =   1.156%  kept
          HB    ILE   19 - HZ    PHE   72   9.57 +/- 1.17   4.009% *  4.4640% (0.73  1.00   0.68   0.11) =   0.517%  kept
          HB2   GLN   17 - HZ    PHE   72   9.89 +/- 2.75   3.958% *  1.0089% (0.18  1.00   0.63   0.02) =   0.115%  kept
          HB2   LEU  115 - HZ    PHE   72  13.89 +/- 3.01   2.829% *  0.1520% (0.84  1.00   0.02   0.02) =   0.012%
          HG3   PRO   58 - HZ    PHE   72  14.86 +/- 2.12   1.497% *  0.1578% (0.87  1.00   0.02   0.02) =   0.007%
          QB    GLU- 114 - HZ    PHE   72  15.87 +/- 2.60   1.375% *  0.1177% (0.65  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HZ    PHE   72  12.46 +/- 1.99   1.932% *  0.0319% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  19.30 +/- 1.40   0.653% *  0.0562% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.513, support = 2.43, residual support = 19.0:
          HB3   LEU   67 - HZ    PHE   72   4.34 +/- 0.88  42.636% * 35.7149% (0.38   3.03  27.86) =  67.091%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.65 +/- 1.90  15.020% * 37.9687% (0.90   1.35   1.24) =  25.127%  kept
          QG    LYS+  66 - HZ    PHE   72   6.94 +/- 1.35  18.212% *  5.5314% (0.22   0.79   0.27) =   4.438%  kept
          HG12  ILE   19 - HZ    PHE   72  10.04 +/- 1.85   3.836% * 17.6786% (0.84   0.67   0.11) =   2.988%  kept
          QB    ALA   61 - HZ    PHE   72   7.12 +/- 1.00  11.132% *  0.3300% (0.53   0.02   0.02) =   0.162%  kept
          HD3   LYS+ 121 - HZ    PHE   72  13.91 +/- 3.76   2.586% *  0.5790% (0.92   0.02   0.02) =   0.066%
          QB    LEU   98 - HZ    PHE   72  11.75 +/- 1.97   2.530% *  0.4057% (0.65   0.02   0.02) =   0.045%
          HB2   LEU   80 - HZ    PHE   72  15.72 +/- 2.58   1.100% *  0.6216% (0.99   0.02   0.02) =   0.030%
          HG    LEU   80 - HZ    PHE   72  16.51 +/- 3.83   1.356% *  0.4554% (0.73   0.02   0.02) =   0.027%
          QB    ALA  110 - HZ    PHE   72  17.12 +/- 2.57   0.762% *  0.4793% (0.76   0.02   0.02) =   0.016%
          QB    ALA   12 - HZ    PHE   72  16.39 +/- 2.31   0.828% *  0.2354% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.567, support = 2.94, residual support = 20.6:
        T QD1   LEU   67 - HZ    PHE   72   3.28 +/- 0.61  59.646% * 36.4881% (0.41 10.00   3.53  27.86) =  72.122%  kept
        T HB    VAL   75 - HZ    PHE   72   6.22 +/- 0.64  13.326% * 62.3751% (0.98 10.00   1.43   2.00) =  27.544%  kept
          HG3   LYS+  74 - HZ    PHE   72   7.88 +/- 2.29  12.844% *  0.5668% (0.22  1.00   0.57   1.24) =   0.241%  kept
        T QD1   ILE  119 - HZ    PHE   72   9.68 +/- 2.74   5.323% *  0.4670% (0.53 10.00   0.02   0.02) =   0.082%
          QD2   LEU   40 - HZ    PHE   72   8.36 +/- 1.32   4.978% *  0.0398% (0.45  1.00   0.02   0.02) =   0.007%
          QG2   ILE  103 - HZ    PHE   72  12.82 +/- 1.82   1.365% *  0.0274% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  14.18 +/- 3.22   1.614% *  0.0221% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  14.37 +/- 2.03   0.905% *  0.0137% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.793, support = 3.11, residual support = 22.8:
        T HB3   LEU   63 - HZ    PHE   72   5.29 +/- 2.23  31.597% * 68.0203% (0.95 10.00   3.30  16.34) =  72.716%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.86 +/- 0.98  26.206% * 26.9872% (0.38 10.00   2.75  45.40) =  23.928%  kept
          QG1   VAL   18 - HZ    PHE   72   5.24 +/- 3.35  37.097% *  2.4726% (0.49  1.00   1.41   0.94) =   3.103%  kept
          QD1   LEU   71 - HZ    PHE   72   9.00 +/- 0.74   3.035% *  2.4456% (0.20  1.00   3.44  19.16) =   0.251%  kept
          QG1   VAL  108 - HZ    PHE   72  15.88 +/- 2.20   0.592% *  0.0601% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HZ    PHE   72  12.53 +/- 2.80   1.472% *  0.0142% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.823, support = 2.65, residual support = 19.1:
          QD2   LEU   63 - HZ    PHE   72   4.15 +/- 1.42  45.805% * 29.8808% (0.69   2.96  16.34) =  52.920%  kept
          QD1   LEU   63 - HZ    PHE   72   5.12 +/- 1.77  28.613% * 32.7127% (0.98   2.27  16.34) =  36.191%  kept
          QD1   LEU   73 - HZ    PHE   72   8.89 +/- 0.93   7.599% * 36.2314% (0.98   2.51  42.98) =  10.646%  kept
          QG2   VAL   41 - HZ    PHE   72   8.75 +/- 1.35   7.133% *  0.6275% (0.18   0.24   0.02) =   0.173%  kept
          QD1   LEU  104 - HZ    PHE   72  11.48 +/- 3.05   5.819% *  0.1319% (0.45   0.02   0.02) =   0.030%
          QD2   LEU  115 - HZ    PHE   72  10.82 +/- 2.00   3.157% *  0.2136% (0.73   0.02   0.02) =   0.026%
          QD2   LEU   80 - HZ    PHE   72  14.08 +/- 2.72   1.874% *  0.2021% (0.69   0.02   0.02) =   0.015%
    Distance limit 5.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.62, residual support = 45.4:
        T QG2   VAL   70 - HZ    PHE   72   4.51 +/- 0.42 100.000% *100.0000% (0.90 10.00   4.62  45.40) = 100.000%  kept
    Distance limit 5.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.87, residual support = 70.6:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  70.62) = 100.000%  kept
    Distance limit 3.85 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 = 70.6:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  98.148% * 99.9913% (0.98  10.0   1.00  70.62) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.34 +/- 4.50   1.852% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 70.6:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  96.782% * 99.8601% (0.98  10.0 10.00   1.00  70.62) =  99.997%  kept
          QD    PHE   97 - HE3   TRP   87  10.27 +/- 2.53   2.288% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HE3   TRP   87  20.17 +/- 4.67   0.930% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 70.6:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  94.623% * 99.5607% (0.99  10.0   1.00  70.62) =  99.994%  kept
          HD21  ASN   28 - HH2   TRP   87  13.11 +/- 5.01   1.644% *  0.1969% (0.98   1.0   0.02   0.02) =   0.003%
          HN    ILE   56 - HH2   TRP   87  20.61 +/- 5.21   2.514% *  0.0620% (0.31   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HH2   TRP   87  14.84 +/- 3.57   0.838% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  17.42 +/- 2.29   0.380% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 70.6:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  87.306% * 99.7330% (0.90  10.0   1.00  70.62) =  99.998%  kept
          HN    PHE   59 - HZ2   TRP   87  19.22 +/- 3.92   0.909% *  0.0618% (0.28   1.0   0.02   0.02) =   0.001%
          HN    HIS  122 - HZ2   TRP   87  21.61 +/- 4.12   0.198% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   5.68 +/- 0.59   8.466% *  0.0027% (0.01   1.0   0.02  20.24) =   0.000%
          HH2   TRP   87 - HN    ILE   56  20.61 +/- 5.21   2.327% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  14.65 +/- 2.70   0.795% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.86, support = 0.743, residual support = 5.56:
          HZ2   TRP   27 - HZ2   TRP   87  10.12 +/- 7.56  41.649% * 97.8586% (0.87   0.75   5.61) =  98.985%  kept
          HZ    PHE   72 - HZ2   TRP   87  14.52 +/- 3.11  19.826% *  2.0080% (0.15   0.09   0.02) =   0.967%  kept
          HZ2   TRP   27 - HN    ILE   56  21.42 +/- 3.87  13.095% *  0.1133% (0.04   0.02   0.02) =   0.036%
          HZ    PHE   72 - HN    ILE   56  14.50 +/- 1.33  25.431% *  0.0201% (0.01   0.02   0.02) =   0.012%
    Distance limit 4.48 A violated in 10 structures by 4.98 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.697, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  12.42 +/- 2.60  23.410% * 10.8062% (0.49   0.02   0.02) =  19.404%  kept
          HD2   HIS   22 - HZ3   TRP   87  17.28 +/- 4.96  10.797% * 20.4937% (0.92   0.02   0.02) =  16.972%  kept
          HN    THR   23 - HZ3   TRP   87  15.05 +/- 5.10  18.171% * 11.6802% (0.53   0.02   0.02) =  16.280%  kept
          HD1   TRP   49 - HZ3   TRP   87  19.14 +/- 4.55   9.546% * 22.0041% (0.99   0.02   0.02) =  16.111%  kept
          HD21  ASN   35 - HZ3   TRP   87  18.89 +/- 6.44  16.397% * 11.6802% (0.53   0.02   0.02) =  14.691%  kept
          HN    LEU   67 - HZ3   TRP   87  18.28 +/- 2.55   8.578% * 19.9101% (0.90   0.02   0.02) =  13.100%  kept
          QD    PHE   55 - HZ3   TRP   87  19.68 +/- 5.55  13.101% *  3.4254% (0.15   0.02   0.02) =   3.442%  kept
    Distance limit 3.91 A violated in 18 structures by 5.46 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.72, residual support = 22.7:
          HN    ASP-  86 - HD1   TRP   87   3.73 +/- 0.27  95.814% * 97.7118% (0.38   3.72  22.69) =  99.966%  kept
          HN    GLU-  29 - HD1   TRP   87  18.27 +/- 5.47   1.637% *  1.1203% (0.80   0.02   0.02) =   0.020%
          HN    GLN   30 - HD1   TRP   87  17.65 +/- 5.19   1.778% *  0.4318% (0.31   0.02   0.02) =   0.008%
          HN    VAL   18 - HD1   TRP   87  19.87 +/- 3.55   0.771% *  0.7361% (0.53   0.02   0.02) =   0.006%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.75:
          QD1   LEU   31 - HH2   TRP   87   9.37 +/- 5.95 100.000% *100.0000% (0.80   0.75   1.75) = 100.000%  kept
    Distance limit 5.12 A violated in 10 structures by 4.85 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.561, support = 1.35, residual support = 1.44:
          QD2   LEU   98 - HH2   TRP   87   8.03 +/- 5.24  28.567% * 50.1150% (0.53  1.00   1.76   2.08) =  65.794%  kept
          QG2   VAL   41 - HH2   TRP   87   9.49 +/- 4.97  17.508% * 26.6387% (0.73  1.00   0.68   0.35) =  21.434%  kept
          QD1   LEU   73 - HH2   TRP   87   9.63 +/- 2.98  15.512% *  8.9328% (0.45  1.00   0.37   0.02) =   6.368%  kept
          QD1   LEU   80 - HH2   TRP   87  10.13 +/- 1.71  10.523% * 10.7108% (0.53  1.00   0.38   0.02) =   5.180%  kept
        T QD2   LEU  115 - HH2   TRP   87  15.16 +/- 3.26  10.362% *  1.8924% (0.18 10.00   0.02   0.02) =   0.901%  kept
          QD2   LEU   63 - HH2   TRP   87  14.18 +/- 3.24   3.036% *  1.0592% (0.98  1.00   0.02   0.02) =   0.148%  kept
          QD1   LEU   63 - HH2   TRP   87  14.12 +/- 3.39   4.405% *  0.4845% (0.45  1.00   0.02   0.02) =   0.098%
          QD2   LEU   80 - HH2   TRP   87   9.82 +/- 1.63  10.088% *  0.1667% (0.15  1.00   0.02   0.02) =   0.077%
    Distance limit 4.96 A violated in 3 structures by 0.68 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.759, support = 0.737, residual support = 2.04:
          QD1   LEU   98 - HH2   TRP   87   8.32 +/- 5.44  42.615% * 94.3481% (0.76   0.75   2.08) =  98.281%  kept
          QD1   ILE   19 - HH2   TRP   87  13.93 +/- 3.05  13.259% *  1.8639% (0.57   0.02   0.02) =   0.604%  kept
          QD2   LEU  104 - HH2   TRP   87  12.65 +/- 4.28   8.307% *  2.3906% (0.73   0.02   0.02) =   0.485%  kept
          QG2   THR   46 - HH2   TRP   87  12.63 +/- 2.50  20.942% *  0.8209% (0.25   0.02   0.02) =   0.420%  kept
          QG2   VAL   18 - HH2   TRP   87  13.75 +/- 2.92  14.877% *  0.5766% (0.18   0.02   0.02) =   0.210%  kept
    Distance limit 4.51 A violated in 6 structures by 1.70 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 70.6:
      O T HB2   TRP   87 - HE3   TRP   87   2.48 +/- 0.28  99.129% * 99.0099% (1.00  10.0 10.00   3.23  70.62) =  99.991%  kept
        T HB2   PHE   60 - HE3   TRP   87  16.34 +/- 3.52   0.871% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.009%
    Distance limit 4.85 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 = 0.939, support = 0.409, residual support = 0.422:
        T QD1   ILE  103 - HE3   TRP   87   7.97 +/- 5.25  33.692% * 97.1996% (0.95 10.00   0.41   0.42) =  98.927%  kept
          QG2   ILE  103 - HE3   TRP   87   9.12 +/- 4.16  15.967% *  1.4967% (0.28  1.00   0.22   0.42) =   0.722%  kept
          QG2   ILE  119 - HE3   TRP   87  17.05 +/- 2.04   7.904% *  0.4984% (1.00  1.00   0.02   0.02) =   0.119%  kept
          QD2   LEU   71 - HE3   TRP   87  15.30 +/- 2.33   7.095% *  0.4323% (0.87  1.00   0.02   0.02) =   0.093%
          HG3   LYS+  74 - HE3   TRP   87  15.68 +/- 3.13  14.355% *  0.1871% (0.38  1.00   0.02   0.02) =   0.081%
          QD2   LEU   40 - HE3   TRP   87  12.24 +/- 3.08  12.881% *  0.0873% (0.18  1.00   0.02   0.02) =   0.034%
          QD1   LEU   67 - HE3   TRP   87  14.14 +/- 2.15   8.105% *  0.0986% (0.20  1.00   0.02   0.02) =   0.024%
    Distance limit 5.04 A violated in 7 structures by 2.56 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 70.6:
          HA    TRP   87 - HD1   TRP   87   4.19 +/- 0.33  94.479% * 99.0825% (0.80   4.13  70.62) =  99.980%  kept
          HA    PHE   59 - HD1   TRP   87  18.28 +/- 2.68   2.293% *  0.5786% (0.97   0.02   0.02) =   0.014%
          HA    ASP- 113 - HD1   TRP   87  20.33 +/- 3.97   1.418% *  0.2465% (0.41   0.02   0.02) =   0.004%
          HA    LYS+  99 - HD1   TRP   87  17.74 +/- 3.71   1.809% *  0.0925% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 17.0:
        T HA    VAL   83 - HD1   TRP   87   4.07 +/- 0.31  80.172% * 95.9068% (0.41 10.00   4.31  17.03) =  99.907%  kept
        T HA    VAL   24 - HD1   TRP   87  14.16 +/- 5.29   4.308% *  0.8755% (0.38 10.00   0.02   0.02) =   0.049%
        T HA    LYS+  38 - HD1   TRP   87  22.44 +/- 4.43   0.630% *  2.0922% (0.90 10.00   0.02   0.02) =   0.017%
          HD2   PRO   58 - HD1   TRP   87  19.82 +/- 4.63  13.971% *  0.0796% (0.34  1.00   0.02   0.02) =   0.014%
        T HA    GLU- 100 - HD1   TRP   87  20.00 +/- 3.95   0.919% *  1.0459% (0.45 10.00   0.02   0.02) =   0.012%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 70.6:
      O   HB2   TRP   87 - HD1   TRP   87   3.85 +/- 0.18  97.378% * 99.0099% (1.00  10.0  1.00   3.94  70.62) =  99.973%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.18 +/- 3.89   2.622% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.027%
    Distance limit 4.89 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 = 22.7:
        T HB2   ASP-  86 - HD1   TRP   87   3.26 +/- 0.31  89.911% * 98.2033% (1.00 10.00   3.60  22.69) =  99.981%  kept
        T HB2   ASN   28 - HD1   TRP   87  17.78 +/- 5.93   1.212% *  0.8221% (0.84 10.00   0.02   0.02) =   0.011%
        T HB2   ASN   35 - HD1   TRP   87  23.35 +/- 5.52   0.392% *  0.7881% (0.80 10.00   0.02   0.02) =   0.003%
          QE    LYS+  65 - HD1   TRP   87  16.45 +/- 3.88   1.852% *  0.0931% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD1   TRP   87  11.88 +/- 2.09   6.070% *  0.0219% (0.22  1.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD1   TRP   87  20.06 +/- 4.34   0.563% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 3.8, residual support = 70.6:
      O   HB3   TRP   87 - HD1   TRP   87   2.88 +/- 0.24  92.769% * 99.2543% (0.25  10.0   3.80  70.62) =  99.984%  kept
          HG3   MET   96 - HD1   TRP   87   9.89 +/- 3.86   5.625% *  0.2254% (0.57   1.0   0.02   0.02) =   0.014%
          HG3   GLN  116 - HD1   TRP   87  20.44 +/- 3.83   0.609% *  0.1229% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HD1   TRP   87  18.21 +/- 2.89   0.838% *  0.0788% (0.20   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  26.05 +/- 4.81   0.159% *  0.3187% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 4.22 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 = 0.879, support = 3.68, residual support = 17.1:
        T QG2   VAL   83 - HD1   TRP   87   2.61 +/- 0.62  58.308% * 87.4528% (0.90 10.00   3.66  17.03) =  93.026%  kept
          QD1   ILE   89 - HD1   TRP   87   4.15 +/- 1.13  30.703% * 12.4418% (0.65  1.00   3.94  17.85) =   6.969%  kept
          QG2   VAL   43 - HD1   TRP   87   7.33 +/- 2.86   9.635% *  0.0132% (0.14  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HD1   TRP   87  12.82 +/- 4.94   1.354% *  0.0922% (0.95  1.00   0.02   1.75) =   0.002%
    Distance limit 3.76 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 = 0.916, support = 1.1, residual support = 17.7:
        T QG2   ILE   89 - HD1   TRP   87   4.45 +/- 0.23  40.599% * 89.9108% (0.95 10.00   1.03  17.85) =  86.244%  kept
          QG1   VAL   83 - HD1   TRP   87   3.91 +/- 0.69  57.995% * 10.0380% (0.73  1.00   1.50  17.03) =  13.754%  kept
          QD1   LEU  104 - HD1   TRP   87  14.95 +/- 2.43   1.405% *  0.0512% (0.28  1.00   0.02   0.02) =   0.002%
    Distance limit 5.03 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 = 0.586, support = 0.622, residual support = 1.18:
          QD2   LEU   98 - HZ2   TRP   87   9.05 +/- 4.81  12.771% * 45.8470% (0.53   0.75   2.08) =  49.192%  kept
          QG2   VAL   41 - HZ2   TRP   87  10.29 +/- 5.02  12.221% * 41.6931% (0.73   0.49   0.35) =  42.808%  kept
          QD2   LEU   80 - HZ2   TRP   87   7.85 +/- 1.63   9.383% *  4.7769% (0.15   0.27   0.02) =   3.766%  kept
          QD2   LEU  115 - HN    ILE   56   6.18 +/- 1.79  18.833% *  1.3078% (0.01   1.48   0.11) =   2.069%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.15 +/- 1.69   9.031% *  1.2226% (0.53   0.02   0.02) =   0.928%  kept
          QD1   LEU   73 - HZ2   TRP   87   9.48 +/- 3.12   5.349% *  1.0418% (0.45   0.02   0.02) =   0.468%  kept
          QD2   LEU   63 - HZ2   TRP   87  14.27 +/- 3.11   1.416% *  2.2778% (0.98   0.02   0.02) =   0.271%  kept
          QD2   LEU  115 - HZ2   TRP   87  15.12 +/- 3.44   6.958% *  0.4070% (0.18   0.02   0.02) =   0.238%  kept
          QD1   LEU   63 - HZ2   TRP   87  14.17 +/- 3.38   1.813% *  1.0418% (0.45   0.02   0.02) =   0.159%  kept
          QD2   LEU   63 - HN    ILE   56  10.29 +/- 1.64   4.550% *  0.0989% (0.04   0.02   0.02) =   0.038%
          QD1   LEU   63 - HN    ILE   56   8.92 +/- 1.80   8.269% *  0.0452% (0.02   0.02   0.02) =   0.031%
          QD1   LEU   73 - HN    ILE   56  16.42 +/- 3.32   3.370% *  0.0452% (0.02   0.02   0.02) =   0.013%
          QD1   LEU   80 - HN    ILE   56  17.42 +/- 3.41   1.594% *  0.0531% (0.02   0.02   0.02) =   0.007%
          QG2   VAL   41 - HN    ILE   56  18.16 +/- 1.89   0.826% *  0.0732% (0.03   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ILE   56  17.80 +/- 2.24   0.855% *  0.0531% (0.02   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    ILE   56  17.58 +/- 4.06   2.761% *  0.0156% (0.01   0.02   0.02) =   0.004%
    Distance limit 5.28 A violated in 0 structures by 0.17 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.182, support = 0.68, residual support = 1.59:
          QD1   LEU   31 - HZ2   TRP   87   9.78 +/- 6.68  32.423% * 92.4210% (0.15   0.75   1.75) =  90.353%  kept
          QG2   VAL   43 - HZ2   TRP   87   6.97 +/- 3.55  43.941% *  7.1612% (0.45   0.02   0.02) =   9.488%  kept
          QG2   VAL   43 - HN    ILE   56  14.64 +/- 1.87  13.548% *  0.3108% (0.02   0.02   0.02) =   0.127%  kept
          QD1   LEU   31 - HN    ILE   56  19.28 +/- 3.15  10.088% *  0.1070% (0.01   0.02   0.02) =   0.033%
    Distance limit 4.94 A violated in 9 structures by 2.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.755, support = 2.63, residual support = 54.2:
          HA    TRP   49 - HE3   TRP   49   4.53 +/- 0.42  45.300% * 52.0634% (0.69   3.21  85.99) =  60.579%  kept
          HA    CYS   50 - HE3   TRP   49   5.07 +/- 1.25  38.535% * 37.3648% (0.87   1.82   4.62) =  36.983%  kept
          HA    ALA   47 - HE3   TRP   49   7.61 +/- 0.94   9.731% *  9.5481% (0.76   0.53  16.04) =   2.386%  kept
          HA1   GLY  109 - HE3   TRP   49  16.91 +/- 4.68   2.802% *  0.3946% (0.84   0.02   0.02) =   0.028%
          HA    VAL  108 - HE3   TRP   49  16.63 +/- 3.69   2.480% *  0.3056% (0.65   0.02   0.02) =   0.019%
          HA    CYS   21 - HE3   TRP   49  22.94 +/- 2.27   0.398% *  0.2300% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HE3   TRP   49  28.30 +/- 4.92   0.753% *  0.0935% (0.20   0.02   0.02) =   0.002%
    Distance limit 5.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 3.58, residual support = 85.9:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  79.571% * 98.2357% (1.00   3.59  85.99) =  99.924%  kept
          QE    PHE   95 - HE3   TRP   49  12.51 +/- 3.05  12.506% *  0.2060% (0.38   0.02   0.02) =   0.033%
          HN    LEU   67 - HE3   TRP   49  20.46 +/- 5.32   5.332% *  0.4395% (0.80   0.02   0.02) =   0.030%
          HD2   HIS   22 - HE3   TRP   49  23.08 +/- 3.44   1.072% *  0.5380% (0.98   0.02   0.02) =   0.007%
          HN    THR   23 - HE3   TRP   49  22.72 +/- 1.94   0.952% *  0.2257% (0.41   0.02   0.02) =   0.003%
          HD21  ASN   35 - HE3   TRP   49  33.36 +/- 4.61   0.567% *  0.3551% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.36 A violated in 0 structures by 0.72 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.792, support = 0.02, residual support = 44.2:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  44.643% * 16.7579% (0.84   0.02  85.99) =  51.338%  kept
          QE    PHE   95 - HH2   TRP   49  10.99 +/- 3.32  19.878% * 15.3326% (0.76   0.02   0.02) =  20.915%  kept
          HN    LEU   67 - HH2   TRP   49  20.08 +/- 5.47  10.857% * 20.0629% (1.00   0.02   0.02) =  14.947%  kept
          QD    PHE   55 - HH2   TRP   49   9.77 +/- 2.88  20.178% *  6.8436% (0.34   0.02   0.02) =   9.476%  kept
          HN    THR   23 - HH2   TRP   49  22.58 +/- 2.37   1.237% * 16.0651% (0.80   0.02   0.02) =   1.363%  kept
          HD2   HIS   22 - HH2   TRP   49  23.22 +/- 3.35   1.302% * 13.7814% (0.69   0.02   0.02) =   1.231%  kept
          HE3   TRP   27 - HH2   TRP   49  22.28 +/- 3.14   1.345% *  5.5782% (0.28   0.02   0.02) =   0.515%  kept
          HD21  ASN   35 - HH2   TRP   49  32.30 +/- 4.44   0.562% *  5.5782% (0.28   0.02   0.02) =   0.215%  kept
    Distance limit 4.27 A violated in 17 structures by 1.91 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.739, support = 4.14, residual support = 57.5:
          HA    TRP   49 - HD1   TRP   49   4.06 +/- 0.40  43.704% * 45.4577% (0.69   5.00  85.99) =  62.967%  kept
          HA    CYS   50 - HD1   TRP   49   5.91 +/- 0.89  17.242% * 41.1309% (0.87   3.58   4.62) =  22.477%  kept
          HA    ALA   47 - HD1   TRP   49   4.43 +/- 0.58  35.735% * 12.8374% (0.76   1.27  16.04) =  14.540%  kept
          HA1   GLY  109 - HD1   TRP   49  16.83 +/- 3.65   0.964% *  0.2212% (0.84   0.02   0.02) =   0.007%
          HA    VAL  108 - HD1   TRP   49  15.88 +/- 2.93   1.206% *  0.1714% (0.65   0.02   0.02) =   0.007%
          HA    CYS   21 - HD1   TRP   49  20.53 +/- 3.18   0.383% *  0.1289% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD1   TRP   49  26.48 +/- 4.80   0.766% *  0.0524% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 3.85, residual support = 73.4:
          HN    PHE   95 - QD    PHE   95   3.27 +/- 0.72 100.000% *100.0000% (0.61   3.85  73.42) = 100.000%  kept
    Distance limit 4.78 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 = 73.4:
        T HA    PHE   95 - QD    PHE   95   2.54 +/- 0.59 100.000% *100.0000% (0.98 10.00   3.44  73.42) = 100.000%  kept
    Distance limit 4.82 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 = 0.895, support = 1.91, residual support = 4.17:
          HA    ASP-  44 - QD    PHE   95   4.00 +/- 2.34  48.694% * 92.9425% (0.90   1.92   4.20) =  99.277%  kept
          HA    SER   85 - QD    PHE   95  13.14 +/- 2.45  11.687% *  0.8997% (0.84   0.02   0.02) =   0.231%  kept
          HA    ILE  103 - QD    PHE   95  10.60 +/- 1.33   9.380% *  0.7822% (0.73   0.02   0.02) =   0.161%  kept
          HB    THR   77 - QD    PHE   95  10.20 +/- 1.55   7.861% *  0.8997% (0.84   0.02   0.02) =   0.155%  kept
          HA    LEU  104 - QD    PHE   95  11.32 +/- 1.33   7.342% *  0.2995% (0.28   0.02   0.02) =   0.048%
          HA    ASP-  86 - QD    PHE   95  14.57 +/- 1.73   2.331% *  0.7822% (0.73   0.02   0.02) =   0.040%
          HA1   GLY   51 - QD    PHE   95  13.69 +/- 1.97   7.147% *  0.2132% (0.20   0.02   0.02) =   0.033%
          HA    GLU-  79 - QD    PHE   95  14.30 +/- 2.19   2.445% *  0.3674% (0.34   0.02   0.02) =   0.020%
          HA    THR   39 - QD    PHE   95  15.88 +/- 2.38   1.808% *  0.2995% (0.28   0.02   0.02) =   0.012%
          HA    GLU-  14 - QD    PHE   95  21.46 +/- 2.82   0.630% *  0.6968% (0.65   0.02   0.02) =   0.010%
          HA    ALA   12 - QD    PHE   95  25.31 +/- 2.69   0.372% *  0.8232% (0.76   0.02   0.02) =   0.007%
          HA    MET   11 - QD    PHE   95  26.98 +/- 3.71   0.303% *  0.9943% (0.92   0.02   0.02) =   0.007%
    Distance limit 4.76 A violated in 3 structures by 0.45 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.4:
      O T HB2   PHE   95 - QD    PHE   95   2.41 +/- 0.15 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.42) = 100.000%  kept
    Distance limit 4.31 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 = 73.3:
      O T HB3   PHE   95 - QD    PHE   95   2.61 +/- 0.16  95.018% * 96.3284% (0.99  10.0 10.00   3.31  73.42) =  99.810%  kept
          HG2   GLN  116 - QD    PHE   95   8.44 +/- 1.27   4.773% *  3.6446% (1.00   1.0  1.00   0.75   0.02) =   0.190%  kept
          HG2   GLU-  25 - QD    PHE   95  20.91 +/- 2.13   0.209% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.919, support = 3.69, residual support = 45.7:
        T HB    VAL  107 - QD    PHE   95   2.82 +/- 0.66  68.115% * 94.7508% (0.92 10.00   3.72  46.22) =  98.861%  kept
          HB3   PHE   45 - QD    PHE   95   6.38 +/- 0.92  13.242% *  2.8739% (0.53  1.00   1.06   1.89) =   0.583%  kept
          QE    LYS+ 112 - QD    PHE   95   7.16 +/- 2.39  16.183% *  2.2355% (0.53  1.00   0.83   3.16) =   0.554%  kept
          QG    GLU-  79 - QD    PHE   95  12.51 +/- 2.24   2.134% *  0.0540% (0.53  1.00   0.02   0.02) =   0.002%
          QG    GLN   32 - QD    PHE   95  18.68 +/- 1.69   0.327% *  0.0857% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.713, support = 0.728, residual support = 2.29:
          HB3   ASP-  44 - QD    PHE   95   4.88 +/- 2.90  26.217% * 24.1722% (0.76   0.75   4.20) =  49.438%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.28 +/- 1.48  12.036% * 23.9929% (0.61   0.94   0.20) =  22.529%  kept
          HB3   PRO   93 - QD    PHE   95   6.02 +/- 1.49  13.318% * 10.0022% (1.00   0.24   0.02) =  10.391%  kept
          HB2   LEU   63 - QD    PHE   95   8.01 +/- 2.36   5.386% * 21.8463% (0.65   0.80   1.17) =   9.179%  kept
          HB    VAL   42 - QD    PHE   95   7.94 +/- 2.07   8.049% *  9.7624% (0.31   0.75   0.80) =   6.130%  kept
          HG    LEU   98 - QD    PHE   95  10.05 +/- 1.69   2.178% *  5.0031% (0.97   0.12   0.02) =   0.850%  kept
          QB    ALA   84 - QD    PHE   95   9.69 +/- 1.87   7.681% *  0.8416% (1.00   0.02   0.02) =   0.504%  kept
          HG3   LYS+  65 - QD    PHE   95  11.23 +/- 2.89   3.408% *  1.3181% (0.31   0.10   0.02) =   0.350%  kept
          HB2   LYS+ 112 - QD    PHE   95   7.90 +/- 2.20   9.826% *  0.4106% (0.49   0.02   3.16) =   0.315%  kept
          HB3   LEU   73 - QD    PHE   95  11.33 +/- 3.00   7.138% *  0.3166% (0.38   0.02   0.02) =   0.176%  kept
          HG2   LYS+ 111 - QD    PHE   95  10.25 +/- 1.72   2.037% *  0.2603% (0.31   0.02   0.02) =   0.041%
          QB    ALA  124 - QD    PHE   95  14.77 +/- 1.58   0.592% *  0.7564% (0.90   0.02   0.02) =   0.035%
          HB3   LEU   80 - QD    PHE   95  13.61 +/- 2.43   0.810% *  0.4438% (0.53   0.02   0.02) =   0.028%
          HG3   LYS+ 102 - QD    PHE   95  16.00 +/- 1.52   0.534% *  0.3468% (0.41   0.02   0.02) =   0.014%
          HB2   LEU   31 - QD    PHE   95  16.25 +/- 1.96   0.484% *  0.3166% (0.38   0.02   0.02) =   0.012%
          HG3   LYS+  33 - QD    PHE   95  18.14 +/- 2.37   0.305% *  0.2103% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.76 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 = 0.99, support = 4.41, residual support = 46.2:
        T QG2   VAL  107 - QD    PHE   95   2.41 +/- 0.55  90.425% * 98.5971% (0.99 10.00   4.41  46.22) =  99.931%  kept
          HG13  ILE  103 - QD    PHE   95   9.83 +/- 1.55   4.618% *  1.2681% (0.80  1.00   0.32   0.02) =   0.066%
          QB    ALA   20 - QD    PHE   95  12.59 +/- 2.49   3.281% *  0.0484% (0.49  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QD    PHE   95  11.46 +/- 2.33   1.676% *  0.0863% (0.87  1.00   0.02   0.02) =   0.002%
    Distance limit 4.29 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 = 0.981, support = 1.5, residual support = 8.27:
        T QD2   LEU  115 - QD    PHE   95   4.28 +/- 1.00  38.868% * 90.3288% (0.99 10.00   1.51   8.75) =  93.692%  kept
          QD1   LEU   63 - QD    PHE   95   6.63 +/- 3.12  28.276% *  7.4489% (0.90  1.00   1.38   1.17) =   5.621%  kept
          QD2   LEU   63 - QD    PHE   95   7.16 +/- 2.43  14.513% *  1.5629% (0.31  1.00   0.84   1.17) =   0.605%  kept
          QD1   LEU  104 - QD    PHE   95   9.33 +/- 1.35   4.431% *  0.3882% (0.84  1.00   0.08   0.02) =   0.046%
          QD1   LEU   73 - QD    PHE   95  10.25 +/- 2.14   9.436% *  0.1079% (0.90  1.00   0.02   0.02) =   0.027%
          QD2   LEU   80 - QD    PHE   95  12.86 +/- 2.29   2.027% *  0.1180% (0.98  1.00   0.02   0.02) =   0.006%
          QG1   VAL   83 - QD    PHE   95  11.47 +/- 1.59   2.448% *  0.0452% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 4.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 0.78, residual support = 0.603:
        T QG1   VAL   42 - QD    PHE   95   4.96 +/- 1.68  43.123% * 41.7195% (0.65 10.00   0.75   0.80) =  62.854%  kept
        T QB    ALA   47 - QD    PHE   95   8.39 +/- 1.59  18.360% * 54.9640% (0.76 10.00   0.84   0.27) =  35.256%  kept
          QB    ALA   64 - QD    PHE   95   7.45 +/- 1.55  16.212% *  3.2634% (0.53  1.00   0.72   0.25) =   1.848%  kept
          HG2   LYS+ 112 - QD    PHE   95   7.86 +/- 2.55  22.305% *  0.0531% (0.31  1.00   0.02   3.16) =   0.041%
    Distance limit 4.62 A violated in 1 structures by 0.28 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 4.65, residual support = 14.9:
          HA    ILE  119 - HD2   HIS  122   2.50 +/- 0.77  75.492% * 59.1176% (0.73   4.75  16.87) =  83.779%  kept
          HA    THR  118 - HD2   HIS  122   5.06 +/- 0.47  21.532% * 40.1119% (0.57   4.13   4.77) =  16.214%  kept
          HD3   PRO   58 - HD2   HIS  122  11.01 +/- 2.70   1.439% *  0.1058% (0.31   0.02   0.02) =   0.003%
          HA    VAL   75 - HD2   HIS  122  16.38 +/- 2.77   0.594% *  0.1941% (0.57   0.02   0.02) =   0.002%
          HA2   GLY  109 - HD2   HIS  122  16.06 +/- 2.28   0.518% *  0.0953% (0.28   0.02   0.02) =   0.001%
          HA    ALA   84 - HD2   HIS  122  20.06 +/- 2.78   0.254% *  0.1537% (0.45   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  22.29 +/- 3.21   0.171% *  0.2217% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.86 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 = 3.58, residual support = 71.0:
      O T HB2   HIS  122 - HD2   HIS  122   3.72 +/- 0.40  94.339% * 99.7225% (0.49  10.0 10.00   3.58  71.03) =  99.994%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.56 +/- 0.96   2.892% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB    THR   46 - HD2   HIS  122  15.79 +/- 2.36   1.981% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - HD2   HIS  122  23.64 +/- 4.43   0.789% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 0.945, support = 4.29, residual support = 69.9:
      O T HB3   HIS  122 - HD2   HIS  122   3.09 +/- 0.45  67.309% * 85.8681% (0.97  10.0 10.00   4.27  71.03) =  92.757%  kept
          QE    LYS+ 121 - HD2   HIS  122   4.78 +/- 1.12  32.092% * 14.0617% (0.69   1.0  1.00   4.60  55.33) =   7.242%  kept
          HB3   ASP-  78 - HD2   HIS  122  22.37 +/- 3.69   0.285% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD2   HIS  122  20.15 +/- 3.57   0.314% *  0.0198% (0.22   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 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.577, support = 0.0737, residual support = 0.02:
          HB3   ASP- 105 - HD2   HIS  122   9.91 +/- 6.02  25.097% * 12.3087% (0.34   0.09   0.02) =  34.456%  kept
          QB    LYS+ 106 - HD2   HIS  122  11.88 +/- 3.63   7.624% * 33.1172% (0.65   0.13   0.02) =  28.162%  kept
          HB    ILE   56 - HD2   HIS  122  10.44 +/- 2.77  15.290% *  7.9540% (0.98   0.02   0.02) =  13.565%  kept
          HB3   PRO   58 - HD2   HIS  122  10.37 +/- 3.28  16.819% *  4.9218% (0.61   0.02   0.02) =   9.233%  kept
          HB2   MET   92 - HD2   HIS  122  18.23 +/- 2.78   4.674% *  6.4977% (0.80   0.02   0.02) =   3.387%  kept
          HG3   PRO   68 - HD2   HIS  122  13.13 +/- 4.62  14.666% *  2.0234% (0.25   0.02   0.02) =   3.310%  kept
          HB3   LYS+  38 - HD2   HIS  122  19.36 +/- 3.79   1.895% *  8.0966% (1.00   0.02   0.02) =   1.711%  kept
          HB3   GLN   30 - HD2   HIS  122  19.40 +/- 3.18   1.900% *  7.4908% (0.92   0.02   0.02) =   1.587%  kept
          QB    LYS+  81 - HD2   HIS  122  22.06 +/- 3.58   2.498% *  4.9218% (0.61   0.02   0.02) =   1.371%  kept
          QB    LYS+  33 - HD2   HIS  122  19.30 +/- 3.95   2.511% *  3.6380% (0.45   0.02   0.02) =   1.019%  kept
          HB    ILE  103 - HD2   HIS  122  16.10 +/- 5.09   3.322% *  2.2562% (0.28   0.02   0.02) =   0.836%  kept
          HB3   GLN   90 - HD2   HIS  122  21.16 +/- 2.29   1.660% *  4.2693% (0.53   0.02   0.02) =   0.791%  kept
          HG2   ARG+  54 - HD2   HIS  122  17.81 +/- 2.82   2.044% *  2.5046% (0.31   0.02   0.02) =   0.571%  kept
    Distance limit 4.89 A violated in 7 structures by 1.17 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.897, support = 6.1, residual support = 53.8:
          HB2   LYS+ 121 - HD2   HIS  122   3.38 +/- 0.47  75.160% * 69.3649% (0.92   6.21  55.33) =  93.460%  kept
          HB2   LEU  123 - HD2   HIS  122   6.57 +/- 0.44  12.371% * 29.3619% (0.53   4.61  31.61) =   6.511%  kept
          QD    LYS+  65 - HD2   HIS  122  13.14 +/- 2.27   2.277% *  0.2290% (0.95   0.02   0.02) =   0.009%
          QD    LYS+ 102 - HD2   HIS  122  18.04 +/- 5.25   1.201% *  0.1850% (0.76   0.02   0.02) =   0.004%
          QD    LYS+  38 - HD2   HIS  122  17.63 +/- 3.06   0.802% *  0.2415% (1.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - HD2   HIS  122  15.06 +/- 2.87   1.291% *  0.1370% (0.57   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HD2   HIS  122  16.59 +/- 3.78   1.547% *  0.0908% (0.38   0.02   0.02) =   0.003%
          HB    VAL   83 - HD2   HIS  122  22.16 +/- 3.62   0.485% *  0.2373% (0.98   0.02   0.02) =   0.002%
          QB    ALA   57 - HD2   HIS  122  11.30 +/- 2.29   2.793% *  0.0373% (0.15   0.02   0.02) =   0.002%
          HB3   MET   92 - HD2   HIS  122  17.14 +/- 2.83   1.395% *  0.0479% (0.20   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HD2   HIS  122  17.56 +/- 1.18   0.679% *  0.0673% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.752, support = 5.01, residual support = 55.2:
          HB3   LYS+ 121 - HD2   HIS  122   4.69 +/- 0.71  34.434% * 70.2463% (1.00   4.80  55.33) =  62.415%  kept
          HD2   LYS+ 121 - HD2   HIS  122   3.74 +/- 1.10  53.955% * 26.8858% (0.34   5.37  55.33) =  37.431%  kept
          HG    LEU  104 - HD2   HIS  122  13.74 +/- 6.02   2.224% *  1.8471% (1.00   0.13   0.02) =   0.106%  kept
          QD    LYS+  66 - HD2   HIS  122  12.00 +/- 3.80   4.581% *  0.2131% (0.73   0.02   0.02) =   0.025%
          HD3   LYS+  74 - HD2   HIS  122  17.16 +/- 4.14   1.622% *  0.2776% (0.95   0.02   0.02) =   0.012%
          HB3   LYS+ 111 - HD2   HIS  122  15.27 +/- 1.49   0.849% *  0.2832% (0.97   0.02   0.02) =   0.006%
          HG2   LYS+  65 - HD2   HIS  122  14.06 +/- 2.07   1.328% *  0.0816% (0.28   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HD2   HIS  122  20.44 +/- 3.89   0.475% *  0.1001% (0.34   0.02   0.02) =   0.001%
          QG2   THR   26 - HD2   HIS  122  18.48 +/- 2.98   0.532% *  0.0653% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.262, support = 3.19, residual support = 15.0:
          QG2   ILE  119 - HD2   HIS  122   4.11 +/- 0.89  42.894% * 66.2377% (0.18  1.00   3.58  16.87) =  88.845%  kept
          QD1   LEU   67 - HD2   HIS  122   9.21 +/- 4.50  20.035% * 14.2117% (1.00  1.00   0.13   0.02) =   8.904%  kept
          QD2   LEU   40 - HD2   HIS  122   9.60 +/- 4.18  17.821% *  2.1151% (1.00  1.00   0.02   0.34) =   1.179%  kept
        T HB    VAL   75 - HD2   HIS  122  14.22 +/- 2.47   1.074% * 11.9749% (0.57 10.00   0.02   0.02) =   0.402%  kept
          QD2   LEU   71 - HD2   HIS  122  12.68 +/- 4.36  11.286% *  0.8696% (0.41  1.00   0.02   0.02) =   0.307%  kept
          QG2   ILE  103 - HD2   HIS  122  11.71 +/- 4.22   3.684% *  2.0413% (0.97  1.00   0.02   0.02) =   0.235%  kept
          HG3   LYS+  74 - HD2   HIS  122  17.14 +/- 3.86   1.628% *  1.8969% (0.90  1.00   0.02   0.02) =   0.097%
          QD1   ILE  103 - HD2   HIS  122  13.74 +/- 3.66   1.578% *  0.6528% (0.31  1.00   0.02   0.02) =   0.032%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.49, support = 4.44, residual support = 31.2:
          QD1   LEU  123 - HD2   HIS  122   4.75 +/- 1.23  41.690% * 52.0441% (0.49   4.60  31.61) =  82.320%  kept
          QD2   LEU  123 - HD2   HIS  122   7.13 +/- 0.67   9.558% * 45.0571% (0.49   3.98  31.61) =  16.340%  kept
          HB3   LEU  104 - HD2   HIS  122  12.64 +/- 6.71  11.996% *  2.4510% (0.84   0.13   0.02) =   1.116%  kept
          QD1   LEU   71 - HD2   HIS  122  13.19 +/- 4.75  13.461% *  0.2264% (0.49   0.02   0.02) =   0.116%  kept
          QG1   VAL   70 - HD2   HIS  122   8.65 +/- 3.69  19.589% *  0.1293% (0.28   0.02   0.02) =   0.096%
          QG1   VAL   18 - HD2   HIS  122  12.96 +/- 4.09   3.706% *  0.0920% (0.20   0.02   0.02) =   0.013%
    Distance limit 4.98 A violated in 1 structures by 0.12 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.37, residual support = 4.77:
        T QG2   THR  118 - HD2   HIS  122   3.46 +/- 0.20 100.000% *100.0000% (0.69 10.00   1.37   4.77) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.05 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 = 0.876, support = 1.31, residual support = 18.9:
          HB3   LEU   73 - HE3   TRP   27   5.07 +/- 2.37  26.342% * 43.5260% (0.94   1.42  25.20) =  73.870%  kept
          HB    VAL   42 - HE3   TRP   27   9.45 +/- 2.46   7.945% * 33.1046% (0.97   1.04   0.55) =  16.946%  kept
          HG3   LYS+  65 - HN    LEU   67   6.18 +/- 0.91  13.747% *  4.8925% (0.15   0.99   0.33) =   4.333%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.75 +/- 1.37   4.101% *  8.2768% (0.31   0.83   0.02) =   2.187%  kept
          HB2   LEU   80 - HE3   TRP   27  13.91 +/- 7.32   6.460% *  4.9978% (0.17   0.88   6.29) =   2.080%  kept
          HG3   LYS+  33 - HE3   TRP   27   9.01 +/- 1.05   3.630% *  0.6453% (0.99   0.02   0.02) =   0.151%  kept
          QB    LEU   98 - HE3   TRP   27  10.09 +/- 3.40   5.947% *  0.3662% (0.56   0.02   0.02) =   0.140%  kept
          HG3   LYS+  65 - HE3   TRP   27  13.50 +/- 2.51   1.460% *  0.6340% (0.97   0.02   0.02) =   0.060%
          QB    ALA   12 - HE3   TRP   27  15.24 +/- 3.15   0.964% *  0.5402% (0.83   0.02   0.02) =   0.034%
          HG3   LYS+ 106 - HE3   TRP   27  15.49 +/- 3.19   0.992% *  0.4943% (0.76   0.02   0.02) =   0.032%
          HB    VAL   42 - HN    LEU   67   8.86 +/- 1.79   4.635% *  0.0986% (0.15   0.02   0.02) =   0.029%
          HG3   LYS+ 102 - HE3   TRP   27  17.78 +/- 3.83   0.726% *  0.5970% (0.91   0.02   0.02) =   0.028%
          HG    LEU   98 - HE3   TRP   27  11.29 +/- 3.32   3.736% *  0.0875% (0.13   0.02   0.02) =   0.021%
          QB    ALA   84 - HE3   TRP   27  13.64 +/- 4.24   1.793% *  0.1280% (0.20   0.02   0.02) =   0.015%
          HB3   LEU   73 - HN    LEU   67  11.74 +/- 1.16   1.608% *  0.0952% (0.15   0.02   0.02) =   0.010%
          HB3   LYS+  74 - HN    LEU   67  10.53 +/- 2.58   4.804% *  0.0311% (0.05   0.02   0.02) =   0.010%
          HB2   LYS+ 112 - HE3   TRP   27  22.53 +/- 2.87   0.259% *  0.5610% (0.86   0.02   0.02) =   0.009%
          HG3   LYS+  33 - HN    LEU   67  15.85 +/- 3.02   1.357% *  0.1004% (0.15   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - HE3   TRP   27  19.03 +/- 4.72   0.636% *  0.1798% (0.28   0.02   0.02) =   0.007%
          HB3   PRO   93 - HE3   TRP   27  17.45 +/- 2.26   0.639% *  0.1440% (0.22   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    LEU   67  16.30 +/- 2.48   0.743% *  0.0841% (0.13   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    LEU   67  17.34 +/- 2.90   0.702% *  0.0873% (0.13   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    LEU   67  14.14 +/- 2.51   1.051% *  0.0570% (0.09   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    LEU   67  14.06 +/- 3.65   2.034% *  0.0280% (0.04   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HN    LEU   67  22.56 +/- 3.45   0.425% *  0.0929% (0.14   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   67  17.50 +/- 2.45   0.513% *  0.0769% (0.12   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LEU   67  14.95 +/- 2.44   0.989% *  0.0224% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  15.80 +/- 3.48   0.823% *  0.0136% (0.02   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  16.94 +/- 1.75   0.551% *  0.0199% (0.03   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  19.21 +/- 2.76   0.388% *  0.0176% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 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        :     73
      with multiple volume contributions     :    127
      eliminated by violation filter         :      8
 
    Peaks:
      selected                               :    240
      without assignment                     :     22
      with assignment                        :    218
      with unique assignment                 :    102
      with multiple assignment               :    116
      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             :    186
 
    Atoms with eliminated volume contribution > 2.5: