- 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 = 47.3:
      O   HA    MET   11 - HN    MET   11   2.77 +/- 0.20  82.201% * 92.0043% (0.95  10.0   3.37  47.81) =  98.547%  kept
          HA    ALA   12 - HN    MET   11   5.06 +/- 0.42  14.996% *  7.4246% (0.73   1.0   2.10  11.97) =   1.451%  kept
          HA    GLU-  14 - HN    MET   11  10.92 +/- 1.14   1.690% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    MET   11  27.43 +/- 4.35   0.108% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  30.68 +/- 5.12   0.109% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  34.91 +/- 8.98   0.336% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.92 +/- 4.49   0.210% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  29.89 +/- 4.48   0.078% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  36.43 +/- 4.98   0.049% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  35.96 +/- 5.72   0.059% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  28.13 +/- 4.31   0.103% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.00 +/- 4.61   0.061% *  0.0243% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.564, support = 2.81, residual support = 12.2:
      O   HA    ALA   12 - HN    ALA   12   2.82 +/- 0.08  40.908% * 68.6590% (0.71  10.0   2.38  12.41) =  61.658%  kept
      O   HA    MET   11 - HN    ALA   12   2.54 +/- 0.19  56.233% * 31.0568% (0.32  10.0   3.50  11.97) =  38.338%  kept
          HA    GLU-  14 - HN    ALA   12   7.70 +/- 0.90   2.543% *  0.0691% (0.72   1.0   0.02   0.02) =   0.004%
          HA    LEU  104 - HN    ALA   12  29.65 +/- 4.61   0.047% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.48 +/- 3.55   0.079% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  34.94 +/- 5.03   0.028% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  29.28 +/- 4.59   0.078% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  27.76 +/- 4.28   0.057% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  35.40 +/- 4.25   0.027% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.52 +/- 0.32  85.833% * 87.3055% (0.14  10.0   1.72   5.16) =  98.029%  kept
          HA    GLU-  14 - HN    SER   13   5.05 +/- 0.52  13.611% * 11.0520% (0.20   1.0   1.49   6.61) =   1.968%  kept
          HA    PHE   59 - HN    SER   13  23.10 +/- 4.33   0.344% *  0.3952% (0.53   1.0   0.02   0.02) =   0.002%
          HA    TRP   87 - HN    SER   13  32.44 +/- 5.07   0.066% *  0.7363% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    SER   13  27.45 +/- 3.80   0.087% *  0.3952% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  32.89 +/- 5.43   0.059% *  0.1159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 6.39:
      O   QB    SER   13 - HN    SER   13   2.87 +/- 0.36  96.919% * 99.5044% (0.87  10.0   2.06   6.39) =  99.997%  kept
          HB3   SER   37 - HN    SER   13  15.24 +/- 4.70   1.589% *  0.1124% (0.98   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    SER   13  16.65 +/- 4.63   0.992% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   13  25.34 +/- 4.57   0.270% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.99 +/- 5.04   0.100% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  29.92 +/- 5.71   0.130% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.3:
      O   HA    GLN   17 - HN    VAL   18   2.53 +/- 0.14  90.796% * 99.5491% (0.81  10.0   5.47  50.30) =  99.995%  kept
          HA    GLU-  15 - HN    VAL   18   7.37 +/- 0.38   3.891% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  17.80 +/- 5.17   0.957% *  0.0911% (0.74   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    VAL   18  14.15 +/- 3.47   0.763% *  0.1100% (0.89   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  16.86 +/- 2.76   0.372% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  14.61 +/- 3.80   1.318% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  11.99 +/- 1.54   1.073% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.36 +/- 4.84   0.690% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  24.83 +/- 4.68   0.140% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 75.7:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.03  85.608% * 86.2065% (0.36  10.0   5.59  76.66) =  98.717%  kept
          HA1   GLY   16 - HN    VAL   18   6.57 +/- 0.27   7.332% * 12.9157% (0.43   1.0   2.51   0.02) =   1.267%  kept
          HA    VAL   70 - HN    VAL   18  10.73 +/- 4.54   3.684% *  0.1992% (0.84   1.0   0.02   0.02) =   0.010%
          HB2   SER   37 - HN    VAL   18  14.69 +/- 2.92   0.810% *  0.1839% (0.77   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    VAL   18  15.47 +/- 3.20   1.161% *  0.0944% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   18  17.58 +/- 3.37   0.522% *  0.1992% (0.84   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   18  15.61 +/- 2.30   0.718% *  0.1300% (0.55   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  25.56 +/- 6.81   0.167% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 6.52:
      O   HA    SER   13 - HN    GLU-  14   2.55 +/- 0.38  80.483% * 89.7813% (0.67  10.0   2.09   6.61) =  98.151%  kept
          HA    GLU-  15 - HN    GLU-  14   4.94 +/- 0.63  13.868% *  9.7899% (0.67   1.0   2.18   1.68) =   1.844%  kept
          HA    GLN   17 - HN    GLU-  14   9.31 +/- 1.05   2.861% *  0.0676% (0.51   1.0   0.02   0.02) =   0.003%
          HA    SER   37 - HN    GLU-  14  14.72 +/- 4.84   0.658% *  0.0676% (0.51   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  14  21.69 +/- 3.94   0.445% *  0.0880% (0.66   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  16.65 +/- 3.62   0.410% *  0.0777% (0.58   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.02 +/- 5.65   0.546% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.54 +/- 3.24   0.148% *  0.0745% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.92 +/- 2.40   0.278% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.73 +/- 5.14   0.303% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.61, residual support = 17.3:
          HN    GLN   17 - HN    GLY   16   2.44 +/- 0.13  97.263% * 86.7981% (0.13   3.61  17.29) =  99.952%  kept
          HN    ALA   61 - HN    GLY   16  16.61 +/- 2.60   0.388% *  3.5170% (0.97   0.02   0.02) =   0.016%
          HN    TRP   27 - HN    GLY   16  15.21 +/- 2.13   0.510% *  2.4374% (0.67   0.02   0.02) =   0.015%
          HN    THR   39 - HN    GLY   16  12.36 +/- 4.47   1.674% *  0.5475% (0.15   0.02   0.02) =   0.011%
          HE3   TRP   87 - HN    GLY   16  27.24 +/- 5.88   0.092% *  3.2756% (0.90   0.02   0.02) =   0.004%
          HN    ALA   91 - HN    GLY   16  28.18 +/- 3.72   0.073% *  3.4244% (0.94   0.02   0.02) =   0.003%
    Distance limit 4.40 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 = 3.61, residual support = 17.3:
        T HN    GLY   16 - HN    GLN   17   2.44 +/- 0.13  99.679% * 99.8536% (1.00 10.00   3.61  17.29) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.22 +/- 3.63   0.212% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  26.38 +/- 5.60   0.108% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.496, support = 2.1, residual support = 6.04:
      O   HA    GLU-  15 - HN    GLY   16   2.52 +/- 0.27  82.016% * 75.5942% (0.47  10.0   2.05   5.54) =  95.703%  kept
          HA    GLN   17 - HN    GLY   16   4.97 +/- 0.09  11.685% * 23.7782% (0.97   1.0   3.09  17.29) =   4.289%  kept
          HA    SER   13 - HN    GLY   16   8.86 +/- 0.73   2.600% *  0.0756% (0.47   1.0   0.02   0.02) =   0.003%
          HA    SER   37 - HN    GLY   16  13.16 +/- 4.60   1.169% *  0.1539% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    GLY   16  13.31 +/- 3.97   1.215% *  0.0479% (0.30   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    GLY   16  15.75 +/- 3.22   0.497% *  0.1067% (0.67   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  22.31 +/- 3.78   0.191% *  0.1499% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  18.51 +/- 2.68   0.269% *  0.0696% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  25.21 +/- 4.90   0.357% *  0.0240% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.784, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.66 +/- 0.16  39.158% * 12.6997% (0.90   0.02   0.02) =  48.287%  kept
          HA    VAL   70 - HN    GLY   16   9.73 +/- 4.45  25.803% *  6.1679% (0.44   0.02   0.02) =  15.454%  kept
          HA    GLU-  29 - HN    GLY   16  14.89 +/- 4.03  11.077% * 12.3380% (0.87   0.02   0.02) =  13.270%  kept
          HA    LYS+  33 - HN    GLY   16  13.05 +/- 3.69  12.954% * 10.5138% (0.75   0.02   0.02) =  13.224%  kept
          HA    GLN   32 - HN    GLY   16  15.47 +/- 3.62   4.979% *  9.4500% (0.67   0.02   0.02) =   4.568%  kept
          HA    SER   48 - HN    GLY   16  25.32 +/- 5.13   1.380% * 12.6997% (0.90   0.02   0.02) =   1.702%  kept
          HA    GLN  116 - HN    GLY   16  20.39 +/- 3.43   1.867% *  6.1679% (0.44   0.02   0.02) =   1.118%  kept
          HD2   PRO   52 - HN    GLY   16  26.83 +/- 4.57   1.669% *  6.6964% (0.47   0.02   0.02) =   1.085%  kept
          HB2   SER   82 - HN    GLY   16  28.55 +/- 6.13   0.663% * 13.2768% (0.94   0.02   0.02) =   0.854%  kept
          HA    ALA   88 - HN    GLY   16  30.52 +/- 4.06   0.450% *  9.9899% (0.71   0.02   0.02) =   0.437%  kept
    Distance limit 3.51 A violated in 20 structures by 2.56 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 5.16, residual support = 82.4:
      O   HA    GLN   17 - HN    GLN   17   2.91 +/- 0.01  54.020% * 95.6056% (0.99  10.0   5.27  84.98) =  96.915%  kept
          HA    GLU-  15 - HN    GLN   17   3.22 +/- 0.28  40.984% *  4.0046% (0.49   1.0   1.71   0.02) =   3.080%  kept
          HA    SER   13 - HN    GLN   17   9.04 +/- 0.97   2.116% *  0.0470% (0.49   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    GLN   17  14.44 +/- 3.86   0.636% *  0.0956% (0.99   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    GLN   17  15.17 +/- 3.02   0.502% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  13.67 +/- 3.49   0.777% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  20.75 +/- 3.97   0.227% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  17.19 +/- 2.73   0.419% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  23.89 +/- 4.81   0.319% *  0.0149% (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 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 85.0:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  98.532% * 99.1229% (0.70  10.0 10.00   1.00  84.98) =  99.998%  kept
        T HE21  GLN   17 - HE22  GLN   32  21.38 +/- 4.30   0.102% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN   17  20.71 +/- 6.35   0.483% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  19.95 +/- 5.33   0.397% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  20.77 +/- 5.11   0.339% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  29.72 +/- 6.62   0.050% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  28.37 +/- 5.54   0.052% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  28.82 +/- 5.09   0.045% *  0.0078% (0.05   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 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 85.0:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.436% * 99.4952% (0.63  10.0   1.00  84.98) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN   17  17.71 +/- 4.19   0.268% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  21.92 +/- 5.83   0.169% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  21.38 +/- 4.30   0.103% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  31.34 +/- 5.66   0.025% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 0.28, support = 3.34, residual support = 21.8:
      O   HA1   GLY   16 - HN    GLN   17   3.23 +/- 0.06  67.794% * 63.2120% (0.22  10.0   3.26  17.29) =  86.280%  kept
          HA    VAL   18 - HN    GLN   17   4.94 +/- 0.15  19.159% * 35.4159% (0.65   1.0   3.86  50.30) =  13.661%  kept
          HA    VAL   70 - HN    GLN   17   9.84 +/- 4.29   4.852% *  0.2833% (1.00   1.0   0.02   0.02) =   0.028%
          HA    GLU-  29 - HN    GLN   17  14.78 +/- 3.84   3.327% *  0.1950% (0.69   1.0   0.02   0.02) =   0.013%
          HA    LYS+  33 - HN    GLN   17  13.80 +/- 3.09   1.839% *  0.2372% (0.84   1.0   0.02   0.02) =   0.009%
          HB2   SER   37 - HN    GLN   17  12.60 +/- 4.06   2.027% *  0.1494% (0.53   1.0   0.02   0.02) =   0.006%
          HA    GLN  116 - HN    GLN   17  19.45 +/- 3.30   0.400% *  0.2833% (1.00   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    GLN   17  23.63 +/- 5.43   0.454% *  0.0632% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   17  27.38 +/- 6.07   0.149% *  0.1607% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.64:
          HA    LEU   73 - HN    ILE   19   6.13 +/- 6.44 100.000% *100.0000% (0.87   2.00   4.64) = 100.000%  kept
    Distance limit 3.70 A violated in 5 structures by 3.08 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.648, support = 4.87, residual support = 22.7:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.05  92.669% * 90.8927% (0.65  10.0   4.87  22.78) =  99.749%  kept
          HA    VAL   70 - HN    ILE   19   9.51 +/- 3.79   2.446% *  8.5372% (1.00   1.0   1.22   0.16) =   0.247%  kept
          HA    GLU-  29 - HN    ILE   19  12.20 +/- 2.12   1.063% *  0.0965% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  12.61 +/- 1.74   0.696% *  0.1174% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.35 +/- 0.41   1.800% *  0.0313% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ILE   19  12.26 +/- 2.49   0.737% *  0.0739% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  17.73 +/- 2.75   0.256% *  0.1402% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  23.41 +/- 7.12   0.124% *  0.0795% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  20.10 +/- 5.41   0.210% *  0.0313% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 6.72, residual support = 171.5:
      O   HA    ILE   19 - HN    ILE   19   2.87 +/- 0.06  93.070% * 99.7071% (0.87  10.0   6.72 171.51) =  99.995%  kept
          HA    THR   26 - HN    ILE   19  10.45 +/- 2.00   4.252% *  0.0605% (0.53   1.0   0.02   0.02) =   0.003%
          HA    GLU-  25 - HN    ILE   19  13.54 +/- 1.97   1.727% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  19.76 +/- 3.83   0.427% *  0.1147% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ILE   19  20.84 +/- 2.89   0.306% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  24.36 +/- 6.58   0.217% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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   2.28 +/- 0.09  87.219% * 99.7374% (0.97  10.0   5.04  25.54) =  99.992%  kept
          HA    THR   26 - HN    ALA   20   8.56 +/- 2.37   8.785% *  0.0388% (0.38   1.0   0.02   0.12) =   0.004%
          HA    GLU-  25 - HN    ALA   20  11.59 +/- 2.43   3.464% *  0.0828% (0.80   1.0   0.02   0.02) =   0.003%
          HA    CYS   53 - HN    ALA   20  19.99 +/- 4.31   0.277% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  22.83 +/- 6.07   0.126% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  22.55 +/- 3.80   0.130% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.91 +/- 0.04  95.466% * 99.9455% (0.97  10.0   3.14  15.21) =  99.997%  kept
          HA    LEU   71 - HN    ALA   20  10.17 +/- 3.95   4.534% *  0.0545% (0.53   1.0   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.7, residual support = 7.8:
        T HN    LYS+  74 - HN    CYS   21   5.70 +/- 5.81  51.380% * 99.2410% (0.76 10.00   3.71   7.80) =  99.920%  kept
        T HN    LYS+  74 - HN    ILE  119  16.70 +/- 2.69   7.824% *  0.3136% (0.24 10.00   0.02   0.02) =   0.048%
          HN    THR   46 - HN    CYS   21  13.21 +/- 4.67   4.633% *  0.1299% (1.00  1.00   0.02   0.02) =   0.012%
          HN    MET   11 - HN    CYS   21  19.63 +/- 4.68   5.102% *  0.0534% (0.41  1.00   0.02   0.02) =   0.005%
          HN    MET   92 - HN    CYS   21  19.36 +/- 3.53   1.375% *  0.1228% (0.95  1.00   0.02   0.02) =   0.003%
          HN    THR   46 - HN    ILE  119  16.52 +/- 1.31   4.033% *  0.0410% (0.32  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HN    ILE  119  10.61 +/- 0.73  15.625% *  0.0102% (0.08  1.00   0.02   0.02) =   0.003%
          HN    MET   92 - HN    ILE  119  18.25 +/- 1.25   3.181% *  0.0388% (0.30  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HN    CYS   21  21.84 +/- 3.42   3.040% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    ILE  119  30.18 +/- 5.51   3.807% *  0.0169% (0.13  1.00   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 3 structures by 2.29 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 16.6:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.04  97.476% * 99.8901% (0.95  10.0   3.46  16.64) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  11.31 +/- 3.68   1.097% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  18.53 +/- 3.20   0.279% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.76 +/- 2.83   0.192% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  15.34 +/- 3.17   0.787% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  20.46 +/- 3.77   0.169% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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   2.74 +/- 0.06  98.331% * 99.8043% (0.83  10.0   3.83  40.99) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  13.57 +/- 1.25   0.898% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  18.80 +/- 3.48   0.615% *  0.1025% (0.85   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    ASP-  62  23.99 +/- 2.19   0.157% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 6.34:
          HA    PHE   59 - HN    ASP-  62   3.91 +/- 0.46  83.430% * 92.4913% (0.52   1.50   6.36) =  99.716%  kept
          HA    ILE   56 - HN    ASP-  62   8.97 +/- 0.93   9.242% *  1.2332% (0.52   0.02   0.02) =   0.147%  kept
          HA    ASP- 113 - HN    ASP-  62  13.46 +/- 1.62   2.522% *  2.0287% (0.86   0.02   0.02) =   0.066%
          HA    LEU  123 - HN    ASP-  62  13.67 +/- 1.34   2.167% *  0.9897% (0.42   0.02   0.02) =   0.028%
          HA    LYS+  99 - HN    ASP-  62  18.16 +/- 3.50   1.307% *  1.6281% (0.69   0.02   0.02) =   0.027%
          HA    ASN   35 - HN    ASP-  62  21.31 +/- 3.50   0.767% *  1.3153% (0.56   0.02   0.02) =   0.013%
          HA    TRP   87 - HN    ASP-  62  22.35 +/- 2.65   0.565% *  0.3137% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.19 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.32, residual support = 21.6:
          HN    THR   23 - HN    HIS   22   2.66 +/- 0.85  89.820% * 97.2644% (0.69   3.32  21.60) =  99.920%  kept
          HE3   TRP   27 - HN    HIS   22   7.84 +/- 1.45   6.942% *  0.8515% (1.00   0.02   0.02) =   0.068%
          QE    PHE   95 - HN    HIS   22  16.14 +/- 2.20   0.616% *  0.6197% (0.73   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    HIS   22  21.09 +/- 5.42   0.376% *  0.8515% (1.00   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    HIS   22  17.01 +/- 6.66   1.614% *  0.1495% (0.18   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    HIS   22  16.73 +/- 2.12   0.633% *  0.2634% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.86 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 = 6.11:
          HA    ALA   20 - HN    HIS   22   4.94 +/- 0.20  91.098% * 98.9138% (0.95   1.09   6.12) =  99.949%  kept
          HA    LEU   71 - HN    HIS   22  13.39 +/- 2.33   5.437% *  0.4290% (0.22   0.02   0.02) =   0.026%
          HA    LYS+ 102 - HN    HIS   22  20.82 +/- 4.26   3.466% *  0.6572% (0.34   0.02   0.02) =   0.025%
    Distance limit 3.91 A violated in 0 structures by 1.03 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.68, residual support = 12.9:
        T HN    THR   26 - HN    THR   23   4.42 +/- 0.36  77.290% * 98.4986% (0.69 10.00   3.69  12.92) =  99.678%  kept
          HN    LEU   80 - HN    THR   23  13.85 +/- 7.58  17.549% *  1.3844% (0.34  1.00   0.57   0.51) =   0.318%  kept
          HN    CYS   53 - HN    THR   23  20.51 +/- 4.77   2.131% *  0.0812% (0.57  1.00   0.02   0.02) =   0.002%
          HN    ALA   34 - HN    THR   23  13.54 +/- 1.21   3.030% *  0.0358% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.12 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 21.6:
        T HN    HIS   22 - HN    THR   23   2.66 +/- 0.85  88.163% * 98.5797% (0.99 10.00   3.32  21.60) =  99.807%  kept
          HN    ASP-  76 - HN    THR   23  10.84 +/- 5.54  11.837% *  1.4203% (0.95  1.00   0.30   0.02) =   0.193%  kept
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.83, residual support = 33.5:
        T HN    GLU-  25 - HN    VAL   24   2.84 +/- 0.16  88.750% * 95.4482% (0.98 10.00   7.86  33.65) =  99.462%  kept
          HN    ASN   28 - HN    VAL   24   5.95 +/- 0.31  10.263% *  4.4553% (0.41  1.00   2.23  14.35) =   0.537%  kept
          HN    ASP-  44 - HN    VAL   24  13.62 +/- 1.71   0.987% *  0.0965% (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 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.86, residual support = 33.6:
        T HN    VAL   24 - HN    GLU-  25   2.84 +/- 0.16 100.000% *100.0000% (1.00 10.00   7.86  33.65) = 100.000%  kept
    Distance limit 3.38 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 = 5.44, residual support = 32.0:
        T HN    THR   26 - HN    GLU-  25   2.86 +/- 0.09  99.575% * 99.9840% (0.97 10.00   5.44  32.03) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.01 +/- 1.47   0.425% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.967, support = 5.39, residual support = 31.3:
        T HN    GLU-  25 - HN    THR   26   2.86 +/- 0.09  73.818% * 93.4376% (0.98 10.00   5.44  32.03) =  97.657%  kept
          HN    ASN   28 - HN    THR   26   4.11 +/- 0.24  25.571% *  6.4679% (0.41  1.00   3.30   0.42) =   2.342%  kept
          HN    ASP-  44 - HN    THR   26  14.91 +/- 1.75   0.611% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 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   2.43 +/- 0.11  97.200% * 98.4567% (0.99   4.46  22.70) =  99.994%  kept
          HE3   TRP   87 - HN    THR   26  21.30 +/- 6.63   0.664% *  0.1672% (0.38   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  18.87 +/- 3.55   0.361% *  0.3060% (0.69   0.02   0.02) =   0.001%
          HN    THR   39 - HN    THR   26  16.58 +/- 1.48   0.339% *  0.2882% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    THR   26  19.93 +/- 6.47   0.351% *  0.2702% (0.61   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  22.67 +/- 3.76   0.154% *  0.3404% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.17 +/- 0.93   0.421% *  0.1111% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.53 +/- 4.47   0.511% *  0.0603% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.92, support = 3.62, residual support = 13.6:
          HN    THR   23 - HN    THR   26   4.42 +/- 0.36  64.076% * 66.6641% (0.97   3.69  12.92) =  90.600%  kept
          HE3   TRP   27 - HN    THR   26   7.57 +/- 0.35  13.436% * 29.4295% (0.49   3.23  22.70) =   8.387%  kept
          HD2   HIS   22 - HN    THR   26   7.50 +/- 1.27  17.165% *  2.7181% (0.45   0.32   0.02) =   0.990%  kept
          QE    PHE   95 - HN    THR   26  18.43 +/- 2.28   1.019% *  0.3538% (0.95   0.02   0.02) =   0.008%
          HN    LEU   67 - HN    THR   26  19.37 +/- 1.75   0.876% *  0.3453% (0.92   0.02   0.02) =   0.006%
          HD1   TRP   49 - HN    THR   26  23.08 +/- 4.22   0.999% *  0.2268% (0.61   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    THR   26  23.73 +/- 4.77   0.742% *  0.2117% (0.57   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.43 +/- 1.30   1.687% *  0.0506% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.88, support = 4.51, residual support = 67.0:
          HE3   TRP   27 - HN    TRP   27   5.21 +/- 0.31  32.981% * 70.5808% (1.00   5.33 107.19) =  62.118%  kept
          HN    THR   23 - HN    TRP   27   4.53 +/- 0.34  49.419% * 28.7060% (0.69   3.15   1.16) =  37.855%  kept
          QE    PHE   95 - HN    TRP   27  16.76 +/- 2.30   1.827% *  0.1926% (0.73   0.02   0.02) =   0.009%
          QD    PHE   55 - HN    TRP   27  22.44 +/- 4.29   0.721% *  0.2647% (1.00   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    TRP   27  17.12 +/- 7.02   3.509% *  0.0465% (0.18   0.02   0.02) =   0.004%
          HN    LEU   67 - HN    TRP   27  17.56 +/- 1.84   1.011% *  0.0819% (0.31   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    ALA   91  14.70 +/- 3.06   2.521% *  0.0327% (0.12   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    ALA   91  11.65 +/- 1.08   3.082% *  0.0238% (0.09   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  18.92 +/- 4.12   0.909% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  12.55 +/- 1.48   2.721% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  20.08 +/- 3.79   0.688% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  21.34 +/- 2.97   0.610% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.21 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   2.43 +/- 0.11  99.170% * 99.8587% (0.97 10.00   4.46  22.70) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  22.67 +/- 3.76   0.157% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.34 +/- 1.48   0.544% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.22 +/- 2.48   0.130% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 31.9:
        T HN    GLN   90 - HN    ALA   91   2.83 +/- 0.27  93.295% * 91.0962% (0.12 10.00   6.75  31.91) =  99.958%  kept
        T HN    GLN   90 - HN    TRP   27  21.32 +/- 5.11   0.330% *  7.3725% (0.95 10.00   0.02   0.02) =   0.029%
          HN    ILE  103 - HN    TRP   27  18.39 +/- 3.93   0.735% *  0.7794% (1.00  1.00   0.02   0.02) =   0.007%
          HN    SER   82 - HN    TRP   27  17.89 +/- 7.70   1.764% *  0.1735% (0.22  1.00   0.02   0.02) =   0.004%
          HN    GLY  109 - HN    ALA   91  11.10 +/- 1.71   2.128% *  0.0507% (0.07  1.00   0.02   0.02) =   0.001%
          HN    GLY  109 - HN    TRP   27  22.92 +/- 2.39   0.239% *  0.4100% (0.53  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.91 +/- 1.28   1.258% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.39 +/- 2.64   0.252% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 0.981, support = 5.2, residual support = 49.8:
        T HN    ASN   28 - HN    TRP   27   2.69 +/- 0.17  74.206% * 94.7673% (0.99 10.00   5.24  50.66) =  98.361%  kept
          HN    GLU-  25 - HN    TRP   27   4.03 +/- 0.18  23.346% *  5.0147% (0.38  1.00   2.79   0.53) =   1.637%  kept
          HN    ASP-  44 - HN    TRP   27  12.91 +/- 1.73   0.852% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  21.79 +/- 4.13   0.216% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.54 +/- 1.70   0.256% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.38 +/- 2.10   0.775% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  21.62 +/- 3.91   0.211% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  24.39 +/- 3.64   0.139% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 107.2:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  89.224% * 99.6433% (0.76  10.0   2.35 107.19) =  99.986%  kept
          HH2   TRP   49 - HE1   TRP   27  21.55 +/- 5.87   5.369% *  0.1278% (0.98   1.0   0.02   0.02) =   0.008%
          QD    PHE   59 - HE1   TRP   27  16.58 +/- 3.92   3.647% *  0.0996% (0.76   1.0   0.02   0.02) =   0.004%
          HE21  GLN   30 - HE1   TRP   27  10.19 +/- 1.06   1.761% *  0.1292% (0.99   1.0   0.02   0.02) =   0.003%
    Distance limit 3.39 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 = 107.2:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.441% * 99.8797% (0.45  10.0   1.80 107.19) =  99.998%  kept
          HZ    PHE   72 - HE1   TRP   27  13.21 +/- 2.22   1.559% *  0.1203% (0.49   1.0   0.02   0.21) =   0.002%
    Distance limit 3.98 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 = 0.94, support = 5.07, residual support = 29.2:
          HN    GLU-  29 - HN    ASN   28   2.81 +/- 0.12  68.337% * 56.8722% (0.98   5.21  32.63) =  77.938%  kept
          HN    GLN   30 - HN    ASN   28   3.85 +/- 0.10  26.813% * 40.7974% (0.80   4.58  17.39) =  21.937%  kept
          HN    GLU-  14 - HN    ASN   28  15.58 +/- 5.22   2.927% *  2.0769% (0.22   0.84   0.02) =   0.122%  kept
          HN    ASP-  86 - HN    ASN   28  19.77 +/- 7.57   0.581% *  0.1932% (0.87   0.02   0.02) =   0.002%
          HN    VAL   18 - HN    ASN   28  14.46 +/- 2.39   0.901% *  0.0301% (0.14   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    ASN   28  20.98 +/- 4.80   0.441% *  0.0301% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.24, residual support = 50.7:
          HN    TRP   27 - HN    ASN   28   2.69 +/- 0.17  95.436% * 98.6834% (0.99   5.24  50.66) =  99.992%  kept
          HD1   TRP   87 - HN    ASN   28  18.52 +/- 6.83   0.790% *  0.2305% (0.61   0.02   0.02) =   0.002%
          HN    THR   39 - HN    ASN   28  14.28 +/- 1.07   0.707% *  0.2458% (0.65   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  18.51 +/- 3.39   0.555% *  0.2610% (0.69   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    ASN   28  12.72 +/- 0.62   0.990% *  0.0948% (0.25   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    ASN   28  19.50 +/- 6.89   0.643% *  0.1426% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  21.79 +/- 4.13   0.282% *  0.2904% (0.76   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.76 +/- 4.35   0.597% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.416, support = 5.3, residual support = 50.2:
          HD1   TRP   27 - HN    ASN   28   2.84 +/- 0.43  92.289% * 79.9599% (0.41   5.36  50.66) =  98.653%  kept
          HE21  GLN   30 - HN    ASN   28   7.94 +/- 1.34   5.218% * 19.0722% (0.76   0.69  17.39) =   1.330%  kept
          HH2   TRP   49 - HN    ASN   28  24.47 +/- 5.63   1.228% *  0.6697% (0.92   0.02   0.02) =   0.011%
          QD    PHE   59 - HN    ASN   28  18.32 +/- 3.67   1.266% *  0.2982% (0.41   0.02   0.02) =   0.005%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 105.7:
          HD22  ASN   28 - HN    ASN   28   2.06 +/- 0.26  99.186% * 99.9333% (0.92   5.68 105.69) =  99.999%  kept
          QE    PHE   72 - HN    ASN   28  12.12 +/- 1.74   0.814% *  0.0667% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.84 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 = 2.91, residual support = 105.7:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.569% * 99.9543% (0.98  10.0   2.91 105.69) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.48 +/- 2.04   0.431% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 0.996, support = 1.36, residual support = 3.87:
          HA    GLU-  25 - HD21  ASN   28   4.71 +/- 0.19  82.531% * 96.8162% (1.00   1.36   3.88) =  99.784%  kept
          HA    SER   82 - HD21  ASN   28  17.80 +/- 8.35  10.865% *  0.8053% (0.57   0.02   0.02) =   0.109%  kept
          HA    ILE   19 - HD21  ASN   28  12.93 +/- 1.62   5.420% *  1.3456% (0.95   0.02   0.02) =   0.091%
          HA    CYS   53 - HD21  ASN   28  22.25 +/- 3.40   1.183% *  1.0329% (0.73   0.02   0.02) =   0.015%
    Distance limit 4.37 A violated in 0 structures by 0.33 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 5.91, residual support = 101.4:
      O   HA    ASN   28 - HN    ASN   28   2.72 +/- 0.05  77.144% * 85.5025% (0.84  10.0   5.98 105.69) =  95.922%  kept
          HA    THR   26 - HN    ASN   28   4.30 +/- 0.19  19.929% * 14.0566% (0.65   1.0   4.25   0.42) =   4.074%  kept
          HA    ALA   34 - HN    ASN   28  11.24 +/- 0.66   1.129% *  0.0988% (0.97   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ASN   28  16.99 +/- 5.23   0.707% *  0.1021% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  21.31 +/- 4.43   0.441% *  0.0888% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ASN   28  24.57 +/- 4.79   0.211% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.40 +/- 4.59   0.192% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  27.18 +/- 6.03   0.247% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.12, residual support = 99.6:
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.05  52.313% * 90.4766% (0.97  10.0   5.30 107.19) =  91.856%  kept
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.02  45.235% *  9.2758% (0.10  10.0   3.12  14.47) =   8.143%  kept
          HA    ALA   91 - HN    TRP   27  21.49 +/- 3.60   0.153% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.76 +/- 3.18   0.162% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.98 +/- 4.48   0.120% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  13.64 +/- 3.76   0.956% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.45 +/- 1.14   0.323% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.11 +/- 3.87   0.105% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  21.15 +/- 4.01   0.160% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.13 +/- 2.89   0.473% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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   3.03 +/- 0.13  94.890% * 99.0061% (0.99   4.46  22.70) =  99.992%  kept
          HA    ASP-  62 - HN    TRP   27  18.47 +/- 3.60   0.804% *  0.4322% (0.97   0.02   0.02) =   0.004%
          HA    SER  117 - HN    TRP   27  24.57 +/- 5.65   0.775% *  0.3252% (0.73   0.02   0.02) =   0.003%
          HA    SER   82 - HN    TRP   27  19.71 +/- 7.60   1.157% *  0.0784% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  20.39 +/- 2.84   0.424% *  0.0534% (0.12   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  22.93 +/- 3.67   0.275% *  0.0548% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.74 +/- 1.26   1.426% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.60 +/- 1.62   0.248% *  0.0402% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.42 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  23.20 +/- 4.27 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.40 A violated in 20 structures by 18.80 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.338, support = 4.63, residual support = 33.6:
      O   HB    THR   26 - HN    THR   26   2.15 +/- 0.12  79.729% * 21.3631% (0.15  10.0   4.16  34.85) =  55.476%  kept
      O   HA    GLU-  25 - HN    THR   26   3.60 +/- 0.04  17.437% * 78.3875% (0.57  10.0   5.23  32.03) =  44.519%  kept
          HA    ILE   19 - HN    THR   26   9.70 +/- 2.13   2.153% *  0.0472% (0.34   1.0   0.02   0.02) =   0.003%
          HA    SER   82 - HN    THR   26  20.56 +/- 7.77   0.304% *  0.1381% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    THR   26  20.04 +/- 3.78   0.256% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  23.12 +/- 4.34   0.121% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.801, support = 3.05, residual support = 6.36:
          HA    THR   23 - HN    GLU-  25   3.86 +/- 0.32  46.383% * 59.5579% (0.98   2.79   6.36) =  60.581%  kept
          HB    THR   23 - HN    GLU-  25   3.93 +/- 0.67  45.321% * 39.6083% (0.53   3.45   6.36) =  39.366%  kept
          HA    LEU   80 - HN    GLU-  25  15.59 +/- 8.17   6.460% *  0.2997% (0.69   0.02   0.02) =   0.042%
          HA    ASP-  78 - HN    GLU-  25  17.57 +/- 5.30   1.005% *  0.4128% (0.95   0.02   0.02) =   0.009%
          HA    ASP- 105 - HN    GLU-  25  23.48 +/- 4.74   0.831% *  0.1213% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.85, residual support = 127.3:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.03  95.533% * 99.7793% (0.87  10.0   5.85 127.34) =  99.996%  kept
          HA    ILE   19 - HN    GLU-  25  11.89 +/- 2.20   2.898% *  0.0744% (0.65   1.0   0.02   0.02) =   0.002%
          HA    SER   82 - HN    GLU-  25  18.93 +/- 8.20   1.246% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  25  22.90 +/- 4.48   0.324% *  0.0432% (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 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.714, support = 5.36, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.36 +/- 0.17  69.717% * 90.9335% (0.73  10.0   5.38  25.73) =  97.505%  kept
          HB    THR   23 - HN    VAL   24   3.89 +/- 0.53  20.168% *  7.3219% (0.22   1.0   5.25  25.73) =   2.271%  kept
          HA    LEU   80 - HN    VAL   24  13.51 +/- 8.39   9.034% *  1.6018% (0.34   1.0   0.75   4.40) =   0.223%  kept
          HA    ASP-  78 - HN    VAL   24  15.29 +/- 5.38   0.656% *  0.1209% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  14.04 +/- 2.28   0.424% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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   2.73 +/- 0.23  65.978% * 37.3309% (0.61  10.0   3.05  19.14) =  57.270%  kept
      O   HB    THR   23 - HN    THR   23   3.64 +/- 0.25  29.871% * 61.4117% (1.00  10.0   3.95  19.14) =  42.654%  kept
          HA    LEU   80 - HN    THR   23  14.84 +/- 8.27   2.705% *  1.1816% (0.95   1.0   0.41   0.51) =   0.074%
          HA    ASP- 105 - HN    THR   23  22.22 +/- 4.34   0.820% *  0.0568% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    THR   23  15.90 +/- 5.65   0.627% *  0.0190% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 2.24, residual support = 2.81:
          HA    ALA   20 - HN    THR   23   5.70 +/- 0.64  92.331% * 98.9853% (0.73   2.24   2.81) =  99.915%  kept
          HA    LEU   71 - HN    THR   23  14.37 +/- 2.30   7.669% *  1.0147% (0.84   0.02   0.02) =   0.085%
    Distance limit 3.95 A violated in 14 structures by 1.75 A, kept.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.14, residual support = 12.9:
          HB    THR   26 - HN    THR   23   3.82 +/- 0.41  94.293% * 98.2743% (0.99   2.14  12.92) =  99.963%  kept
          HA    ASP-  62 - HN    THR   23  17.64 +/- 3.55   2.815% *  0.8924% (0.97   0.02   0.02) =   0.027%
          HA    SER  117 - HN    THR   23  24.12 +/- 6.02   0.965% *  0.6714% (0.73   0.02   0.02) =   0.007%
          HA    SER   82 - HN    THR   23  19.13 +/- 7.63   1.927% *  0.1619% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.68 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 = 2.91, residual support = 105.7:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  96.787% * 99.7763% (0.98  10.0   2.91 105.69) =  99.998%  kept
          HZ2   TRP   87 - HD22  ASN   28  15.96 +/- 7.93   0.810% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  14.22 +/- 3.24   1.173% *  0.0495% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HD22  ASN   28  18.01 +/- 4.10   1.170% *  0.0418% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - HD22  ASN   28  23.03 +/- 3.74   0.060% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 5.21, residual support = 32.6:
        T HN    ASN   28 - HN    GLU-  29   2.81 +/- 0.12  91.141% * 99.0445% (0.76 10.00   5.21  32.63) =  99.927%  kept
          HN    GLU-  25 - HN    GLU-  29   6.40 +/- 0.32   7.893% *  0.8308% (0.73  1.00   0.18   0.02) =   0.073%
          HN    ASP-  44 - HN    GLU-  29  15.36 +/- 1.71   0.628% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  19.11 +/- 2.18   0.338% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 7.23, residual support = 51.6:
        T HN    LEU   31 - HN    GLN   30   2.51 +/- 0.08  97.506% * 98.4622% (0.73 10.00   7.23  51.62) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   30  25.49 +/- 3.63   0.119% *  1.3086% (0.97 10.00   0.02   0.02) =   0.002%
          HN    ASP-  62 - HN    GLN   30  18.78 +/- 3.34   0.377% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  23.35 +/- 6.20   0.212% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.46 +/- 2.98   0.889% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.93 +/- 3.72   0.132% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.03 +/- 3.08   0.325% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  21.99 +/- 5.10   0.240% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.04 +/- 1.62   0.102% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.34 +/- 1.79   0.098% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 5.84, residual support = 44.5:
        T HN    LEU   31 - HN    GLN   32   2.71 +/- 0.22  96.446% * 99.0995% (0.98 10.00   5.84  44.52) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  27.52 +/- 3.15   0.107% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   9.09 +/- 0.26   2.711% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.60 +/- 3.67   0.389% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.11 +/- 3.33   0.114% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  24.48 +/- 6.74   0.234% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 44.5:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.805% * 99.4510% (0.87  10.0   1.00  44.46) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  21.28 +/- 3.87   0.084% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.49 +/- 4.84   0.061% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  33.36 +/- 6.99   0.023% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  30.83 +/- 4.81   0.026% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 44.5:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  98.388% * 98.9152% (0.83  10.0 10.00   1.00  44.46) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  10.97 +/- 2.75   0.652% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  24.49 +/- 4.58   0.200% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  21.28 +/- 3.87   0.083% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  33.36 +/- 6.99   0.023% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  25.84 +/- 7.62   0.071% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  20.25 +/- 2.95   0.077% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  31.66 +/- 4.37   0.021% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  21.10 +/- 3.29   0.071% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.05 +/- 4.42   0.023% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.22 +/- 2.25   0.180% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  24.67 +/- 2.79   0.039% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  22.23 +/- 4.20   0.090% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  26.66 +/- 4.15   0.042% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  25.75 +/- 5.69   0.042% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.899, support = 5.76, residual support = 50.7:
          HN    GLU-  36 - HN    ASN   35   2.44 +/- 0.16  89.394% * 76.4903% (0.90   5.87  52.13) =  97.224%  kept
          HN    THR   39 - HN    ASN   35   5.59 +/- 0.66   8.527% * 22.8499% (0.97   1.63   0.02) =   2.770%  kept
          HN    LYS+ 102 - HN    ASN   35  13.38 +/- 4.38   1.096% *  0.2109% (0.73   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    ASN   35  12.39 +/- 0.77   0.751% *  0.1194% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  24.06 +/- 6.29   0.161% *  0.2847% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  27.73 +/- 3.62   0.071% *  0.0448% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 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  54.60) = 100.000%  kept
    Distance limit 2.56 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   2.81 +/- 0.06  90.596% * 99.5029% (0.98  10.0   4.55  54.60) =  99.994%  kept
          HA    LYS+  99 - HN    ASN   35  10.83 +/- 2.79   2.835% *  0.0910% (0.90   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    ASN   35   8.75 +/- 1.09   3.534% *  0.0494% (0.49   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    ASN   35  22.53 +/- 5.76   0.446% *  0.1013% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ASN   35  13.75 +/- 3.36   1.400% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  15.96 +/- 3.91   0.683% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.67 +/- 3.27   0.123% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  26.84 +/- 4.08   0.157% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  23.48 +/- 3.69   0.226% *  0.0346% (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 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.4, residual support = 159.5:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.333% * 99.6989% (0.90  10.0   2.40 159.47) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   7.82 +/- 1.28   1.330% *  0.1102% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE22  GLN   30  15.40 +/- 2.22   0.208% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.70 +/- 5.44   0.128% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 2.4, residual support = 159.5:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.711% * 99.8775% (0.92  10.0 10.00   2.40 159.47) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.51 +/- 2.35   0.236% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.61 +/- 3.87   0.053% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.99 +/- 2.03  18.609% *  6.4793% (0.25   0.02   0.02) =  32.639%  kept
          HA    GLN   90 - HN    GLN   30  24.18 +/- 4.78   2.467% * 25.0767% (0.97   0.02   0.02) =  16.748%  kept
          HA    ALA  110 - HN    GLN   30  26.34 +/- 3.51   2.036% * 25.9267% (1.00   0.02   0.02) =  14.286%  kept
          HA    PHE   55 - HN    GLN   30  26.57 +/- 4.23   2.212% * 21.7040% (0.84   0.02   0.02) =  12.994%  kept
          HA    VAL  107 - HN    GLN   30  22.06 +/- 2.68   3.675% *  8.8635% (0.34   0.02   0.02) =   8.818%  kept
          HA    VAL   42 - HN    LYS+  99   8.26 +/- 1.91  48.519% *  0.4257% (0.02   0.02   0.02) =   5.591%  kept
          HA    ALA   91 - HN    GLN   30  23.92 +/- 3.45   2.481% *  5.7850% (0.22   0.02   0.02) =   3.886%  kept
          HA    VAL  107 - HN    LYS+  99  13.92 +/- 0.34  10.437% *  0.5823% (0.02   0.02   0.02) =   1.645%  kept
          HA    ALA  110 - HN    LYS+  99  21.20 +/- 1.53   3.322% *  1.7034% (0.07   0.02   0.02) =   1.532%  kept
          HA    GLN   90 - HN    LYS+  99  24.17 +/- 2.58   2.276% *  1.6475% (0.06   0.02   0.02) =   1.015%  kept
          HA    PHE   55 - HN    LYS+  99  25.87 +/- 1.70   1.548% *  1.4259% (0.05   0.02   0.02) =   0.597%  kept
          HA    ALA   91 - HN    LYS+  99  22.86 +/- 1.15   2.418% *  0.3801% (0.01   0.02   0.02) =   0.249%  kept
    Distance limit 4.28 A violated in 20 structures by 3.44 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.771, support = 4.73, residual support = 36.9:
          HN    ALA   34 - HN    LYS+  33   2.46 +/- 0.13  53.760% * 79.0586% (0.90   4.60  41.49) =  82.051%  kept
          HN    GLN   32 - HN    LYS+  33   2.60 +/- 0.19  46.045% * 20.1911% (0.20   5.32  15.73) =  17.948%  kept
          HN    LEU   80 - HN    LYS+  33  21.37 +/- 5.52   0.154% *  0.3702% (0.97   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  33  27.73 +/- 2.98   0.042% *  0.3802% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.12 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  99.622% * 99.5403% (0.73  10.0   2.00  54.60) = 100.000%  kept
          HN    LEU   67 - HD22  ASN   35  19.50 +/- 4.00   0.121% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HD22  ASN   35  20.33 +/- 2.70   0.077% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.85 +/- 2.02   0.089% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.94 +/- 4.16   0.023% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  21.11 +/- 2.91   0.068% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 52.1:
        T HN    ASN   35 - HN    GLU-  36   2.44 +/- 0.16  98.887% * 99.7986% (0.99 10.00   5.87  52.13) =  99.999%  kept
        T HN    LYS+  99 - HN    GLU-  36  13.81 +/- 2.74   0.752% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  18.00 +/- 4.25   0.361% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.438, support = 4.09, residual support = 12.1:
          HN    GLU-  36 - HN    SER   37   2.57 +/- 0.15  69.150% * 31.2649% (0.25   4.47  18.82) =  52.469%  kept
          HN    THR   39 - HN    SER   37   3.47 +/- 0.24  29.339% * 66.7373% (0.65   3.68   4.62) =  47.520%  kept
          HN    TRP   27 - HN    SER   37  14.62 +/- 0.98   0.403% *  0.5563% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  21.21 +/- 3.00   0.211% *  0.3855% (0.69   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    SER   37  14.03 +/- 3.99   0.630% *  0.0760% (0.14   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  25.90 +/- 5.29   0.101% *  0.3404% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  25.30 +/- 5.84   0.113% *  0.2107% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  29.42 +/- 2.89   0.053% *  0.4289% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.29 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 = 0.912, support = 5.17, residual support = 28.3:
          HN    THR   39 - HN    LYS+  38   2.75 +/- 0.14  68.500% * 80.6237% (0.95   5.47  30.82) =  91.065%  kept
          HN    GLU-  36 - HN    LYS+  38   3.67 +/- 0.09  29.343% * 18.4567% (0.57   2.09   2.40) =   8.930%  kept
          HN    LYS+ 102 - HN    LYS+  38  13.13 +/- 4.38   1.153% *  0.1170% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.43 +/- 0.97   0.414% *  0.2382% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  25.59 +/- 5.17   0.133% *  0.2878% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  21.05 +/- 3.03   0.236% *  0.1063% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  29.13 +/- 2.79   0.066% *  0.1282% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  24.82 +/- 5.86   0.156% *  0.0422% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 49.9:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.03  66.002% * 82.1305% (0.38  10.0   4.70  52.13) =  93.471%  kept
          HA    SER   37 - HN    GLU-  36   5.12 +/- 0.11  22.724% * 16.5855% (0.38   1.0   4.04  18.82) =   6.499%  kept
          HA    LEU   40 - HN    GLU-  36   9.88 +/- 0.83   3.446% *  0.2188% (1.00   1.0   0.02   0.02) =   0.013%
          HA    GLU-  15 - HN    GLU-  36  13.80 +/- 3.63   1.977% *  0.2070% (0.95   1.0   0.02   0.02) =   0.007%
          HA    SER   13 - HN    GLU-  36  15.72 +/- 3.94   1.043% *  0.2070% (0.95   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    GLU-  36  11.95 +/- 2.58   2.577% *  0.0546% (0.25   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU-  36  23.06 +/- 6.04   0.723% *  0.1151% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    GLU-  36  16.59 +/- 2.54   0.848% *  0.0821% (0.38   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  36  24.73 +/- 3.84   0.300% *  0.2112% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  25.67 +/- 1.94   0.200% *  0.0981% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.13 +/- 3.30   0.159% *  0.0900% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 86.3:
      O   HA    GLU-  36 - HN    GLU-  36   2.80 +/- 0.04  98.723% * 99.7892% (0.69  10.0   6.05  86.33) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  20.07 +/- 2.77   0.348% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  23.30 +/- 6.95   0.780% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  27.75 +/- 4.91   0.149% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 29.5:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  91.194% * 99.4774% (0.97  10.0   4.47  29.46) =  99.994%  kept
          HA    LEU   40 - HN    SER   37   8.36 +/- 0.73   4.391% *  0.0542% (0.53   1.0   0.02   0.70) =   0.003%
          HA    GLU-  15 - HN    SER   37  13.13 +/- 3.86   1.561% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    SER   37  15.80 +/- 2.71   0.719% *  0.0995% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    SER   37  15.40 +/- 4.02   0.861% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  14.02 +/- 0.67   0.842% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  23.62 +/- 3.72   0.278% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.11 +/- 1.63   0.154% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 18.8:
      O   HA    GLU-  36 - HN    SER   37   3.50 +/- 0.06  98.812% * 99.6452% (0.34  10.0   4.29  18.82) =  99.997%  kept
          HA    LYS+  66 - HN    SER   37  18.55 +/- 2.61   0.938% *  0.2819% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    SER   37  27.83 +/- 4.09   0.250% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 4.93, residual support = 21.0:
      O   HA    SER   37 - HN    LYS+  38   3.41 +/- 0.05  84.451% * 95.1850% (0.73  10.0   4.95  21.07) =  99.560%  kept
          HA    LEU   40 - HN    LYS+  38   7.40 +/- 0.31   8.381% *  4.1625% (0.84   1.0   0.76   0.72) =   0.432%  kept
          HA    GLU-  15 - HN    LYS+  38  13.88 +/- 3.80   1.847% *  0.1265% (0.97   1.0   0.02   0.02) =   0.003%
          HA    SER   13 - HN    LYS+  38  16.40 +/- 3.99   0.980% *  0.1265% (0.97   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    LYS+  38  16.34 +/- 2.96   1.006% *  0.0952% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LYS+  38  23.45 +/- 3.69   0.432% *  0.1240% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  13.45 +/- 0.47   1.394% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.94 +/- 5.91   1.067% *  0.0292% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.90 +/- 1.52   0.232% *  0.1050% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.80 +/- 3.29   0.210% *  0.0202% (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 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.98, residual support = 2.4:
          HA    GLU-  36 - HN    LYS+  38   4.22 +/- 0.22  94.472% * 97.8515% (0.97   1.98   2.40) =  99.972%  kept
          HA    ALA  124 - HN    LYS+  38  21.06 +/- 6.87   2.928% *  0.4980% (0.49   0.02   0.02) =   0.016%
          HA    LYS+  66 - HN    LYS+  38  18.21 +/- 2.66   1.789% *  0.3490% (0.34   0.02   0.02) =   0.007%
          HA    LYS+  81 - HN    LYS+  38  27.76 +/- 3.87   0.413% *  0.9175% (0.90   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    LYS+  38  28.41 +/- 3.56   0.397% *  0.3840% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 37.3:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.04  96.972% * 99.4345% (1.00  10.0   3.86  37.27) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  13.45 +/- 2.75   1.246% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    THR   39  23.37 +/- 2.94   0.273% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.97 +/- 0.51   0.476% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.46 +/- 3.05   0.246% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.23 +/- 4.27   0.359% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  23.27 +/- 2.34   0.214% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  30.43 +/- 3.28   0.098% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  28.82 +/- 4.02   0.116% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 4.2, residual support = 24.0:
      O   HA    THR   39 - HN    LEU   40   2.28 +/- 0.08  97.852% * 99.4345% (1.00  10.0   4.20  24.03) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  11.62 +/- 2.95   0.987% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   40  14.09 +/- 0.72   0.423% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.49 +/- 2.85   0.186% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  22.06 +/- 2.14   0.134% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  21.20 +/- 1.99   0.136% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.50 +/- 4.46   0.151% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  27.66 +/- 2.89   0.065% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  27.17 +/- 2.78   0.067% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 5.13, residual support = 101.5:
      O   HA    LEU   40 - HN    LEU   40   2.85 +/- 0.07  75.811% * 95.2533% (1.00  10.0   5.15 101.88) =  99.595%  kept
          HA    LYS+  99 - HN    LEU   40   7.20 +/- 4.10  11.566% *  1.7739% (0.25   1.0   1.49   9.75) =   0.283%  kept
          HA    SER   37 - HN    LEU   40   8.17 +/- 0.38   3.363% *  2.4972% (0.38   1.0   1.40   0.70) =   0.116%  kept
          HA    GLU-  15 - HN    LEU   40  13.09 +/- 4.40   1.512% *  0.0901% (0.95   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    LEU   40   8.31 +/- 0.83   3.708% *  0.0357% (0.38   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    LEU   40  16.06 +/- 5.47   1.379% *  0.0501% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   40  13.77 +/- 4.50   1.387% *  0.0357% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  16.95 +/- 3.83   0.471% *  0.0901% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  18.37 +/- 2.62   0.373% *  0.0919% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.31 +/- 1.08   0.218% *  0.0427% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.50 +/- 2.96   0.214% *  0.0392% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.5, residual support = 76.0:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  98.190% * 99.4222% (0.22  10.0   4.50  75.96) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.18 +/- 0.62   0.890% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  21.03 +/- 1.90   0.296% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   41  17.65 +/- 2.41   0.625% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 5.12, residual support = 20.6:
      O   HA    LEU   40 - HN    VAL   41   2.27 +/- 0.05  72.104% * 97.3957% (1.00  10.0   5.14  20.73) =  99.290%  kept
          HA    LYS+  99 - HN    VAL   41   5.14 +/- 3.58  24.032% *  2.0814% (0.25   1.0   1.71   0.02) =   0.707%  kept
          HA    ASN   35 - HN    VAL   41   9.13 +/- 1.10   1.271% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  14.62 +/- 2.90   0.349% *  0.0921% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.97 +/- 0.57   0.662% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  17.33 +/- 2.38   0.255% *  0.0940% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  16.46 +/- 4.90   0.425% *  0.0512% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.57 +/- 3.44   0.201% *  0.0921% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.51 +/- 3.39   0.401% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.46 +/- 0.70   0.164% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.65 +/- 2.45   0.135% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 5.49, residual support = 25.8:
        T HN    LEU   98 - HN    VAL   41   4.73 +/- 2.63 100.000% *100.0000% (0.97 10.00   5.49  25.77) = 100.000%  kept
    Distance limit 4.17 A violated in 3 structures by 1.04 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 0.149, residual support = 0.392:
          HA    PHE   72 - HN    VAL   42   5.73 +/- 2.75 100.000% *100.0000% (0.22   0.15   0.39) = 100.000%  kept
    Distance limit 4.21 A violated in 6 structures by 1.74 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.29, residual support = 29.0:
      O   HA    VAL   41 - HN    VAL   42   2.30 +/- 0.11  98.318% * 99.4222% (0.22  10.0   5.29  28.96) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.65 +/- 0.47   1.026% *  0.3413% (0.76   1.0   0.02   0.02) =   0.004%
          HA    ASP-  78 - HN    VAL   42  17.75 +/- 1.37   0.233% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  15.35 +/- 2.23   0.423% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 90.3:
      O   HA    VAL   42 - HN    VAL   42   2.91 +/- 0.02  95.089% * 99.6568% (0.87  10.0   5.46  90.28) =  99.998%  kept
          HA    GLN   17 - HN    VAL   42  13.18 +/- 4.19   1.879% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    VAL   42  19.87 +/- 2.29   0.371% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.48 +/- 0.60   0.973% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.24 +/- 2.49   0.453% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.85 +/- 0.78   0.911% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  20.00 +/- 2.17   0.324% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.02, residual support = 39.9:
      O   HA    VAL   42 - HN    VAL   43   2.22 +/- 0.03  97.849% * 99.7026% (1.00  10.0   5.02  39.86) =  99.999%  kept
          HA    THR   46 - HN    VAL   43  11.39 +/- 0.42   0.736% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  15.88 +/- 3.78   0.383% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  17.00 +/- 0.66   0.220% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.51 +/- 1.45   0.180% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.24 +/- 2.26   0.373% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.81 +/- 2.02   0.259% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 2.57, residual support = 4.95:
          HA    LYS+  74 - HN    ASP-  44   4.71 +/- 0.67  73.971% * 82.3005% (0.28   2.66   5.17) =  95.697%  kept
          HA    VAL   41 - HN    ASP-  44   8.08 +/- 0.54  17.822% * 14.5998% (0.20   0.66   0.02) =   4.090%  kept
          HA    MET   92 - HN    ASP-  44  12.22 +/- 1.41   5.165% *  1.9294% (0.87   0.02   0.02) =   0.157%  kept
          HA    HIS  122 - HN    ASP-  44  15.97 +/- 2.73   3.043% *  1.1703% (0.53   0.02   0.02) =   0.056%
    Distance limit 3.73 A violated in 5 structures by 0.93 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.91, residual support = 16.6:
      O   HA    VAL   43 - HN    ASP-  44   2.23 +/- 0.06  96.921% * 99.8182% (0.87  10.0   3.91  16.57) =  99.998%  kept
          HA    LEU   71 - HN    ASP-  44   9.67 +/- 1.40   1.677% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASP-  44  12.96 +/- 2.77   0.816% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  13.51 +/- 1.63   0.586% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.82, residual support = 39.6:
      O   HA    ASP-  44 - HN    ASP-  44   2.88 +/- 0.04  92.068% * 98.9185% (0.49  10.0   3.82  39.59) =  99.991%  kept
          HB    THR   77 - HN    ASP-  44   9.66 +/- 1.52   3.880% *  0.0835% (0.41   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HN    ASP-  44  17.16 +/- 2.72   0.543% *  0.2028% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    ASP-  44  14.89 +/- 1.13   0.715% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.18 +/- 1.36   1.425% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  18.86 +/- 1.78   0.360% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  22.36 +/- 2.98   0.270% *  0.2032% (1.00   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  16.89 +/- 2.03   0.519% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  24.84 +/- 4.09   0.220% *  0.1069% (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 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.42, residual support = 27.4:
        T HN    THR   94 - HN    PHE   45   2.67 +/- 0.62  97.391% * 99.8815% (0.84 10.00   3.42  27.35) =  99.997%  kept
          HN    GLU-  79 - HN    PHE   45  10.75 +/- 1.06   2.609% *  0.1185% (0.99  1.00   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.67, residual support = 80.0:
          QD    PHE   45 - HN    PHE   45   2.34 +/- 0.66  98.591% * 98.5536% (0.53   5.67  80.02) =  99.992%  kept
          HD2   HIS  122 - HN    PHE   45  14.06 +/- 1.96   0.696% *  0.6377% (0.97   0.02   0.02) =   0.005%
          HE22  GLN  116 - HN    PHE   45  16.71 +/- 1.88   0.444% *  0.6250% (0.95   0.02   0.02) =   0.003%
          HE22  GLN   17 - HN    PHE   45  19.87 +/- 3.37   0.270% *  0.1837% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.84 +/- 0.75 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.60 A violated in 0 structures by 0.09 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   2.91 +/- 0.03  96.265% * 99.9134% (0.99  10.0   3.95  80.02) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.70 +/- 0.36   1.500% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.48 +/- 1.08   1.695% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.39 +/- 2.24   0.539% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 18.4:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.02  92.026% * 97.3049% (1.00  10.0   4.06  18.44) =  99.911%  kept
          HB    THR   77 - HN    PHE   45   7.64 +/- 1.37   3.658% *  2.1147% (0.99   1.0   0.44  11.37) =   0.086%
          HA    ILE  103 - HN    PHE   45  13.42 +/- 1.03   0.476% *  0.0920% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  14.72 +/- 1.56   0.377% *  0.0964% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.04 +/- 1.26   0.548% *  0.0590% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45  10.36 +/- 2.92   1.727% *  0.0170% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.11 +/- 1.12   0.416% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  15.69 +/- 1.97   0.322% *  0.0436% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.00 +/- 0.70   0.190% *  0.0512% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  28.35 +/- 4.37   0.067% *  0.0971% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  25.83 +/- 3.35   0.088% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.32 +/- 1.72   0.104% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 4.39, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.38 +/- 0.28  90.783% * 91.2693% (0.22   4.40  12.39) =  99.816%  kept
          HE22  GLN   17 - HN    THR   46  20.17 +/- 4.66   1.830% *  4.4631% (0.61   0.08   0.02) =   0.098%
          HD2   HIS  122 - HN    THR   46  17.40 +/- 1.68   1.720% *  1.7644% (0.95   0.02   0.02) =   0.037%
          HE22  GLN  116 - HN    THR   46  19.22 +/- 2.66   1.533% *  1.8001% (0.97   0.02   0.02) =   0.033%
          HE22  GLN   90 - HN    THR   46  13.98 +/- 2.34   3.405% *  0.2878% (0.15   0.02   0.02) =   0.012%
          HE22  GLN   32 - HN    THR   46  24.82 +/- 3.48   0.729% *  0.4153% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.73, residual support = 3.77:
          HA    ASP-  76 - HN    THR   46   5.06 +/- 2.16  92.288% * 98.8077% (0.53   2.73   3.78) =  99.899%  kept
          HA    LEU   67 - HN    THR   46  15.69 +/- 2.78   7.712% *  1.1923% (0.87   0.02   0.02) =   0.101%  kept
    Distance limit 4.06 A violated in 7 structures by 1.41 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.96, residual support = 12.4:
      O   HA    PHE   45 - HN    THR   46   2.29 +/- 0.10  96.390% * 99.9017% (0.76  10.0   3.96  12.39) =  99.998%  kept
          HA    ASP-  78 - HN    THR   46   8.20 +/- 1.56   2.685% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    THR   46  14.61 +/- 0.71   0.390% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  14.90 +/- 3.01   0.536% *  0.0202% (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 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.3:
      O   HA    THR   46 - HN    THR   46   2.93 +/- 0.03  90.116% * 99.4016% (0.57  10.0   3.25  34.33) =  99.991%  kept
          HA    GLN   90 - HN    THR   46   9.24 +/- 2.29   5.424% *  0.0599% (0.34   1.0   0.02   0.02) =   0.004%
          HA    VAL   42 - HN    THR   46  11.91 +/- 0.39   1.359% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   46  14.40 +/- 1.73   0.855% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  13.62 +/- 3.49   1.593% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  18.94 +/- 4.65   0.501% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  25.07 +/- 1.43   0.152% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 3.46, residual support = 11.7:
          HN    THR   77 - HN    THR   46   4.11 +/- 1.77 100.000% *100.0000% (1.00   3.46  11.65) = 100.000%  kept
    Distance limit 4.71 A violated in 3 structures by 0.46 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.31, residual support = 10.8:
      O   HA    ALA   47 - HN    ALA   47   2.90 +/- 0.03  54.206% * 96.8065% (0.90  10.0   2.34  10.86) =  97.969%  kept
          HA    CYS   50 - HN    ALA   47   4.12 +/- 1.86  36.817% *  2.9393% (0.73   1.0   0.75   6.91) =   2.020%  kept
          HA    TRP   49 - HN    ALA   47   6.62 +/- 0.76   6.326% *  0.0568% (0.53   1.0   0.02  15.94) =   0.007%
          HA    VAL  108 - HN    ALA   47  12.14 +/- 1.99   1.242% *  0.0864% (0.80   1.0   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    ALA   47  13.17 +/- 2.65   0.929% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  17.38 +/- 4.00   0.480% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 12.1:
      O   HA    THR   46 - HN    ALA   47   2.54 +/- 0.18  92.272% * 99.4016% (0.57  10.0   3.07  12.12) =  99.994%  kept
          HA    GLN   90 - HN    ALA   47   9.25 +/- 1.86   4.058% *  0.0599% (0.34   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    ALA   47  11.78 +/- 1.56   1.123% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  15.28 +/- 0.69   0.442% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  12.71 +/- 4.18   1.707% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  20.88 +/- 5.11   0.329% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.55 +/- 1.59   0.069% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.831, support = 4.1, residual support = 14.1:
        T HN    TRP   49 - HN    SER   48   2.73 +/- 0.12  76.442% * 93.5631% (0.84 10.00   4.14  14.36) =  98.088%  kept
          HN    CYS   50 - HN    SER   48   4.48 +/- 0.99  21.882% *  6.3687% (0.61  1.00   1.87   0.02) =   1.911%  kept
          HN    VAL   83 - HN    SER   48  12.69 +/- 3.01   1.463% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  21.85 +/- 3.54   0.213% *  0.0461% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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   2.36 +/- 0.11  85.231% * 88.5430% (0.90  10.0   2.21   6.26) =  98.916%  kept
          HA    TRP   49 - HN    SER   48   5.24 +/- 0.11   7.997% *  8.1324% (0.53   1.0   3.13  14.36) =   0.852%  kept
          HA    CYS   50 - HN    SER   48   6.00 +/- 0.64   5.588% *  3.1440% (0.73   1.0   0.88   0.02) =   0.230%  kept
          HA    VAL  108 - HN    SER   48  14.75 +/- 1.97   0.446% *  0.0791% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.65 +/- 2.39   0.363% *  0.0678% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  18.95 +/- 4.55   0.374% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 85.7:
          HD1   TRP   49 - HN    TRP   49   2.34 +/- 0.71  93.369% * 98.2887% (0.92   4.90  85.70) =  99.982%  kept
          QE    PHE   95 - HN    TRP   49  12.19 +/- 1.25   1.813% *  0.2812% (0.65   0.02   0.02) =   0.006%
          HN    THR   23 - HN    TRP   49  19.30 +/- 4.53   1.423% *  0.2986% (0.69   0.02   0.02) =   0.005%
          HD2   HIS   22 - HN    TRP   49  20.75 +/- 5.35   0.924% *  0.3480% (0.80   0.02   0.02) =   0.004%
          HN    LEU   67 - HN    TRP   49  20.52 +/- 3.14   0.374% *  0.4260% (0.98   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    TRP   49  12.46 +/- 1.07   1.304% *  0.1084% (0.25   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    TRP   49  19.54 +/- 3.01   0.661% *  0.0860% (0.20   0.02   0.02) =   0.001%
          HD21  ASN   35 - HN    TRP   49  30.20 +/- 3.60   0.132% *  0.1631% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.14, residual support = 14.4:
        T HN    SER   48 - HN    TRP   49   2.73 +/- 0.12 100.000% *100.0000% (0.84 10.00   4.14  14.36) = 100.000%  kept
    Distance limit 3.74 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 = 0.942, support = 2.14, residual support = 6.59:
      O   HA    CYS   50 - HN    CYS   50   2.39 +/- 0.28  59.022% * 50.3469% (0.98  10.0   1.87   7.49) =  67.273%  kept
      O   HA    TRP   49 - HN    CYS   50   3.29 +/- 0.40  29.961% * 47.6815% (0.87  10.0   2.72   4.73) =  32.342%  kept
          HA    ALA   47 - HN    CYS   50   4.83 +/- 1.27   9.229% *  1.8374% (0.57   1.0   1.18   6.91) =   0.384%  kept
          HA1   GLY  109 - HN    CYS   50  14.81 +/- 2.87   0.670% *  0.0530% (0.97   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    CYS   50  19.85 +/- 4.89   0.504% *  0.0378% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.61 +/- 2.08   0.561% *  0.0246% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.72 +/- 2.36   0.054% *  0.0188% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.861, support = 4.57, residual support = 80.1:
      O   HA    TRP   49 - HN    TRP   49   2.80 +/- 0.23  59.715% * 79.3816% (0.87  10.0   4.70  85.70) =  92.656%  kept
          HA    CYS   50 - HN    TRP   49   4.56 +/- 0.43  15.706% * 12.5484% (0.98   1.0   2.80   4.73) =   3.852%  kept
          HA    ALA   47 - HN    TRP   49   3.96 +/- 0.28  22.755% *  7.8465% (0.57   1.0   3.03  15.94) =   3.490%  kept
          HA1   GLY  109 - HN    TRP   49  15.67 +/- 2.54   0.573% *  0.0883% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    TRP   49  15.25 +/- 2.17   0.724% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    TRP   49  20.06 +/- 4.83   0.416% *  0.0629% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    TRP   49  26.81 +/- 3.04   0.110% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.31, residual support = 85.7:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  95.707% * 99.6863% (0.92  10.0   2.31  85.70) =  99.998%  kept
          QE    PHE   95 - HE1   TRP   49  11.34 +/- 2.58   2.656% *  0.0240% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE1   TRP   49  21.86 +/- 5.16   0.411% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  20.94 +/- 4.15   0.579% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  20.31 +/- 4.22   0.547% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.26 +/- 4.68   0.100% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.978, support = 1.37, residual support = 1.34:
      O   HA    CYS   50 - HN    GLY   51   2.88 +/- 0.35  69.458% * 94.9823% (0.98  10.0   1.38   1.36) =  98.451%  kept
          HA    TRP   49 - HN    GLY   51   5.11 +/- 1.10  22.431% *  4.5945% (0.87   1.0   0.75   0.02) =   1.538%  kept
          HA    ALA   47 - HN    GLY   51   7.39 +/- 1.42   5.302% *  0.0797% (0.57   1.0   0.02   0.02) =   0.006%
          HA1   GLY  109 - HN    GLY   51  14.76 +/- 3.70   1.286% *  0.1358% (0.97   1.0   0.02   0.02) =   0.003%
          HA    CYS   21 - HN    GLY   51  21.36 +/- 4.97   0.616% *  0.0967% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    GLY   51  15.14 +/- 2.72   0.816% *  0.0631% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    GLY   51  28.02 +/- 2.45   0.091% *  0.0480% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 2.76, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.49 +/- 0.29  92.981% * 99.5416% (0.92  10.0   2.76  10.15) =  99.995%  kept
          HA    ALA   57 - HN    GLY   51  10.12 +/- 1.87   3.431% *  0.1069% (0.99   1.0   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    GLY   51  16.65 +/- 4.03   0.559% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  12.55 +/- 3.11   1.357% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  13.79 +/- 1.18   0.642% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.71 +/- 3.54   0.513% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  20.76 +/- 2.66   0.205% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  28.07 +/- 2.16   0.072% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.62 +/- 2.17   0.112% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  33.41 +/- 7.91   0.128% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 6.16, residual support = 31.7:
        T HN    ARG+  54 - HN    CYS   53   2.72 +/- 0.11  98.669% * 99.1159% (0.98 10.00   6.16  31.70) =  99.992%  kept
        T HN    ASP-  62 - HN    CYS   53  12.88 +/- 1.43   1.081% *  0.7343% (0.73 10.00   0.02   0.02) =   0.008%
          HN    LEU   31 - HN    CYS   53  24.59 +/- 2.97   0.164% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.48 +/- 2.54   0.086% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 6.16, residual support = 31.7:
        T HN    CYS   53 - HN    ARG+  54   2.72 +/- 0.11  96.343% * 99.6035% (0.85 10.00   6.16  31.70) =  99.997%  kept
        T HN    CYS   53 - HN    ASP-  62  12.88 +/- 1.43   1.055% *  0.1864% (0.16 10.00   0.02   0.02) =   0.002%
          HN    LEU   80 - HN    ARG+  54  17.66 +/- 4.01   0.775% *  0.0763% (0.65  1.00   0.02   0.02) =   0.001%
          HN    THR   26 - HN    ARG+  54  23.92 +/- 4.82   0.272% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.76 +/- 3.01   0.119% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  18.03 +/- 2.66   0.422% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.04 +/- 3.30   0.490% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  19.77 +/- 3.70   0.523% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.526, support = 0.02, residual support = 0.02:
          HN    TRP   87 - HN    ARG+  54  19.26 +/- 3.13  14.458% * 29.7440% (0.69   0.02   0.02) =  33.350%  kept
          HD21  ASN   69 - HN    ARG+  54  23.21 +/- 4.59  11.302% * 31.3037% (0.72   0.02   0.02) =  27.435%  kept
          HD21  ASN   69 - HN    ASP-  62  13.85 +/- 2.10  29.475% *  5.8573% (0.14   0.02   0.02) =  13.388%  kept
          HN    GLN   17 - HN    ARG+  54  23.45 +/- 4.58   6.787% * 23.1904% (0.54   0.02   0.02) =  12.205%  kept
          HN    GLN   17 - HN    ASP-  62  14.65 +/- 2.57  29.127% *  4.3392% (0.10   0.02   0.02) =   9.801%  kept
          HN    TRP   87 - HN    ASP-  62  21.59 +/- 2.22   8.851% *  5.5654% (0.13   0.02   0.02) =   3.820%  kept
    Distance limit 3.88 A violated in 20 structures by 7.61 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.91, residual support = 21.4:
          HN    PHE   55 - HN    ILE   56   2.64 +/- 0.21  92.533% * 99.1109% (0.95   3.91  21.41) =  99.994%  kept
          HN    ASP-  62 - HN    ILE   56   9.71 +/- 0.81   2.146% *  0.1653% (0.31   0.02   0.02) =   0.004%
          HN    ALA   88 - HN    ILE   56  20.64 +/- 3.06   0.265% *  0.4647% (0.87   0.02   0.02) =   0.001%
          HN    ALA   88 - HZ2   TRP   87   8.49 +/- 0.34   2.941% *  0.0202% (0.04   0.02   5.09) =   0.001%
          HN    LEU   31 - HN    ILE   56  23.69 +/- 3.06   0.166% *  0.2010% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  17.59 +/- 8.03   1.463% *  0.0087% (0.02   0.02   1.61) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.66 +/- 3.05   0.235% *  0.0220% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.38 +/- 3.14   0.251% *  0.0072% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 31.5:
          HN    ALA   57 - HN    ILE   56   3.00 +/- 0.72  92.238% * 91.8798% (0.87   5.03  31.57) =  99.656%  kept
          HE21  GLN  116 - HN    ILE   56  11.76 +/- 2.30   3.835% *  7.5147% (0.80   0.45   0.02) =   0.339%  kept
          HN    ALA  120 - HN    ILE   56  14.14 +/- 1.19   1.380% *  0.1732% (0.41   0.02   0.02) =   0.003%
          HE21  GLN   90 - HN    ILE   56  20.38 +/- 3.23   0.371% *  0.3779% (0.90   0.02   0.02) =   0.002%
          HE21  GLN   90 - HZ2   TRP   87  15.10 +/- 1.39   1.072% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.84 +/- 2.61   0.472% *  0.0159% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  25.46 +/- 3.59   0.306% *  0.0146% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  24.65 +/- 3.88   0.326% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.19 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.159, support = 4.98, residual support = 123.0:
      O   HA    ILE   56 - HN    ILE   56   2.82 +/- 0.18  83.844% * 87.7580% (0.15  10.0   5.01 123.83) =  99.344%  kept
          HA    PRO   58 - HN    ILE   56   7.40 +/- 0.60   5.157% *  8.9870% (0.95   1.0   0.33   0.02) =   0.626%  kept
          HA    THR   46 - HN    ILE   56   9.51 +/- 1.95   3.447% *  0.4554% (0.80   1.0   0.02   0.02) =   0.021%
          HA    GLN   17 - HN    ILE   56  20.45 +/- 4.10   0.461% *  0.4130% (0.73   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    ILE   56  21.51 +/- 2.17   0.213% *  0.4751% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  24.07 +/- 3.51   0.183% *  0.5489% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  27.67 +/- 5.87   0.170% *  0.5489% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  16.36 +/- 1.47   0.478% *  0.1126% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  18.41 +/- 1.62   0.328% *  0.1266% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  28.77 +/- 2.89   0.089% *  0.4130% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.00 +/- 2.43   1.152% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  18.65 +/- 5.69   0.685% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  13.95 +/- 5.21   2.483% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  21.85 +/- 3.18   0.209% *  0.0233% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  25.06 +/- 6.88   0.192% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  24.22 +/- 7.20   0.217% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  24.76 +/- 5.93   0.212% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  27.67 +/- 6.49   0.147% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.99 +/- 2.87   0.208% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  28.03 +/- 4.55   0.124% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.979, support = 5.0, residual support = 31.4:
          HN    ILE   56 - HN    ALA   57   3.00 +/- 0.72  88.171% * 87.7585% (0.98   5.03  31.57) =  99.380%  kept
          HN    LYS+ 111 - HN    ALA   57  11.80 +/- 3.45   4.090% * 11.2476% (0.90   0.70   0.02) =   0.591%  kept
          HN    LEU   63 - HN    ALA   57   8.55 +/- 0.84   6.181% *  0.3288% (0.92   0.02   0.02) =   0.026%
          HN    ALA   84 - HN    ALA   57  20.06 +/- 2.77   0.487% *  0.3194% (0.90   0.02   0.02) =   0.002%
          HD21  ASN   28 - HN    ALA   57  22.27 +/- 4.07   0.455% *  0.1099% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   57  29.27 +/- 4.22   0.168% *  0.1734% (0.49   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.84 +/- 2.61   0.448% *  0.0624% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.16 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.32, residual support = 20.2:
        T HN    PHE   60 - HN    PHE   59   2.75 +/- 0.20  92.144% * 97.7864% (0.47 10.00   4.32  20.17) =  99.976%  kept
        T HN    THR  118 - HN    PHE   59   9.43 +/- 0.95   2.598% *  0.6051% (0.29 10.00   0.02  12.40) =   0.017%
        T HN    GLU-  15 - HN    PHE   59  20.69 +/- 2.30   0.257% *  1.5803% (0.76 10.00   0.02   0.02) =   0.005%
          HN    GLN  116 - HN    PHE   59   7.86 +/- 1.04   5.001% *  0.0282% (0.14  1.00   0.02   0.53) =   0.002%
    Distance limit 3.33 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 = 0.258, support = 4.8, residual support = 56.8:
      O   HA    PHE   59 - HN    PHE   59   2.77 +/- 0.06  73.494% * 86.5269% (0.24  10.0   4.97  58.44) =  95.687%  kept
          HA    ILE   56 - HN    PHE   59   4.66 +/- 1.04  23.041% * 12.4051% (0.69   1.0   0.99  20.24) =   4.301%  kept
          HA    ASP- 113 - HN    PHE   59   9.94 +/- 1.45   1.967% *  0.2514% (0.69   1.0   0.02   0.02) =   0.007%
          HA    LEU  123 - HN    PHE   59  13.40 +/- 1.47   0.740% *  0.2245% (0.62   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    PHE   59  19.93 +/- 2.71   0.251% *  0.2779% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  23.85 +/- 3.01   0.141% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  17.46 +/- 2.27   0.367% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.45, residual support = 24.2:
      O   HA    ALA   57 - HN    ALA   57   2.62 +/- 0.23  93.942% * 99.2309% (0.76  10.0   4.45  24.16) =  99.993%  kept
          HA1   GLY   51 - HN    ALA   57  10.33 +/- 1.47   2.292% *  0.1273% (0.98   1.0   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    ALA   57  10.95 +/- 1.68   1.722% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   57  18.97 +/- 3.93   0.594% *  0.1287% (0.99   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  15.09 +/- 3.20   0.732% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   57  22.22 +/- 2.69   0.180% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.82 +/- 1.78   0.204% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.23 +/- 2.83   0.206% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  29.64 +/- 6.56   0.128% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.971, support = 4.6, residual support = 31.4:
      O   HA    ILE   56 - HN    ALA   57   3.20 +/- 0.40  70.695% * 90.7672% (0.99  10.0   4.57  31.57) =  96.903%  kept
          HA    PRO   58 - HN    ALA   57   4.74 +/- 0.26  23.225% *  8.8166% (0.34   1.0   5.64  25.37) =   3.092%  kept
          HA    ASP- 113 - HN    ALA   57  10.81 +/- 2.40   3.753% *  0.0518% (0.57   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    ALA   57  16.69 +/- 1.70   0.641% *  0.0914% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  21.91 +/- 2.39   0.285% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  19.80 +/- 2.32   0.383% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.94 +/- 3.17   0.177% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  21.98 +/- 3.30   0.440% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.71 +/- 5.41   0.401% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 5.27, residual support = 41.5:
        T HN    PHE   60 - HN    ALA   61   2.69 +/- 0.22  96.237% * 97.7864% (0.61 10.00   5.27  41.55) =  99.984%  kept
        T HN    THR  118 - HN    ALA   61  11.84 +/- 1.18   1.292% *  0.6051% (0.38 10.00   0.02   0.02) =   0.008%
        T HN    GLU-  15 - HN    ALA   61  18.08 +/- 2.07   0.408% *  1.5803% (0.98 10.00   0.02   0.02) =   0.007%
          HN    GLN  116 - HN    ALA   61  10.83 +/- 1.46   2.062% *  0.0282% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 0.548, support = 4.33, residual support = 32.0:
          QD    PHE   60 - HN    ALA   61   3.35 +/- 0.71  57.905% * 49.3540% (0.57   4.77  41.55) =  76.754%  kept
          HN    PHE   59 - HN    ALA   61   4.54 +/- 0.41  28.623% * 24.0866% (0.41   3.20   0.58) =  18.517%  kept
          QE    PHE   59 - HN    ALA   61   7.36 +/- 0.68   6.655% * 26.1097% (0.80   1.78   0.58) =   4.666%  kept
          HN    LYS+  66 - HN    ALA   61   7.71 +/- 0.84   6.409% *  0.3585% (0.98   0.02   0.02) =   0.062%
          HN    LYS+  81 - HN    ALA   61  19.36 +/- 2.86   0.408% *  0.0912% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 0.94, support = 0.909, residual support = 0.856:
          HA    PRO   58 - HN    ALA   61   3.73 +/- 0.57  70.808% * 63.1029% (0.97   0.94   0.88) =  95.163%  kept
          HA    THR   46 - HN    ALA   61   9.83 +/- 3.05   8.696% * 15.9848% (0.45   0.51   0.02) =   2.961%  kept
          HA    ILE   56 - HN    ALA   61   7.93 +/- 0.91  11.233% *  5.6025% (0.41   0.20   1.00) =   1.340%  kept
          HA    GLN   17 - HN    ALA   61  13.82 +/- 3.62   2.826% *  4.0683% (0.38   0.16   0.02) =   0.245%  kept
          HA    LEU   40 - HN    ALA   61  15.72 +/- 2.10   1.492% *  6.4646% (1.00   0.09   0.02) =   0.205%  kept
          HA    GLU-  15 - HN    ALA   61  17.44 +/- 2.01   0.881% *  1.3220% (0.95   0.02   0.02) =   0.025%
          HA    SER   13 - HN    ALA   61  21.41 +/- 3.54   0.783% *  1.3220% (0.95   0.02   0.02) =   0.022%
          HA    LEU  123 - HN    ALA   61  15.19 +/- 1.11   1.228% *  0.7353% (0.53   0.02   0.02) =   0.019%
          HA    ASN   35 - HN    ALA   61  21.60 +/- 3.09   0.609% *  0.5245% (0.38   0.02   0.02) =   0.007%
          HA    LYS+  99 - HN    ALA   61  18.42 +/- 2.52   0.881% *  0.3485% (0.25   0.02   0.02) =   0.007%
          HA    SER   37 - HN    ALA   61  22.10 +/- 2.94   0.564% *  0.5245% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.518, support = 1.47, residual support = 0.934:
          HA    ALA   57 - HN    ALA   61   4.71 +/- 1.21  61.216% * 47.2261% (0.41   1.71   1.15) =  76.054%  kept
          HA    ASP-  44 - HN    ALA   61   8.66 +/- 2.40  20.373% * 43.7662% (0.87   0.75   0.24) =  23.457%  kept
          HB    THR   77 - HN    ALA   61  14.10 +/- 3.02   3.986% *  1.2420% (0.92   0.02   0.02) =   0.130%  kept
          HA1   GLY   51 - HN    ALA   61  13.91 +/- 1.51   4.047% *  0.9770% (0.73   0.02   0.02) =   0.104%  kept
          HA    THR   39 - HN    ALA   61  17.75 +/- 2.41   2.367% *  1.1238% (0.84   0.02   0.02) =   0.070%
          HA    GLU-  79 - HN    ALA   61  16.73 +/- 3.14   2.173% *  1.2067% (0.90   0.02   0.02) =   0.069%
          HA    ILE  103 - HN    ALA   61  18.38 +/- 1.87   1.470% *  1.3188% (0.98   0.02   0.02) =   0.051%
          HA    SER   85 - HN    ALA   61  22.07 +/- 2.43   0.810% *  1.2420% (0.92   0.02   0.02) =   0.026%
          HA    MET   11 - HN    ALA   61  25.40 +/- 5.20   0.647% *  1.1238% (0.84   0.02   0.02) =   0.019%
          HA    GLU-  14 - HN    ALA   61  18.99 +/- 2.91   1.429% *  0.2076% (0.15   0.02   0.02) =   0.008%
          HA    ALA   12 - HN    ALA   61  23.09 +/- 4.29   0.780% *  0.2995% (0.22   0.02   0.02) =   0.006%
          HA    ASP-  86 - HN    ALA   61  23.21 +/- 2.41   0.702% *  0.2663% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.52 A violated in 3 structures by 0.40 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.84, residual support = 42.3:
        T HN    ASP-  62 - HN    LEU   63   2.69 +/- 0.15  96.732% * 99.7221% (0.98 10.00   5.85  42.32) =  99.998%  kept
          HN    LEU   31 - HN    LEU   63  17.09 +/- 3.07   1.010% *  0.0962% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ARG+  54 - HN    LEU   63  13.24 +/- 1.52   0.934% *  0.0939% (0.92  1.00   0.02   0.02) =   0.001%
          HN    PHE   55 - HN    LEU   63  12.91 +/- 1.22   0.970% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  18.87 +/- 2.65   0.355% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 6.85, residual support = 55.0:
        T HN    ALA   64 - HN    LEU   63   2.81 +/- 0.22 100.000% *100.0000% (0.97 10.00   6.85  54.97) = 100.000%  kept
    Distance limit 3.40 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 = 4.83, residual support = 29.2:
        T HN    LYS+  65 - HN    ALA   64   2.61 +/- 0.23 100.000% *100.0000% (0.97 10.00   4.83  29.19) = 100.000%  kept
    Distance limit 3.59 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 = 6.85, residual support = 55.0:
          HN    LEU   63 - HN    ALA   64   2.81 +/- 0.22  94.788% * 99.0088% (0.99   6.85  54.97) =  99.990%  kept
          HD21  ASN   28 - HN    ALA   64  16.78 +/- 3.55   2.033% *  0.1769% (0.61   0.02   0.02) =   0.004%
          HN    ILE   56 - HN    ALA   64  12.61 +/- 1.42   1.299% *  0.2758% (0.95   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HN    ALA   64  16.57 +/- 2.19   0.586% *  0.1769% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  18.20 +/- 3.85   0.572% *  0.1199% (0.41   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  19.08 +/- 1.91   0.366% *  0.1769% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  21.68 +/- 3.42   0.355% *  0.0649% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 4.83, residual support = 29.2:
        T HN    ALA   64 - HN    LYS+  65   2.61 +/- 0.23 100.000% *100.0000% (0.67 10.00   4.83  29.19) = 100.000%  kept
    Distance limit 3.47 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 = 0.676, support = 6.44, residual support = 30.8:
          HN    LYS+  66 - HN    LYS+  65   2.67 +/- 0.17  87.408% * 93.3228% (0.68   6.47  30.94) =  99.459%  kept
          QD    PHE   60 - HN    LYS+  65   7.03 +/- 1.05   6.939% *  6.2473% (0.39   0.75   0.02) =   0.529%  kept
          QE    PHE   59 - HN    LYS+  65   8.68 +/- 0.92   3.003% *  0.2356% (0.55   0.02   0.02) =   0.009%
          HN    PHE   59 - HN    LYS+  65   9.13 +/- 0.78   2.416% *  0.1210% (0.28   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    LYS+  65  20.09 +/- 1.97   0.234% *  0.0734% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 1.1, residual support = 4.11:
          HA    ASP-  62 - HN    LYS+  65   3.61 +/- 0.43  96.742% * 96.5558% (0.67   1.10   4.11) =  99.950%  kept
          HB    THR   26 - HN    LYS+  65  16.87 +/- 2.23   1.569% *  1.8039% (0.68   0.02   0.02) =   0.030%
          HA    SER  117 - HN    LYS+  65  15.99 +/- 1.62   1.282% *  1.3216% (0.50   0.02   0.02) =   0.018%
          HA    SER   82 - HN    LYS+  65  23.44 +/- 1.70   0.407% *  0.3187% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.47, residual support = 30.9:
        T HN    LYS+  65 - HN    LYS+  66   2.67 +/- 0.17 100.000% *100.0000% (0.97 10.00   6.47  30.94) = 100.000%  kept
    Distance limit 3.24 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 = 5.22, residual support = 117.2:
      O   HA    LYS+  66 - HN    LYS+  66   2.88 +/- 0.06  99.406% * 99.9389% (0.97  10.0   5.22 117.24) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  21.16 +/- 2.73   0.306% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  21.37 +/- 2.70   0.288% *  0.0258% (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 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0775, support = 2.98, residual support = 50.5:
          HD22  ASN   28 - HE3   TRP   27   5.33 +/- 0.27  95.895% * 94.9400% (0.08   2.99  50.66) =  99.772%  kept
          HD22  ASN   28 - HN    LEU   67  18.14 +/- 3.19   4.105% *  5.0600% (0.61   0.02   0.02) =   0.228%  kept
    Distance limit 4.48 A violated in 1 structures by 0.85 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.1, residual support = 60.3:
      O   HA    LEU   67 - HN    LEU   67   2.62 +/- 0.26  96.440% * 99.9623% (1.00  10.0   6.10  60.34) = 100.000%  kept
          HA    ASP-  76 - HN    LEU   67  14.02 +/- 1.84   0.804% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  14.07 +/- 2.09   0.806% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  11.73 +/- 3.20   1.950% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.95, residual support = 14.8:
      O   HA    LYS+  66 - HN    LEU   67   3.48 +/- 0.13  92.452% * 99.9186% (0.97  10.0   4.95  14.78) =  99.999%  kept
          HA    LYS+  66 - HE3   TRP   27  16.01 +/- 2.79   2.871% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  19.67 +/- 2.44   0.656% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  21.71 +/- 2.47   0.445% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  17.08 +/- 5.40   2.353% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.13 +/- 1.37   1.223% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 25.0:
        T HN    VAL   70 - HN    ASN   69   2.36 +/- 0.53  99.546% * 99.9644% (0.87 10.00   5.26  24.99) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.25 +/- 2.20   0.454% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.36, residual support = 59.2:
      O   HA    ASN   69 - HN    ASN   69   2.73 +/- 0.23  98.459% * 99.8231% (0.76  10.0   5.36  59.18) =  99.999%  kept
          HA    VAL   43 - HN    ASN   69  12.36 +/- 1.75   1.254% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  19.96 +/- 2.00   0.287% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.11, residual support = 59.2:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.720% * 99.9103% (0.52  10.0 10.00   3.11  59.18) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.26 +/- 1.76   0.217% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  25.89 +/- 3.74   0.064% *  0.0241% (0.12   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 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.11, residual support = 59.2:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  98.632% * 99.7566% (0.52  10.0   3.11  59.18) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  12.39 +/- 4.69   1.270% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  26.10 +/- 3.84   0.037% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  23.85 +/- 4.66   0.061% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 2.43, residual support = 50.7:
          QE    PHE   72 - HN    VAL   70   4.44 +/- 0.69  97.799% * 98.2328% (0.45   2.43  50.71) =  99.960%  kept
          HD22  ASN   28 - HN    VAL   70  16.98 +/- 2.26   2.201% *  1.7672% (0.98   0.02   0.02) =   0.040%
    Distance limit 4.47 A violated in 0 structures by 0.23 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 25.0:
        T HN    ASN   69 - HN    VAL   70   2.36 +/- 0.53  98.685% * 99.9392% (0.87 10.00   5.26  24.99) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  15.42 +/- 4.66   0.927% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.10 +/- 1.79   0.388% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.02, residual support = 1.02:
          HA    PRO   68 - HN    VAL   70   4.34 +/- 0.38 100.000% *100.0000% (0.99   1.02   1.02) = 100.000%  kept
    Distance limit 4.31 A violated in 0 structures by 0.17 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 4.04, residual support = 79.4:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.03  87.316% * 99.2525% (0.84  10.0   4.04  79.45) =  99.987%  kept
          HA    VAL   18 - HN    VAL   70   9.39 +/- 4.96   6.394% *  0.1147% (0.97   1.0   0.02   0.02) =   0.008%
          HA    GLN  116 - HN    VAL   70  15.46 +/- 2.80   0.869% *  0.0993% (0.84   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   70  15.27 +/- 1.81   0.705% *  0.1186% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   70  17.60 +/- 1.76   0.438% *  0.1165% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    VAL   70  11.17 +/- 1.98   2.108% *  0.0235% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    VAL   70  16.03 +/- 2.45   0.735% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  21.66 +/- 3.08   0.314% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  22.52 +/- 3.63   0.829% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  25.03 +/- 2.49   0.150% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  25.71 +/- 2.41   0.140% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 6.61, residual support = 139.4:
      O   HA    LEU   71 - HN    LEU   71   2.91 +/- 0.03  95.434% * 99.9402% (1.00  10.0   6.61 139.41) =  99.999%  kept
          HA    VAL   43 - HN    LEU   71   9.91 +/- 1.57   2.963% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  12.56 +/- 3.13   1.603% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.32 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 = 5.91, residual support = 34.8:
      O   HA    VAL   70 - HN    LEU   71   2.22 +/- 0.04  85.031% * 93.8891% (1.00  10.0   5.93  34.90) =  99.608%  kept
          HA    VAL   18 - HN    LEU   71   8.45 +/- 5.21   5.433% *  5.7228% (0.69   1.0   1.77   0.02) =   0.388%  kept
          HB2   SER   37 - HN    LEU   71   9.01 +/- 2.63   2.256% *  0.0457% (0.49   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LEU   71   9.34 +/- 6.25   5.537% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  16.48 +/- 3.86   0.627% *  0.0939% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.75 +/- 2.23   0.609% *  0.0814% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.97 +/- 1.60   0.313% *  0.0682% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  24.48 +/- 2.84   0.073% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  21.62 +/- 2.58   0.122% *  0.0234% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.996, support = 0.809, residual support = 0.802:
          HA    VAL   41 - HN    LEU   71   6.14 +/- 2.53  68.109% * 96.6720% (1.00   0.82   0.81) =  99.170%  kept
          HA    HIS  122 - HN    LEU   71  13.75 +/- 4.41  19.167% *  1.9835% (0.84   0.02   0.02) =   0.573%  kept
          HA    PHE   45 - HN    LEU   71  15.11 +/- 1.36  12.724% *  1.3445% (0.57   0.02   0.02) =   0.258%  kept
    Distance limit 4.05 A violated in 11 structures by 1.97 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.72, support = 2.04, residual support = 1.01:
          HN    VAL   42 - HN    LEU   71   6.65 +/- 2.23  44.762% * 32.4882% (0.61   2.26   0.89) =  44.039%  kept
          HN    ILE   19 - HN    LEU   71   8.57 +/- 4.44  31.731% * 31.7245% (0.98   1.36   1.17) =  30.485%  kept
          HN    LEU   73 - HN    LEU   71   7.35 +/- 0.21  23.507% * 35.7874% (0.61   2.48   1.05) =  25.476%  kept
    Distance limit 4.57 A violated in 1 structures by 0.69 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 5.61, residual support = 90.2:
          QD    PHE   72 - HN    PHE   72   2.32 +/- 0.50  96.155% * 89.7970% (0.45   5.63  90.40) =  99.727%  kept
          HD22  ASN   69 - HN    PHE   72   9.60 +/- 0.72   2.353% *  9.7423% (0.73   0.38   0.02) =   0.265%  kept
          QE    PHE   45 - HN    PHE   72  11.00 +/- 1.52   1.492% *  0.4607% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.80 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 = 5.02, residual support = 90.4:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.02  90.40) = 100.000%  kept
    Distance limit 4.22 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 = 5.66, residual support = 19.8:
      O   HA    LEU   71 - HN    PHE   72   2.36 +/- 0.13  92.897% * 99.9402% (1.00  10.0   5.66  19.76) =  99.998%  kept
          HA    VAL   43 - HN    PHE   72   7.47 +/- 1.54   4.640% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    PHE   72   9.47 +/- 4.09   2.462% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 0.604, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.86 +/- 1.45  20.841% * 29.8815% (0.73   0.02   0.02) =  37.489%  kept
          HA    ASP-  78 - HN    PHE   72  18.42 +/- 1.02  10.567% * 39.7133% (0.97   0.02   0.02) =  25.262%  kept
          HA    PHE   45 - HN    PHE   72  12.15 +/- 1.30  36.705% *  7.2068% (0.18   0.02   0.02) =  15.923%  kept
          HA    LEU   80 - HN    PHE   72  18.42 +/- 2.01  12.745% * 14.0368% (0.34   0.02   0.02) =  10.769%  kept
          HB    THR   23 - HN    PHE   72  15.53 +/- 2.01  19.141% *  9.1616% (0.22   0.02   0.02) =  10.556%  kept
    Distance limit 4.44 A violated in 20 structures by 6.44 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.756, support = 0.02, residual support = 0.82:
          HD21  ASN   28 - HN    LEU   73  11.09 +/- 2.54  22.953% * 30.8446% (0.98   0.02   1.35) =  34.611%  kept
          QE    PHE   60 - HN    LEU   73   8.46 +/- 2.38  38.581% * 15.3170% (0.49   0.02   1.20) =  28.889%  kept
          HZ2   TRP   87 - HN    LEU   73  15.49 +/- 4.57  14.500% * 31.1892% (0.99   0.02   0.02) =  22.108%  kept
          HN    LEU   63 - HN    LEU   73  10.54 +/- 1.38  19.112% * 12.9368% (0.41   0.02   0.02) =  12.087%  kept
          HN    ILE   56 - HN    LEU   73  16.82 +/- 3.41   4.854% *  9.7124% (0.31   0.02   0.02) =   2.304%  kept
    Distance limit 4.56 A violated in 16 structures by 2.72 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.48, residual support = 173.0:
      O   HA    LEU   73 - HN    LEU   73   2.86 +/- 0.05 100.000% *100.0000% (0.95  10.0   6.48 173.04) = 100.000%  kept
    Distance limit 3.86 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 = 5.46, residual support = 44.6:
      O   HA    PHE   72 - HN    LEU   73   2.62 +/- 0.17 100.000% *100.0000% (0.53  10.0   5.46  44.61) = 100.000%  kept
    Distance limit 3.07 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 = 0.621, support = 2.74, residual support = 4.18:
          HA    VAL   43 - HN    LEU   73   6.08 +/- 2.65  38.696% * 49.2981% (0.53   3.27   6.06) =  63.067%  kept
          HA    LEU   71 - HN    LEU   73   6.38 +/- 0.12  22.327% * 46.3115% (0.84   1.93   1.05) =  34.184%  kept
          HA    ALA   20 - HN    LEU   73   7.94 +/- 4.10  24.975% *  3.1210% (0.14   0.80   0.02) =   2.577%  kept
          HA    ASN   69 - HN    LEU   73  11.88 +/- 0.55   3.468% *  1.1560% (0.28   0.15   0.02) =   0.133%  kept
          HA    HIS   22 - HN    LEU   73  10.90 +/- 2.18  10.534% *  0.1134% (0.20   0.02   0.02) =   0.040%
    Distance limit 4.33 A violated in 1 structures by 0.53 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.126, support = 3.67, residual support = 7.73:
        T HN    CYS   21 - HN    LYS+  74   5.70 +/- 5.81  57.617% * 95.8247% (0.12 10.00   3.71   7.80) =  99.103%  kept
        T HN    ILE  119 - HN    LYS+  74  16.70 +/- 2.69  12.990% *  3.0978% (0.40 10.00   0.02   0.02) =   0.722%  kept
          HN    SER   37 - HN    LYS+  74  16.41 +/- 1.41  10.093% *  0.5176% (0.67  1.00   0.02   0.02) =   0.094%
          HN    ILE   89 - HN    LYS+  74  17.07 +/- 2.67   6.881% *  0.4381% (0.57  1.00   0.02   0.02) =   0.054%
          HN    LYS+  38 - HN    LYS+  74  16.57 +/- 1.58  12.419% *  0.1218% (0.16  1.00   0.02   0.02) =   0.027%
    Distance limit 4.20 A violated in 3 structures by 1.53 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.573, support = 4.24, residual support = 19.2:
        T HN    ILE   19 - HN    LYS+  74   7.51 +/- 5.96  36.784% * 73.0627% (0.54 10.00   3.24   7.80) =  66.659%  kept
          HN    LEU   73 - HN    LYS+  74   4.38 +/- 0.34  50.058% * 26.8326% (0.64  1.00   6.26  42.01) =  33.315%  kept
          HN    VAL   42 - HN    LYS+  74   8.24 +/- 1.84  12.379% *  0.0857% (0.64  1.00   0.02   0.02) =   0.026%
          HN    LYS+ 106 - HN    LYS+  74  18.32 +/- 2.13   0.778% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.71, residual support = 42.0:
      O   HA    LEU   73 - HN    LYS+  74   2.47 +/- 0.18 100.000% *100.0000% (0.68  10.0   5.71  42.01) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.11, residual support = 187.0:
      O   HA    LYS+  74 - HN    LYS+  74   2.88 +/- 0.03  94.890% * 99.4309% (0.20  10.0   6.11 187.00) =  99.994%  kept
          HA    VAL   41 - HN    LYS+  74   9.58 +/- 1.80   3.974% *  0.0708% (0.14   1.0   0.02   0.02) =   0.003%
          HA    MET   92 - HN    LYS+  74  16.16 +/- 1.85   0.659% *  0.3102% (0.61   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    LYS+  74  18.10 +/- 2.53   0.477% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 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 = 0.663, support = 3.25, residual support = 5.59:
          HA    ALA   20 - HN    LYS+  74   5.75 +/- 6.16  69.970% * 85.6688% (0.68   3.40   5.95) =  93.301%  kept
          HA    LEU   71 - HN    LYS+  74   7.92 +/- 1.26  30.030% * 14.3312% (0.37   1.04   0.58) =   6.699%  kept
    Distance limit 3.74 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 = 6.24, residual support = 32.1:
      O   HA    LYS+  74 - HN    VAL   75   2.24 +/- 0.07  98.908% * 99.7992% (0.61  10.0   6.24  32.09) =  99.998%  kept
          HA    MET   92 - HN    VAL   75  12.87 +/- 1.61   0.865% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  17.92 +/- 2.05   0.226% *  0.0366% (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 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.72, residual support = 35.7:
      O   HA    ASP-  76 - HN    ASP-  76   2.88 +/- 0.05  98.982% * 99.5538% (0.22  10.0   3.72  35.69) =  99.995%  kept
          HA    LEU   67 - HN    ASP-  76  14.77 +/- 2.40   1.018% *  0.4462% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 3.99 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   2.20 +/- 0.02  96.702% * 99.5919% (0.65  10.0   3.97  19.81) =  99.998%  kept
          HA    LYS+ 111 - HN    VAL  108   8.31 +/- 1.12   2.374% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    VAL  108  13.67 +/- 1.51   0.462% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  16.01 +/- 3.03   0.335% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  21.49 +/- 2.67   0.126% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.6, residual support = 28.5:
        T HN    ASP-  78 - HN    THR   77   2.61 +/- 0.15  90.168% * 96.7647% (0.98 10.00   5.61  28.59) =  99.700%  kept
          HN    VAL   75 - HN    THR   77   6.11 +/- 0.71   8.148% *  3.2180% (0.61  1.00   1.07   0.74) =   0.300%  kept
          HN    LYS+ 112 - HN    THR   77  17.17 +/- 3.84   1.684% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.61, residual support = 28.6:
        T HN    THR   77 - HN    ASP-  78   2.61 +/- 0.15 100.000% *100.0000% (1.00 10.00   5.61  28.59) = 100.000%  kept
    Distance limit 3.74 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 = 20.3:
        T HN    GLU-  79 - HN    ASP-  78   2.54 +/- 0.14  98.133% * 99.9158% (0.99 10.00   3.89  20.30) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78  10.16 +/- 1.51   1.867% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 2.98 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 = 20.3:
        T HN    ASP-  78 - HN    GLU-  79   2.54 +/- 0.14  97.124% * 99.3960% (0.56 10.00   3.89  20.30) =  99.982%  kept
          HN    VAL   75 - HN    GLU-  79   8.32 +/- 0.34   2.876% *  0.6040% (0.56  1.00   0.12   0.02) =   0.018%
    Distance limit 3.04 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 = 4.42, residual support = 56.2:
      O   HA    GLU-  79 - HN    GLU-  79   2.66 +/- 0.19  86.079% * 94.5730% (0.60  10.0   4.44  56.50) =  99.389%  kept
          HB    THR   77 - HN    GLU-  79   5.60 +/- 0.36  10.080% *  4.9413% (0.37   1.0   1.71   0.02) =   0.608%  kept
          HA    ASP-  44 - HN    GLU-  79  11.69 +/- 1.07   1.157% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.91 +/- 0.83   0.982% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  16.48 +/- 3.63   0.522% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    GLU-  79  15.88 +/- 3.79   0.655% *  0.0729% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    GLU-  79  20.18 +/- 2.87   0.258% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  22.33 +/- 2.03   0.169% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.20 +/- 4.13   0.098% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.85, residual support = 20.3:
      O   HA    ASP-  78 - HN    GLU-  79   3.57 +/- 0.09  89.450% * 98.7485% (0.08  10.0   3.85  20.30) =  99.922%  kept
          HA    PHE   45 - HN    GLU-  79   8.33 +/- 1.36   8.935% *  0.7232% (0.60   1.0   0.02   0.02) =   0.073%
          HA    VAL   41 - HN    GLU-  79  17.01 +/- 1.90   1.009% *  0.3839% (0.32   1.0   0.02   0.02) =   0.004%
          HA    HIS  122 - HN    GLU-  79  24.25 +/- 3.24   0.607% *  0.1444% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 4.69 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   2.32 +/- 0.07  99.598% * 99.8354% (0.53  10.0   4.53  10.96) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  16.12 +/- 2.35   0.402% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.00 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 = 0.574, support = 1.16, residual support = 2.02:
          HA    ALA   47 - HN    THR   77   6.93 +/- 2.42  42.398% * 88.7474% (0.57   1.19   2.08) =  97.004%  kept
          HA    CYS   50 - HN    THR   77  10.40 +/- 3.29  15.815% *  2.5716% (0.98   0.02   0.02) =   1.049%  kept
          HA    TRP   49 - HN    THR   77  11.46 +/- 2.80  12.104% *  2.2758% (0.87   0.02   0.02) =   0.710%  kept
          HA    CYS   21 - HN    THR   77  13.93 +/- 4.45  14.055% *  1.8021% (0.69   0.02   0.02) =   0.653%  kept
          HA1   GLY  109 - HN    THR   77  16.44 +/- 2.98   4.150% *  2.5319% (0.97   0.02   0.02) =   0.271%  kept
          HA    VAL  108 - HN    THR   77  14.06 +/- 2.32   6.766% *  1.1762% (0.45   0.02   0.02) =   0.205%  kept
          HA    LYS+ 102 - HN    THR   77  20.58 +/- 2.68   4.710% *  0.8949% (0.34   0.02   0.02) =   0.109%  kept
    Distance limit 4.44 A violated in 13 structures by 2.07 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.357, support = 1.04, residual support = 9.52:
          HA    THR   46 - HN    THR   77   6.31 +/- 1.78  53.836% * 42.1355% (0.25   1.19  11.65) =  81.676%  kept
          HA    VAL   42 - HN    THR   77  13.12 +/- 1.17   8.811% * 50.1086% (0.87   0.41   0.02) =  15.897%  kept
          HA    GLN   90 - HN    THR   77   9.54 +/- 2.33  23.511% *  1.9459% (0.69   0.02   0.02) =   1.647%  kept
          HA    PHE   55 - HN    THR   77  16.85 +/- 3.28   4.274% *  2.4573% (0.87   0.02   0.02) =   0.378%  kept
          HA    ALA  110 - HN    THR   77  16.48 +/- 4.27   3.822% *  1.6039% (0.57   0.02   0.02) =   0.221%  kept
          HA    SER   37 - HN    THR   77  24.96 +/- 2.49   2.913% *  0.8744% (0.31   0.02   0.02) =   0.092%
          HA    GLN   17 - HN    THR   77  19.07 +/- 4.80   2.833% *  0.8744% (0.31   0.02   0.02) =   0.089%
    Distance limit 4.34 A violated in 11 structures by 1.58 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.763, support = 4.02, residual support = 37.4:
      O   HB    THR   77 - HN    THR   77   3.24 +/- 0.43  77.293% * 97.2206% (0.76  10.0   4.03  37.49) =  99.706%  kept
          HA    GLU-  79 - HN    THR   77   6.69 +/- 0.57  10.586% *  1.9914% (0.28   1.0   1.13   0.02) =   0.280%  kept
          HA    ASP-  44 - HN    THR   77   8.29 +/- 1.08   5.257% *  0.1063% (0.84   1.0   0.02   0.02) =   0.007%
          HA    SER   85 - HN    THR   77  11.89 +/- 1.15   1.947% *  0.0972% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HN    THR   77  13.59 +/- 1.21   1.255% *  0.1019% (0.80   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    THR   77  22.68 +/- 3.32   0.511% *  0.0924% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  18.03 +/- 2.02   0.566% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    THR   77  25.80 +/- 3.94   0.383% *  0.1063% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    THR   77  14.23 +/- 2.79   1.305% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  28.13 +/- 4.46   0.209% *  0.1103% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  20.97 +/- 1.40   0.326% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  20.98 +/- 1.76   0.362% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.645, support = 5.25, residual support = 40.3:
        T HN    LEU   80 - HN    LYS+  81   3.59 +/- 0.50  82.695% * 94.5623% (0.65 10.00   5.29  40.65) =  99.207%  kept
          HN    SER   85 - HN    LYS+  81   6.62 +/- 0.29  14.932% *  4.1384% (0.45  1.00   1.26   0.02) =   0.784%  kept
        T HN    ALA   34 - HN    LYS+  81  23.50 +/- 5.46   0.492% *  1.1171% (0.76 10.00   0.02   0.02) =   0.007%
          HN    GLN   32 - HN    LYS+  81  22.11 +/- 6.37   0.776% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  81  17.99 +/- 4.22   1.105% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 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 = 4.8, residual support = 19.9:
        T HN    SER   82 - HN    LYS+  81   2.72 +/- 0.14  97.613% * 99.8569% (1.00 10.00   4.80  19.89) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  11.36 +/- 2.22   1.803% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    LYS+  81  26.40 +/- 5.19   0.143% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  22.94 +/- 5.32   0.277% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  26.32 +/- 3.21   0.164% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.78, residual support = 40.2:
      O   HA    LEU   80 - HN    LYS+  81   2.45 +/- 0.24  77.006% * 93.3097% (0.69  10.0   5.84  40.65) =  98.799%  kept
          HA    ASP-  78 - HN    LYS+  81   5.30 +/- 1.27  16.754% *  4.8187% (0.95   1.0   0.75   0.02) =   1.110%  kept
          HA    THR   23 - HN    LYS+  81  15.28 +/- 8.11   3.664% *  1.7623% (0.98   1.0   0.26   0.02) =   0.089%
          HB    THR   23 - HN    LYS+  81  16.90 +/- 7.94   2.471% *  0.0715% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  24.87 +/- 3.49   0.105% *  0.0378% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 111.6:
      O   HA    LYS+  81 - HN    LYS+  81   2.75 +/- 0.05  98.080% * 99.7055% (0.99  10.0   5.37 111.57) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  20.14 +/- 4.39   0.499% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  18.52 +/- 6.57   0.971% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  29.28 +/- 5.31   0.123% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  33.44 +/- 4.27   0.084% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  22.99 +/- 2.87   0.242% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.17, residual support = 34.7:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.03  96.314% * 98.7108% (0.25  10.0   4.17  34.68) =  99.988%  kept
          HA    GLU-  25 - HN    SER   82  18.62 +/- 8.21   1.731% *  0.3170% (0.80   1.0   0.02   0.02) =   0.006%
          HA    CYS   53 - HN    SER   82  19.71 +/- 4.30   0.834% *  0.3880% (0.98   1.0   0.02   0.02) =   0.003%
          HA    ILE   19 - HN    SER   82  21.96 +/- 6.06   0.285% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  20.81 +/- 7.72   0.715% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  26.89 +/- 2.75   0.120% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.31, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  24.84 +/- 4.22  34.765% * 67.5049% (0.41   0.02   0.02) =  52.541%  kept
          HB    THR   23 - HN    SER   82  17.98 +/- 8.27  65.235% * 32.4951% (0.20   0.02   0.02) =  47.459%  kept
    Distance limit 4.32 A violated in 20 structures by 12.30 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   2.67 +/- 0.09  99.171% * 99.9274% (1.00 10.00   5.62  19.00) =  99.999%  kept
          HN    CYS   50 - HN    SER   82  16.26 +/- 4.05   0.829% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 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 = 4.8, residual support = 19.9:
          HN    LYS+  81 - HN    SER   82   2.72 +/- 0.14  97.553% * 99.3746% (1.00   4.80  19.89) =  99.997%  kept
          QD    PHE   60 - HN    SER   82  17.36 +/- 2.70   0.476% *  0.3323% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  17.29 +/- 6.63   1.295% *  0.0924% (0.22   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    SER   82  21.98 +/- 3.97   0.466% *  0.0727% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  22.69 +/- 2.59   0.210% *  0.1281% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 7.51, residual support = 40.1:
        T HN    ALA   84 - HN    VAL   83   2.62 +/- 0.05  98.755% * 99.6823% (0.75 10.00   7.51  40.12) =  99.999%  kept
          HE21  GLN   32 - HN    VAL   83  24.88 +/- 8.37   0.365% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.49 +/- 3.74   0.414% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  22.52 +/- 3.24   0.218% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.75 +/- 2.67   0.248% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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   2.67 +/- 0.09  97.110% * 99.8569% (0.75 10.00   5.62  19.00) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83  10.38 +/- 1.67   2.136% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    VAL   83  20.45 +/- 6.38   0.491% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  26.71 +/- 5.96   0.132% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.90 +/- 2.96   0.131% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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   2.84 +/- 0.05  97.990% * 99.8725% (0.99 10.00   3.77  20.70) =  99.999%  kept
          HN    GLN   32 - HN    ALA   84  22.06 +/- 6.58   0.452% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ALA   84  12.65 +/- 1.49   1.254% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  23.32 +/- 5.71   0.304% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.51, residual support = 40.1:
        T HN    VAL   83 - HN    ALA   84   2.62 +/- 0.05  98.554% * 99.9274% (1.00 10.00   7.51  40.12) =  99.999%  kept
          HN    CYS   50 - HN    ALA   84  14.05 +/- 3.57   1.446% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.24, residual support = 5.52:
          HA    LYS+  81 - HN    ALA   84   3.26 +/- 0.15  95.885% * 95.6564% (0.80   2.24   5.52) =  99.975%  kept
          HA    ASN   28 - HN    ALA   84  18.50 +/- 6.74   1.578% *  0.5197% (0.49   0.02   0.02) =   0.009%
          HA    ARG+  54 - HN    ALA   84  19.53 +/- 3.65   0.698% *  1.0303% (0.97   0.02   0.02) =   0.008%
          HA    LEU  115 - HN    ALA   84  21.15 +/- 2.53   0.410% *  0.4786% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   84  29.14 +/- 5.44   0.206% *  0.7333% (0.69   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   84  23.47 +/- 6.67   0.748% *  0.1870% (0.18   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ALA   84  24.21 +/- 5.03   0.365% *  0.3295% (0.31   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   84  32.74 +/- 3.55   0.110% *  1.0652% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 0.524, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  18.82 +/- 4.01  24.394% * 27.0775% (0.70   0.02   0.02) =  37.701%  kept
          HA    GLU-  25 - HN    VAL   83  18.28 +/- 7.92  24.842% * 13.1508% (0.34   0.02   0.02) =  18.646%  kept
          HA    THR   26 - HN    VAL   83  20.24 +/- 7.70  14.636% * 21.2999% (0.55   0.02   0.02) =  17.792%  kept
          HA    ILE   19 - HN    VAL   83  21.13 +/- 6.35  12.729% * 20.1488% (0.52   0.02   0.02) =  14.638%  kept
          HA1   GLY  101 - HN    VAL   83  22.95 +/- 7.50  16.501% *  7.3142% (0.19   0.02   0.02) =   6.889%  kept
          HA    GLU- 114 - HN    VAL   83  25.32 +/- 2.87   6.898% * 11.0089% (0.28   0.02   0.02) =   4.334%  kept
    Distance limit 4.31 A violated in 20 structures by 8.15 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   4.29 +/- 0.07  56.075% * 97.9507% (0.58 10.00   2.59   5.12) =  98.810%  kept
          HN    LEU   80 - HN    VAL   83   4.92 +/- 0.62  39.976% *  1.6395% (0.26  1.00   0.75   0.14) =   1.179%  kept
        T HN    CYS   53 - HN    VAL   83  18.59 +/- 3.86   1.717% *  0.2245% (0.13 10.00   0.02   0.02) =   0.007%
          HN    GLN   32 - HN    VAL   83  21.30 +/- 7.53   1.397% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  22.70 +/- 6.60   0.835% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.40 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 = 4.15, residual support = 10.2:
          HN    SER   82 - HN    ALA   84   3.89 +/- 0.11  83.163% * 99.2156% (0.87   4.15  10.19) =  99.925%  kept
          HN    GLN   90 - HN    ALA   84   7.91 +/- 1.87  15.447% *  0.3787% (0.69   0.02   0.02) =   0.071%
          HN    ILE  103 - HN    ALA   84  20.48 +/- 5.58   1.075% *  0.2683% (0.49   0.02   0.02) =   0.003%
          HN    GLY   16 - HN    ALA   84  26.90 +/- 5.15   0.315% *  0.1375% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.44 +/- 0.10  99.150% * 97.4523% (0.80   3.33  13.44) =  99.996%  kept
          HN    GLN   30 - HN    SER   85  22.46 +/- 6.58   0.245% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    SER   85  23.13 +/- 5.11   0.178% *  0.4732% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  22.48 +/- 7.04   0.262% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  26.11 +/- 3.37   0.094% *  0.5311% (0.73   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  30.01 +/- 4.26   0.070% *  0.6345% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.40 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   2.84 +/- 0.05  94.629% * 97.8179% (0.90   3.77  20.70) =  99.989%  kept
          HZ2   TRP   87 - HN    SER   85   9.14 +/- 0.60   2.958% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    SER   85  18.03 +/- 7.40   1.414% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    ILE   56 - HN    SER   85  21.46 +/- 3.34   0.290% *  0.5672% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    SER   85  21.70 +/- 2.54   0.251% *  0.5190% (0.90   0.02   0.02) =   0.001%
          HN    LEU   63 - HN    SER   85  22.13 +/- 2.30   0.227% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  27.47 +/- 7.86   0.231% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.38 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   4.29 +/- 0.07  95.888% * 99.9526% (0.87 10.00   2.59   5.12) =  99.998%  kept
          HN    CYS   50 - HN    SER   85  15.30 +/- 3.54   4.112% *  0.0474% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.18 A violated in 0 structures by 0.12 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   2.83 +/- 0.02  77.399% * 92.5594% (0.99  10.0   3.65  18.03) =  98.603%  kept
          HA    ASP-  86 - HN    SER   85   4.92 +/- 0.11  14.764% *  6.8321% (0.45   1.0   3.26  13.44) =   1.388%  kept
          HB    THR   77 - HN    SER   85   8.53 +/- 1.80   4.372% *  0.0926% (0.99   1.0   0.02   0.02) =   0.006%
          HA    GLU-  79 - HN    SER   85  10.30 +/- 0.46   1.634% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  15.64 +/- 1.82   0.523% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  21.26 +/- 5.32   0.321% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.26 +/- 3.82   0.464% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  34.68 +/- 4.59   0.054% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  27.06 +/- 3.03   0.101% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  21.22 +/- 2.98   0.211% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  32.37 +/- 4.68   0.073% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  30.05 +/- 4.03   0.083% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.588, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    SER   85  18.61 +/- 3.53  20.613% * 14.2963% (0.61   0.02   0.02) =  27.647%  kept
          HA    THR   26 - HN    SER   85  23.00 +/- 6.75   9.226% * 23.1039% (0.98   0.02   0.02) =  19.998%  kept
          HA1   GLY  101 - HN    SER   85  24.70 +/- 7.08  11.076% * 13.3446% (0.57   0.02   0.02) =  13.866%  kept
          HA    GLU- 114 - HN    SER   85  25.17 +/- 2.27   5.833% * 17.1158% (0.73   0.02   0.02) =   9.366%  kept
          HA    ASN   28 - HN    SER   85  20.24 +/- 7.12  16.880% *  5.2476% (0.22   0.02   0.02) =   8.310%  kept
          HA    ILE   19 - HN    SER   85  23.66 +/- 5.37   8.153% *  8.0401% (0.34   0.02   0.02) =   6.150%  kept
          HA    GLU-  25 - HN    SER   85  20.81 +/- 7.07  14.584% *  4.1279% (0.18   0.02   0.02) =   5.648%  kept
          HA    LEU  115 - HN    SER   85  22.72 +/- 2.41   8.255% *  5.8774% (0.25   0.02   0.02) =   4.552%  kept
          HA    ALA   34 - HN    SER   85  26.25 +/- 5.32   5.378% *  8.8463% (0.38   0.02   0.02) =   4.464%  kept
    Distance limit 3.87 A violated in 20 structures by 9.26 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.44 +/- 0.10  99.020% * 99.7141% (0.99 10.00   3.33  13.44) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  24.70 +/- 6.73   0.173% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  23.31 +/- 7.65   0.264% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  14.21 +/- 1.43   0.543% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.935, support = 3.72, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.70 +/- 0.12  95.122% * 73.5202% (0.95   3.71  22.71) =  98.322%  kept
          HE3   TRP   87 - HN    ASP-  86   7.49 +/- 0.30   4.644% * 25.6752% (0.31   3.97  22.71) =   1.676%  kept
          HD21  ASN   69 - HN    ASP-  86  27.13 +/- 4.11   0.123% *  0.3867% (0.92   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    ASP-  86  27.95 +/- 5.53   0.111% *  0.4179% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 40.2:
      O   HA    ASP-  86 - HN    ASP-  86   2.74 +/- 0.04  60.607% * 79.5813% (0.87  10.0   4.16  42.53) =  91.505%  kept
      O   HA    SER   85 - HN    ASP-  86   3.54 +/- 0.03  27.954% * 14.1556% (0.15  10.0   3.26  13.44) =   7.507%  kept
          HA    TRP   87 - HN    ASP-  86   5.24 +/- 0.10   8.729% *  5.9605% (0.28   1.0   4.67  22.71) =   0.987%  kept
          HB    THR   77 - HN    ASP-  86   9.49 +/- 1.72   2.010% *  0.0142% (0.15   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    ASP-  86  23.13 +/- 5.54   0.160% *  0.0885% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  15.56 +/- 2.25   0.391% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  30.11 +/- 4.39   0.058% *  0.0847% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  32.44 +/- 5.17   0.051% *  0.0766% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  34.76 +/- 4.95   0.039% *  0.0204% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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   2.70 +/- 0.12  98.540% * 98.4399% (1.00   3.71  22.71) =  99.995%  kept
          HN    GLN   30 - HN    TRP   87  21.93 +/- 6.58   0.374% *  0.5305% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    TRP   87  22.23 +/- 6.87   0.369% *  0.3861% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  99 - HN    TRP   87  20.60 +/- 5.55   0.437% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  24.30 +/- 3.46   0.177% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  29.63 +/- 4.48   0.104% *  0.2798% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.812, support = 4.06, residual support = 67.7:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.01  64.489% * 78.1363% (0.90  10.0   4.16  74.44) =  86.914%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.05  34.920% * 21.7248% (0.25  10.0   3.39  22.71) =  13.085%  kept
          HA    LEU  104 - HN    TRP   87  21.40 +/- 5.28   0.277% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  22.37 +/- 2.21   0.161% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  29.70 +/- 4.07   0.079% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.26 +/- 5.14   0.073% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 1.89, residual support = 74.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  87.504% * 73.3543% (0.28  10.0   1.87  74.44) =  96.223%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.757% * 25.7520% (0.73   1.0   2.51  74.44) =   3.766%  kept
          HN    ALA   91 - HE1   TRP   87  10.99 +/- 0.76   1.273% *  0.2801% (0.99   1.0   0.02   0.02) =   0.005%
          HN    TRP   27 - HE1   TRP   87  17.30 +/- 7.31   0.950% *  0.2535% (0.90   1.0   0.02   2.33) =   0.004%
          HN    ALA   61 - HE1   TRP   87  18.73 +/- 2.86   0.294% *  0.2728% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  22.70 +/- 5.15   0.222% *  0.0872% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.798, support = 0.747, residual support = 2.32:
          HZ2   TRP   27 - HE1   TRP   87  13.11 +/- 8.18  59.261% * 99.3453% (0.80   0.75   2.33) =  99.549%  kept
          HZ    PHE   72 - HE1   TRP   87  15.98 +/- 3.23  40.739% *  0.6547% (0.20   0.02   0.02) =   0.451%  kept
    Distance limit 4.24 A violated in 13 structures by 6.86 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.314, support = 2.94, residual support = 4.77:
      O   HA    TRP   87 - HN    ALA   88   3.28 +/- 0.10  31.324% * 88.7143% (0.28  10.0   3.09   5.09) =  93.725%  kept
          HA    ASP-  86 - HN    ALA   88   4.05 +/- 0.23  18.019% * 10.1841% (0.87   1.0   0.74   0.02) =   6.189%  kept
          HA    SER   85 - HN    ALA   88   2.86 +/- 0.27  48.191% *  0.0492% (0.15   1.0   0.02   0.02) =   0.080%
          HB    THR   77 - HN    ALA   88   9.34 +/- 1.76   1.831% *  0.0492% (0.15   1.0   0.02   0.02) =   0.003%
          HA    LEU  104 - HN    ALA   88  22.54 +/- 4.80   0.137% *  0.3079% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   88  14.89 +/- 2.00   0.381% *  0.0631% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  31.04 +/- 3.65   0.044% *  0.2945% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  33.61 +/- 4.87   0.041% *  0.2665% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  35.99 +/- 4.86   0.032% *  0.0710% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.601, support = 0.838, residual support = 17.6:
          HA    TRP   87 - HN    ILE   89   4.25 +/- 0.56  74.423% * 76.7838% (0.61   0.88  18.86) =  93.503%  kept
          HA    ASP-  86 - HN    ILE   89   6.39 +/- 0.64  23.257% * 16.9089% (0.53   0.22   0.02) =   6.435%  kept
          HA    LEU  104 - HN    ILE   89  21.64 +/- 3.93   0.866% *  2.7200% (0.95   0.02   0.02) =   0.039%
          HA    GLU-  14 - HN    ILE   89  29.97 +/- 3.68   0.366% *  1.7440% (0.61   0.02   0.02) =   0.010%
          HA    ALA   12 - HN    ILE   89  32.73 +/- 5.01   0.378% *  1.3996% (0.49   0.02   0.02) =   0.009%
          HA    PHE   59 - HN    ILE   89  21.22 +/- 2.02   0.709% *  0.4437% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.33 A violated in 0 structures by 0.13 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.74, residual support = 31.9:
          HN    ALA   91 - HN    GLN   90   2.83 +/- 0.27  96.289% * 95.4593% (0.92   6.75  31.91) =  99.876%  kept
          HE3   TRP   87 - HN    GLN   90   9.87 +/- 0.64   2.788% *  4.0054% (0.97   0.27   0.02) =   0.121%  kept
          HN    ALA   61 - HN    GLN   90  18.26 +/- 3.09   0.460% *  0.2958% (0.97   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    GLN   90  21.32 +/- 5.11   0.341% *  0.1859% (0.61   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    GLN   90  27.39 +/- 4.47   0.121% *  0.0537% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.375, support = 5.36, residual support = 91.0:
      O   HA    GLN   90 - HN    GLN   90   2.48 +/- 0.33  85.566% * 68.5433% (0.34  10.0   5.49  95.06) =  93.560%  kept
          HA    ALA   91 - HN    GLN   90   5.05 +/- 0.29  13.016% * 31.0029% (0.87   1.0   3.56  31.91) =   6.437%  kept
          HA    VAL  107 - HN    GLN   90  16.70 +/- 1.53   0.352% *  0.1939% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    GLN   90  15.11 +/- 3.21   0.590% *  0.0901% (0.45   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    GLN   90  21.31 +/- 5.26   0.219% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.81 +/- 2.53   0.256% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 95.1:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.949% * 99.0596% (0.92  10.0 10.00   1.00  95.06) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  32.72 +/- 6.89   0.025% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  30.67 +/- 5.29   0.026% *  0.0441% (0.41   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 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 95.1:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.525% * 99.4024% (0.76  10.0   1.00  95.06) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   7.85 +/- 1.07   1.270% *  0.0646% (0.25   1.0   0.02   3.60) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  12.37 +/- 3.12   0.836% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  22.18 +/- 3.18   0.057% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  33.00 +/- 5.90   0.019% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  17.87 +/- 2.33   0.107% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  25.73 +/- 4.55   0.039% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  32.72 +/- 6.89   0.024% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  28.19 +/- 2.94   0.028% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  29.72 +/- 4.63   0.028% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  30.75 +/- 5.11   0.033% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.45 +/- 5.17   0.034% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 31.9:
        T HN    GLN   90 - HN    ALA   91   2.83 +/- 0.27  93.295% * 99.6698% (0.95 10.00   6.75  31.91) =  99.998%  kept
          HN    GLY  109 - HN    ALA   91  11.10 +/- 1.71   2.128% *  0.0554% (0.53  1.00   0.02   0.02) =   0.001%
        T HN    GLN   90 - HN    TRP   27  21.32 +/- 5.11   0.330% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.91 +/- 1.28   1.258% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.39 +/- 2.64   0.252% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.39 +/- 3.93   0.735% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  17.89 +/- 7.70   1.764% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  22.92 +/- 2.39   0.239% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.478, support = 0.02, residual support = 7.84:
          HA    LEU   73 - HN    ALA   91  17.98 +/- 2.92  22.520% * 89.0027% (0.65   0.02   0.02) =  70.170%  kept
          HA    LEU   73 - HN    TRP   27   9.42 +/- 2.49  77.480% * 10.9973% (0.08   0.02  26.23) =  29.830%  kept
    Distance limit 4.43 A violated in 20 structures by 4.80 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 3.38, residual support = 25.5:
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.02  45.038% * 89.2967% (1.00  10.0   3.12  14.47) =  88.067%  kept
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.05  52.086% * 10.4606% (0.12  10.0   5.30 107.19) =  11.931%  kept
          HA    PRO   52 - HN    ALA   91  13.64 +/- 3.76   0.952% *  0.0305% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ALA   91  15.45 +/- 1.14   0.322% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   91  13.36 +/- 3.31   0.908% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  21.15 +/- 4.01   0.160% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.76 +/- 3.18   0.162% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.49 +/- 3.60   0.152% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.98 +/- 4.48   0.120% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  25.08 +/- 3.69   0.102% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 3.66, residual support = 14.6:
          HN    ALA   91 - HN    MET   92   4.22 +/- 0.36  83.322% * 98.2803% (0.99   3.66  14.64) =  99.932%  kept
          HE3   TRP   87 - HN    MET   92  12.16 +/- 2.10   7.258% *  0.3933% (0.73   0.02   0.02) =   0.035%
          HN    ALA   61 - HN    MET   92  15.33 +/- 3.39   2.788% *  0.5228% (0.97   0.02   0.02) =   0.018%
          HD1   TRP   87 - HN    MET   92  10.91 +/- 1.72   5.530% *  0.1506% (0.28   0.02   0.02) =   0.010%
          HN    TRP   27 - HN    MET   92  21.26 +/- 3.11   0.749% *  0.4858% (0.90   0.02   0.02) =   0.004%
          HN    THR   39 - HN    MET   92  26.36 +/- 1.67   0.353% *  0.1672% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.99 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 = 4.51, residual support = 63.1:
      O   HA    MET   92 - HN    MET   92   2.82 +/- 0.05  83.443% * 99.1845% (0.25  10.0   4.52  63.14) =  99.979%  kept
          HA    PHE   45 - HN    MET   92   8.17 +/- 1.86  16.138% *  0.0992% (0.25   1.0   0.02   0.02) =   0.019%
          HA    VAL   41 - HN    MET   92  19.27 +/- 1.48   0.271% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    MET   92  23.67 +/- 1.50   0.148% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 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 = 3.66, residual support = 14.6:
      O   HA    ALA   91 - HN    MET   92   2.44 +/- 0.20  95.812% * 99.6892% (0.80  10.0   3.66  14.64) =  99.997%  kept
          HA    PRO   52 - HN    MET   92  12.11 +/- 3.81   1.381% *  0.0855% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  12.77 +/- 1.24   0.793% *  0.0805% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    MET   92  12.14 +/- 3.02   1.814% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  20.86 +/- 3.18   0.200% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 3.41, residual support = 27.3:
        T HN    PHE   45 - HN    THR   94   2.67 +/- 0.62  92.083% * 97.6963% (0.95 10.00   3.42  27.35) =  99.798%  kept
          HN    ALA  110 - HN    THR   94   8.46 +/- 2.51   7.917% *  2.3037% (1.00  1.00   0.45   0.02) =   0.202%  kept
    Distance limit 4.25 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   9.36 +/- 0.55 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.36 A violated in 20 structures by 5.00 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.08, residual support = 15.7:
      O   HA    PRO   93 - HN    THR   94   2.18 +/- 0.05  98.190% * 99.9112% (0.22  10.0   4.08  15.66) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.23 +/- 1.50   1.810% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.29 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 = 0.942, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.09 +/- 0.17  78.118% * 54.6147% (1.00   0.02   0.02) =  86.618%  kept
          HA    LYS+  74 - HN    THR   94  10.06 +/- 0.87  18.678% * 33.1992% (0.61   0.02   0.02) =  12.589%  kept
          HA    HIS  122 - HN    THR   94  18.42 +/- 1.89   3.204% * 12.1862% (0.22   0.02   0.02) =   0.793%  kept
    Distance limit 3.77 A violated in 20 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.1, residual support = 44.1:
          HN    VAL  107 - HN    PHE   95   3.62 +/- 0.55  98.119% * 99.0979% (0.97   2.10  44.08) =  99.983%  kept
          HN    GLY   51 - HN    PHE   95  14.76 +/- 1.87   1.881% *  0.9021% (0.92   0.02   0.02) =   0.017%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   2.73 +/- 0.72  93.508% * 99.3368% (0.87   3.86  73.46) =  99.980%  kept
          HN    ALA   47 - HN    PHE   95  10.89 +/- 1.12   2.328% *  0.5151% (0.87   0.02   0.02) =   0.013%
          QE    PHE   72 - HN    PHE   95  10.19 +/- 1.88   4.165% *  0.1481% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.32, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.32  73.46) = 100.000%  kept
    Distance limit 4.30 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 = 14.7:
      O   HA    THR   94 - HN    PHE   95   2.27 +/- 0.11  97.831% * 99.8515% (0.65  10.0   3.16  14.71) =  99.999%  kept
          HA    LYS+  74 - HN    PHE   95  11.69 +/- 0.79   0.785% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.43 +/- 0.24   1.384% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.03 100.000% *100.0000% (0.95  10.0   3.99  11.98) = 100.000%  kept
    Distance limit 3.13 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 = 115.5:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  96.425% * 99.9800% (0.94  10.0   4.09 115.45) =  99.999%  kept
          HA    PHE   72 - HN    MET   96  10.29 +/- 2.42   3.575% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.93 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 = 4.88, residual support = 59.5:
        T HN    ASP- 105 - HN    PHE   97   3.50 +/- 0.43  98.190% * 99.9802% (1.00 10.00   4.88  59.55) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  17.62 +/- 4.07   1.810% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.04, residual support = 61.8:
          QD    PHE   97 - HN    PHE   97   3.38 +/- 0.73  87.443% * 93.6939% (0.80   4.07  62.32) =  99.182%  kept
          HZ3   TRP   87 - HN    PHE   97  12.61 +/- 6.09  11.481% *  5.8459% (0.87   0.23   0.02) =   0.812%  kept
          HE3   TRP   49 - HN    PHE   97  21.14 +/- 3.58   1.076% *  0.4602% (0.80   0.02   0.02) =   0.006%
    Distance limit 3.54 A violated in 0 structures by 0.19 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.0, residual support = 10.7:
          HA    LYS+ 106 - HN    PHE   97   3.37 +/- 0.43 100.000% *100.0000% (0.98   3.00  10.66) = 100.000%  kept
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.5:
      O   HA    MET   96 - HN    PHE   97   2.26 +/- 0.06  99.080% * 99.9800% (0.99  10.0   6.07  44.53) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  12.27 +/- 2.70   0.920% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.49, residual support = 25.8:
        T HN    VAL   41 - HN    LEU   98   4.73 +/- 2.63 100.000% *100.0000% (0.69 10.00   5.49  25.77) = 100.000%  kept
    Distance limit 3.97 A violated in 3 structures by 1.12 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.03, residual support = 76.5:
      O   HA    LEU   98 - HN    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.03  76.52) = 100.000%  kept
    Distance limit 4.18 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   2.22 +/- 0.05 100.000% *100.0000% (0.98  10.0   3.36  10.68) = 100.000%  kept
    Distance limit 3.13 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 = 1.48, residual support = 4.93:
          HA    LEU   40 - HN    LEU   98   6.47 +/- 2.80  23.625% * 68.2966% (0.53   2.06   9.44) =  50.107%  kept
          HA    VAL   42 - HN    LEU   98   4.05 +/- 1.89  62.826% * 25.3325% (0.45   0.90   0.41) =  49.425%  kept
          HA    THR   46 - HN    LEU   98  15.99 +/- 0.96   4.523% *  1.2478% (0.99   0.02   0.02) =   0.175%  kept
          HA    SER   37 - HN    LEU   98  14.87 +/- 2.13   2.117% *  1.2150% (0.97   0.02   0.02) =   0.080%
          HA    GLN   17 - HN    LEU   98  17.21 +/- 3.64   2.052% *  1.2150% (0.97   0.02   0.02) =   0.077%
          HA    GLU-  15 - HN    LEU   98  17.88 +/- 2.57   1.970% *  0.9142% (0.73   0.02   0.02) =   0.056%
          HA    PRO   58 - HN    LEU   98  17.64 +/- 2.43   1.734% *  0.8648% (0.69   0.02   0.02) =   0.047%
          HA    SER   13 - HN    LEU   98  21.74 +/- 3.15   1.153% *  0.9142% (0.73   0.02   0.02) =   0.033%
    Distance limit 4.43 A violated in 2 structures by 0.46 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.824, support = 1.07, residual support = 1.17:
          HN    LYS+ 102 - HN    LYS+  99   3.65 +/- 0.63  65.925% * 54.2849% (0.95   0.71   1.29) =  84.206%  kept
          HN    ASP- 105 - HN    LYS+  99   6.26 +/- 0.34  15.505% * 42.8668% (0.18   3.03   0.57) =  15.639%  kept
          HN    THR   39 - HN    LYS+  99  10.85 +/- 3.29   4.568% *  0.6056% (0.38   0.02   0.02) =   0.065%
          HN    GLU-  36 - HN    LYS+  99  13.81 +/- 2.74   1.920% *  1.2921% (0.80   0.02   0.02) =   0.058%
          HD1   TRP   87 - HN    LYS+  99  19.41 +/- 5.41   0.912% *  0.6634% (0.41   0.02   0.02) =   0.014%
          HN    GLU-  36 - HN    GLN   30   9.33 +/- 0.66   4.756% *  0.0849% (0.05   0.02   0.02) =   0.010%
          HN    THR   39 - HN    GLN   30  11.04 +/- 1.28   3.252% *  0.0398% (0.02   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    GLN   30  16.57 +/- 3.76   1.161% *  0.1003% (0.06   0.02   0.02) =   0.003%
          HD1   TRP   87 - HN    GLN   30  20.51 +/- 6.60   0.922% *  0.0436% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  17.96 +/- 3.13   1.079% *  0.0186% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.32 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.26, residual support = 17.7:
      O   HA    LEU   98 - HN    LYS+  99   2.30 +/- 0.08  99.540% * 99.9934% (0.99  10.0   4.26  17.72) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.13 +/- 2.86   0.460% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 174.4:
      O   HA    LYS+  99 - HN    LYS+  99   2.92 +/- 0.02  87.916% * 99.5300% (0.80  10.0   5.23 174.46) =  99.995%  kept
          HA    ASN   35 - HN    LYS+  99  11.66 +/- 3.65   2.992% *  0.0804% (0.65   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    LYS+  99  18.89 +/- 3.24   0.466% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  20.02 +/- 6.75   0.542% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.57 +/- 1.48   0.226% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  23.04 +/- 2.10   0.193% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.48 +/- 0.73   2.021% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  20.09 +/- 5.66   0.512% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.83 +/- 3.02   1.481% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  23.54 +/- 5.99   2.307% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.18 +/- 3.50   0.583% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  25.58 +/- 4.56   0.213% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.03 +/- 3.99   0.220% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  22.87 +/- 6.47   0.327% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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   3.44 +/- 0.52  75.074% * 99.8871% (1.00 10.00   3.61  14.93) =  99.962%  kept
          HN    LEU   40 - HN    GLU- 100   7.54 +/- 4.57  24.926% *  0.1129% (0.14  1.00   0.17   0.02) =   0.038%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 39.7:
      O   HA    LYS+  99 - HN    GLU- 100   2.23 +/- 0.06  72.756% * 99.2140% (0.99  10.0   6.83  39.76) =  99.869%  kept
          HA    LEU   40 - HN    GLU- 100   5.86 +/- 4.67  22.433% *  0.4030% (0.20   1.0   0.41   0.02) =   0.125%  kept
          HA    ASN   35 - HN    GLU- 100   8.86 +/- 4.13   4.356% *  0.0924% (0.92   1.0   0.02   0.02) =   0.006%
          HA    LEU  123 - HN    GLU- 100  20.49 +/- 7.00   0.195% *  0.0802% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  23.85 +/- 1.41   0.063% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.84 +/- 2.30   0.058% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.10 +/- 3.56   0.138% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.98 +/- 0.86  86.785% * 98.8257% (0.95   3.14  12.53) =  99.956%  kept
          HN    GLU-  36 - HN    GLY  101  12.51 +/- 3.91   3.029% *  0.5336% (0.80   0.02   0.02) =   0.019%
          HN    THR   39 - HN    GLY  101  10.37 +/- 4.23   6.407% *  0.2501% (0.38   0.02   0.02) =   0.019%
          HN    ASP- 105 - HN    GLY  101   9.76 +/- 0.57   3.299% *  0.1167% (0.18   0.02   0.02) =   0.004%
          HD1   TRP   87 - HN    GLY  101  21.37 +/- 6.07   0.481% *  0.2739% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.17 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 = 0.71, residual support = 1.28:
          HN    LYS+  99 - HN    LYS+ 102   3.65 +/- 0.63  90.756% * 93.6017% (0.98   0.71   1.29) =  99.870%  kept
          HE1   HIS  122 - HN    LYS+ 102  18.19 +/- 7.92   2.729% *  2.5401% (0.95   0.02   0.02) =   0.081%
          HN    ASN   35 - HN    LYS+ 102  13.38 +/- 4.38   3.658% *  0.4143% (0.15   0.02   0.02) =   0.018%
          HN    GLU-  14 - HN    LYS+ 102  23.84 +/- 4.41   0.500% *  2.2429% (0.84   0.02   0.02) =   0.013%
          HN    GLN   30 - HN    LYS+ 102  16.57 +/- 3.76   1.625% *  0.6696% (0.25   0.02   0.02) =   0.013%
          HN    ASP-  86 - HN    LYS+ 102  23.05 +/- 6.70   0.732% *  0.5314% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.63 A violated in 0 structures by 0.26 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.98 +/- 0.86  97.089% * 99.9864% (1.00 10.00   3.14  12.53) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  11.88 +/- 4.13   2.911% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 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   3.44 +/- 0.52 100.000% *100.0000% (0.80 10.00   3.61  14.93) = 100.000%  kept
    Distance limit 4.16 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   4.31 +/- 0.56  63.457% * 90.0219% (0.99   1.43   1.38) =  98.077%  kept
          HA    LEU   40 - HN    GLY  101   8.57 +/- 4.30  17.716% *  5.1160% (0.20   0.41   0.02) =   1.556%  kept
          HA    ASN   35 - HN    GLY  101  10.35 +/- 4.86  16.578% *  1.1730% (0.92   0.02   0.02) =   0.334%  kept
          HA    LEU  123 - HN    GLY  101  22.43 +/- 6.91   0.863% *  1.0175% (0.80   0.02   0.02) =   0.015%
          HA    ASP- 113 - HN    GLY  101  24.84 +/- 1.44   0.354% *  1.1396% (0.90   0.02   0.02) =   0.007%
          HA    ILE   56 - HN    GLY  101  26.28 +/- 2.22   0.319% *  1.1396% (0.90   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    GLY  101  21.91 +/- 3.15   0.712% *  0.3922% (0.31   0.02   0.02) =   0.005%
    Distance limit 4.74 A violated in 0 structures by 0.01 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   2.71 +/- 0.13  94.436% * 99.5220% (1.00  10.0   2.86  15.43) =  99.995%  kept
          HA    ALA   34 - HN    GLY  101  11.25 +/- 4.10   2.871% *  0.0963% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    GLY  101  15.02 +/- 4.58   1.169% *  0.0833% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLY  101  18.73 +/- 4.40   0.622% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.72 +/- 2.22   0.274% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.93 +/- 2.41   0.199% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  22.92 +/- 8.04   0.336% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.01 +/- 2.30   0.093% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 6.56, residual support = 38.0:
          HN    LEU  104 - HN    ILE  103   4.61 +/- 0.07  97.321% * 99.3899% (0.49   6.56  38.03) =  99.983%  kept
          HN    PHE   72 - HN    ILE  103  16.07 +/- 2.45   2.679% *  0.6101% (0.98   0.02   0.02) =   0.017%
    Distance limit 4.47 A violated in 0 structures by 0.14 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 23.5:
      O   HA    LYS+ 102 - HN    ILE  103   2.34 +/- 0.12  99.140% * 99.7796% (0.97  10.0   5.98  23.47) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  19.15 +/- 3.55   0.297% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.13 +/- 0.82   0.189% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.27 +/- 2.36   0.178% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  27.06 +/- 3.52   0.098% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.70 +/- 2.52   0.098% *  0.0319% (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 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 138.9:
      O   HA    ILE  103 - HN    ILE  103   2.66 +/- 0.16  95.887% * 99.2916% (0.98  10.0   7.00 138.86) =  99.997%  kept
          HA    THR   39 - HN    ILE  103  14.07 +/- 3.53   0.986% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ILE  103  14.18 +/- 1.25   0.730% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ILE  103  19.28 +/- 3.03   0.352% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  22.04 +/- 5.91   0.334% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  22.27 +/- 4.25   0.308% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  19.83 +/- 7.53   0.807% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.82 +/- 2.54   0.101% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.59 +/- 2.12   0.174% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.48 +/- 5.00   0.085% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  27.99 +/- 4.20   0.108% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.19 +/- 3.14   0.130% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.89, residual support = 36.4:
        T HN    ASP- 105 - HN    LEU  104   2.36 +/- 0.40  99.694% * 99.9802% (1.00 10.00   6.89  36.45) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  20.54 +/- 4.82   0.306% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.73, residual support = 10.1:
          HA    LEU   98 - HN    LEU  104   2.74 +/- 0.99 100.000% *100.0000% (0.80   3.73  10.15) = 100.000%  kept
    Distance limit 3.90 A violated in 1 structures by 0.12 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.59, residual support = 38.0:
      O   HA    ILE  103 - HN    LEU  104   2.33 +/- 0.13  97.263% * 99.2645% (0.95  10.0   6.59  38.03) =  99.998%  kept
          HA    ASP-  44 - HN    LEU  104  12.05 +/- 1.15   0.777% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  13.12 +/- 2.56   0.658% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  18.68 +/- 2.10   0.223% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  22.71 +/- 4.64   0.155% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  21.13 +/- 6.19   0.267% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  22.30 +/- 2.97   0.148% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.78 +/- 4.66   0.058% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.84 +/- 3.21   0.108% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.22 +/- 3.82   0.071% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.53 +/- 2.34   0.194% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.66 +/- 2.13   0.079% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.88, residual support = 59.5:
        T HN    PHE   97 - HN    ASP- 105   3.50 +/- 0.43  95.971% * 99.7623% (0.73 10.00   4.88  59.55) =  99.997%  kept
          HN    LEU  115 - HN    ASP- 105  13.15 +/- 1.84   2.596% *  0.0998% (0.73  1.00   0.02   0.02) =   0.003%
          HN    ASN   35 - HN    ASP- 105  16.82 +/- 2.12   1.205% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  28.81 +/- 4.07   0.229% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.89, residual support = 36.4:
        T HN    LEU  104 - HN    ASP- 105   2.36 +/- 0.40  99.469% * 99.9822% (0.87 10.00   6.89  36.45) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  14.63 +/- 2.18   0.531% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 135.6:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.92 +/- 0.02 100.000% *100.0000% (0.95  10.0   5.17 135.65) = 100.000%  kept
    Distance limit 3.85 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 = 23.0:
      O   HA    ASP- 105 - HN    LYS+ 106   2.47 +/- 0.07  98.124% * 99.6913% (0.92  10.0   3.49  23.02) =  99.998%  kept
          HB    THR   23 - HN    LYS+ 106  24.32 +/- 4.61   0.610% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    LYS+ 106  22.91 +/- 4.61   0.943% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    LYS+ 106  22.92 +/- 3.72   0.172% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  21.95 +/- 1.69   0.151% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.35, residual support = 41.9:
      O   HA    ASP- 105 - HN    ASP- 105   2.87 +/- 0.04  95.621% * 99.6913% (0.92  10.0   4.35  41.89) =  99.996%  kept
          HA    THR   23 - HN    ASP- 105  21.25 +/- 4.66   2.740% *  0.0655% (0.61   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    ASP- 105  22.48 +/- 4.56   1.127% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    ASP- 105  22.35 +/- 4.03   0.289% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  22.06 +/- 1.62   0.223% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.384, support = 5.8, residual support = 31.7:
      O   HA    LEU  104 - HN    ASP- 105   3.54 +/- 0.29  59.560% * 76.9842% (0.34  10.0   6.27  36.45) =  85.789%  kept
          HA    ILE  103 - HN    ASP- 105   4.39 +/- 0.51  35.118% * 21.6056% (0.65   1.0   2.96   3.00) =  14.196%  kept
          HA    ASP-  44 - HN    ASP- 105  11.36 +/- 1.05   1.983% *  0.1885% (0.84   1.0   0.02   0.02) =   0.007%
          HA    ASP-  86 - HN    ASP- 105  21.32 +/- 5.50   0.484% *  0.1807% (0.80   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ASP- 105  18.37 +/- 1.74   0.486% *  0.1725% (0.76   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    ASP- 105  22.59 +/- 3.98   0.309% *  0.1725% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  14.13 +/- 1.64   1.053% *  0.0502% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  24.30 +/- 3.10   0.235% *  0.1639% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  27.90 +/- 3.59   0.150% *  0.1885% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  30.49 +/- 4.41   0.125% *  0.1958% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  22.49 +/- 2.40   0.285% *  0.0627% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.52 +/- 2.21   0.211% *  0.0348% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 5.45:
          QD    PHE   97 - HN    VAL  107   4.63 +/- 1.04  85.719% * 99.0099% (0.87   2.25   5.46) =  99.884%  kept
          HZ3   TRP   87 - HN    VAL  107  13.37 +/- 4.97  11.528% *  0.8124% (0.80   0.02   0.02) =   0.110%  kept
          HE3   TRP   49 - HN    VAL  107  18.61 +/- 3.05   2.753% *  0.1777% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.47 A violated in 2 structures by 0.48 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.3:
      O   HA    LYS+ 106 - HN    VAL  107   2.20 +/- 0.02 100.000% *100.0000% (0.98  10.0   4.58  26.29) = 100.000%  kept
    Distance limit 3.15 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 +/- 0.00  95.103% * 99.7406% (0.95  10.0   3.65  60.17) =  99.998%  kept
          HA    ALA   91 - HN    VAL  107  14.23 +/- 0.76   0.861% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  17.93 +/- 2.59   0.549% *  0.0997% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107   9.90 +/- 1.29   2.948% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  107  17.12 +/- 2.19   0.540% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.84, residual support = 59.5:
          QD    PHE   97 - HN    ASP- 105   3.72 +/- 0.59  91.137% * 99.6161% (0.87   5.84  59.55) =  99.972%  kept
          HZ3   TRP   87 - HN    ASP- 105  14.78 +/- 6.44   7.670% *  0.3150% (0.80   0.02   0.02) =   0.027%
          HE3   TRP   49 - HN    ASP- 105  23.94 +/- 3.87   1.193% *  0.0689% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.63 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 = 0.31, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   4.82 +/- 1.27  75.538% * 19.2756% (0.26   0.02   0.02) =  67.653%  kept
          HA    MET   92 - HN    GLY  109   7.98 +/- 2.17  21.919% * 25.3346% (0.34   0.02   0.02) =  25.801%  kept
          HA    LYS+  74 - HN    GLY  109  16.28 +/- 1.45   2.544% * 55.3898% (0.74   0.02   0.02) =   6.546%  kept
    Distance limit 4.41 A violated in 4 structures by 0.63 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.548, support = 2.18, residual support = 8.45:
      O   HA1   GLY  109 - HN    GLY  109   2.68 +/- 0.24  37.209% * 65.3025% (0.73  10.0   1.76   9.34) =  53.662%  kept
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.04  60.932% * 34.4331% (0.34  10.0   2.66   7.42) =  46.335%  kept
          HA    CYS   50 - HN    GLY  109  13.28 +/- 3.32   0.954% *  0.0753% (0.74   1.0   0.02   0.02) =   0.002%
          HA    ALA   47 - HN    GLY  109  12.41 +/- 2.10   0.477% *  0.0435% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.24 +/- 2.51   0.265% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.97 +/- 1.95   0.071% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.54 +/- 0.70   0.093% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.898, support = 3.01, residual support = 8.99:
          HN    LYS+ 111 - HN    ALA  110   3.50 +/- 0.68  91.010% * 81.7700% (0.90   3.04   9.08) =  98.739%  kept
          HN    ILE   56 - HN    ALA  110  11.36 +/- 3.98   5.664% * 16.5550% (0.98   0.56   1.76) =   1.244%  kept
          HN    LEU   63 - HN    ALA  110  16.11 +/- 2.45   1.110% *  0.5541% (0.92   0.02   0.02) =   0.008%
          HN    ALA   84 - HN    ALA  110  18.80 +/- 3.32   0.807% *  0.5383% (0.90   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HN    ALA  110  18.52 +/- 3.92   0.849% *  0.1051% (0.18   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA  110  23.71 +/- 3.92   0.394% *  0.1853% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  31.29 +/- 3.85   0.167% *  0.2922% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.18:
      O   HA1   GLY  109 - HN    ALA  110   3.26 +/- 0.49  57.261% * 93.8843% (0.69  10.0   2.07   6.40) =  96.425%  kept
          HA    VAL  108 - HN    ALA  110   4.71 +/- 1.20  34.371% *  5.7754% (0.80   1.0   1.06   0.02) =   3.560%  kept
          HA    CYS   50 - HN    ALA  110  13.43 +/- 4.27   5.146% *  0.0992% (0.73   1.0   0.02   0.02) =   0.009%
          HA    ALA   47 - HN    ALA  110  13.31 +/- 3.33   1.845% *  0.1226% (0.90   1.0   0.02   0.02) =   0.004%
          HA    TRP   49 - HN    ALA  110  16.42 +/- 3.44   1.179% *  0.0719% (0.53   1.0   0.02   0.02) =   0.002%
          HA    CYS   21 - HN    ALA  110  23.29 +/- 2.74   0.198% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 9.57:
      O   HA    ALA  110 - HN    ALA  110   2.46 +/- 0.28  87.672% * 98.1886% (0.18  10.0   2.74   9.58) =  99.929%  kept
          HA    VAL  107 - HN    ALA  110   7.17 +/- 1.39   9.334% *  0.5304% (0.95   1.0   0.02   0.02) =   0.057%
          HA    ALA   91 - HN    ALA  110  11.49 +/- 2.90   1.511% *  0.5594% (1.00   1.0   0.02   0.02) =   0.010%
          HA    PRO   52 - HN    ALA  110  12.25 +/- 3.98   1.343% *  0.1912% (0.34   1.0   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    ALA  110  23.43 +/- 3.06   0.140% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.79 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 = 5.33, residual support = 28.6:
        T HN    LYS+ 112 - HN    LYS+ 111   4.35 +/- 0.18  91.822% * 99.8172% (0.99 10.00   5.33  28.58) =  99.998%  kept
          HN    THR   46 - HN    LYS+ 111  13.95 +/- 2.65   4.851% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    LYS+  74 - HN    LYS+ 111  19.35 +/- 2.59   1.383% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  18.54 +/- 3.62   1.734% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  36.08 +/- 5.42   0.211% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 9.08:
        T HN    ALA  110 - HN    LYS+ 111   3.50 +/- 0.68  96.463% * 99.9053% (1.00 10.00   3.04   9.08) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  11.54 +/- 2.11   3.537% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.33 A violated in 0 structures by 0.06 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.797, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.62 +/- 1.59  43.447% * 58.2608% (1.00   0.02   0.02) =  68.484%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.44 +/- 1.05  35.986% * 19.8732% (0.34   0.02   0.02) =  19.349%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.99 +/- 1.52  20.567% * 21.8659% (0.38   0.02   0.02) =  12.167%  kept
    Distance limit 4.49 A violated in 20 structures by 5.70 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 = 9.08:
      O   HA    ALA  110 - HN    LYS+ 111   2.91 +/- 0.44  79.362% * 99.3312% (0.45  10.0   3.04   9.08) =  99.950%  kept
          HA    VAL  107 - HN    LYS+ 111   7.14 +/- 2.03  16.798% *  0.2138% (0.97   1.0   0.02   0.02) =   0.046%
          HA    ALA   91 - HN    LYS+ 111  13.74 +/- 2.74   1.105% *  0.1922% (0.87   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    LYS+ 111  11.69 +/- 3.63   1.959% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LYS+ 111  16.65 +/- 2.74   0.573% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  23.37 +/- 3.36   0.203% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.17 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.6:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.35 +/- 0.20  96.264% * 99.8075% (0.53  10.0   7.09  28.58) =  99.996%  kept
          HA    VAL  108 - HN    LYS+ 112   9.26 +/- 0.69   1.708% *  0.1074% (0.57   1.0   0.02   0.02) =   0.002%
          HA    ALA   47 - HN    LYS+ 112  15.03 +/- 3.75   2.028% *  0.0851% (0.45   1.0   0.02   0.02) =   0.002%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.45, residual support = 23.2:
        T HN    GLU- 114 - HN    ASP- 113   2.70 +/- 0.17  80.033% * 94.0970% (0.81 10.00   4.49  23.46) =  98.849%  kept
          HN    GLN  116 - HN    ASP- 113   4.82 +/- 0.35  15.238% *  5.7375% (0.76  1.00   1.29   1.92) =   1.148%  kept
          HN    THR  118 - HN    ASP- 113   8.14 +/- 0.66   3.098% *  0.0643% (0.55  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    ASP- 113  11.50 +/- 1.87   1.367% *  0.0409% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  21.20 +/- 3.87   0.264% *  0.0603% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.49, residual support = 23.5:
        T HN    ASP- 113 - HN    GLU- 114   2.70 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.49  23.46) = 100.000%  kept
    Distance limit 3.08 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 = 0.957, support = 3.75, residual support = 43.0:
      O   HA    GLU- 114 - HN    GLU- 114   2.77 +/- 0.04  84.610% * 89.1650% (0.97  10.0   3.74  43.39) =  98.258%  kept
          HA    LEU  115 - HN    GLU- 114   5.24 +/- 0.11  12.693% * 10.5305% (0.53   1.0   4.33  20.84) =   1.741%  kept
          HA    CYS   53 - HN    GLU- 114  11.75 +/- 3.21   2.027% *  0.0285% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLU- 114  26.80 +/- 4.62   0.157% *  0.0874% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  24.16 +/- 3.37   0.181% *  0.0635% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.62 +/- 1.97   0.130% *  0.0801% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  24.51 +/- 4.50   0.202% *  0.0450% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 2.19, residual support = 3.52:
          HA    LYS+ 111 - HN    ASP- 113   3.98 +/- 0.45  80.385% * 99.1994% (0.74   2.19   3.52) =  99.929%  kept
          HA    PRO   52 - HN    ASP- 113  12.57 +/- 4.34   9.818% *  0.3567% (0.29   0.02   0.02) =   0.044%
          HA    VAL  108 - HN    ASP- 113  10.52 +/- 0.68   4.740% *  0.2608% (0.21   0.02   0.02) =   0.015%
          HA    ALA   47 - HN    ASP- 113  16.96 +/- 3.59   5.057% *  0.1831% (0.15   0.02   0.02) =   0.012%
    Distance limit 4.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.49, residual support = 14.5:
      O   HA    ASP- 113 - HN    ASP- 113   2.72 +/- 0.06  93.230% * 99.6702% (0.85  10.0   3.49  14.48) =  99.996%  kept
          HA    ILE   56 - HN    ASP- 113   9.29 +/- 2.82   4.194% *  0.0606% (0.52   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    ASP- 113  11.36 +/- 1.55   1.671% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  17.01 +/- 1.35   0.407% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  22.38 +/- 1.18   0.172% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  27.65 +/- 4.15   0.137% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  22.53 +/- 2.77   0.189% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.948, support = 8.32, residual support = 91.4:
        T HN    GLN  116 - HN    LEU  115   2.56 +/- 0.20  49.133% * 82.4232% (0.99 10.00   8.82 102.00) =  87.049%  kept
          HN    GLU- 114 - HN    LEU  115   2.71 +/- 0.13  41.349% * 13.8932% (0.65  1.00   5.17  20.84) =  12.348%  kept
          HN    THR  118 - HN    LEU  115   4.93 +/- 0.45   7.800% *  3.5841% (0.95  1.00   0.91   0.17) =   0.601%  kept
          HN    PHE   60 - HN    LEU  115   8.96 +/- 1.27   1.388% *  0.0636% (0.76  1.00   0.02   0.02) =   0.002%
          HN    LEU   71 - HN    LEU  115  17.55 +/- 3.73   0.262% *  0.0231% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  24.28 +/- 3.12   0.067% *  0.0128% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 8.82, residual support = 102.0:
        T HN    LEU  115 - HN    GLN  116   2.56 +/- 0.20  99.064% * 99.8619% (0.98 10.00   8.82 102.00) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  13.33 +/- 1.83   0.831% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  29.78 +/- 5.42   0.105% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 5.57, residual support = 28.4:
        T HN    SER  117 - HN    GLN  116   2.75 +/- 0.16  99.567% * 99.8966% (0.97 10.00   5.57  28.45) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.82 +/- 3.40   0.271% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  25.80 +/- 3.09   0.161% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.967, support = 4.11, residual support = 16.5:
        T HN    THR  118 - HN    SER  117   2.68 +/- 0.14  46.882% * 47.7923% (0.95 10.00   2.73   5.11) =  50.673%  kept
        T HN    GLN  116 - HN    SER  117   2.75 +/- 0.16  43.257% * 50.0755% (0.99 10.00   5.57  28.45) =  48.988%  kept
          HN    GLU- 114 - HN    SER  117   4.83 +/- 0.43   8.483% *  1.7242% (0.65  1.00   1.06   0.95) =   0.331%  kept
        T HN    PHE   60 - HN    SER  117  10.52 +/- 0.95   0.863% *  0.3861% (0.76 10.00   0.02   0.02) =   0.008%
          HN    LEU   71 - HN    SER  117  17.73 +/- 4.09   0.403% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  23.98 +/- 4.03   0.114% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.64, residual support = 120.5:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.816% * 99.8133% (0.95  10.0   2.64 120.50) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   8.78 +/- 1.22   0.898% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  16.10 +/- 1.88   0.144% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  21.98 +/- 5.31   0.141% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 2.64, residual support = 120.5:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  94.245% * 99.7477% (0.90  10.0 10.00   2.64 120.50) =  99.994%  kept
          HN    ALA  120 - HE22  GLN  116   6.10 +/- 1.64   3.777% *  0.1090% (0.98   1.0  1.00   0.02   0.23) =   0.004%
          HN    ALA   57 - HE22  GLN  116  11.49 +/- 2.77   1.609% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HE22  GLN  116  12.32 +/- 2.22   0.342% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  28.28 +/- 2.92   0.026% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 1.22, residual support = 1.89:
          HA    ASP- 113 - HN    GLN  116   3.47 +/- 0.29  79.317% * 86.2664% (1.00   1.23   1.92) =  98.649%  kept
          HA    ILE   56 - HN    GLN  116   8.28 +/- 1.90   8.404% *  9.9463% (0.61   0.23   0.02) =   1.205%  kept
          HA    PHE   59 - HN    GLN  116   7.91 +/- 0.97   9.313% *  0.8523% (0.61   0.02   0.53) =   0.114%  kept
          HA    LEU  123 - HN    GLN  116  13.02 +/- 0.66   1.682% *  0.6840% (0.49   0.02   0.02) =   0.017%
          HA    LYS+  99 - HN    GLN  116  19.27 +/- 1.60   0.507% *  1.1252% (0.80   0.02   0.02) =   0.008%
          HA    ASN   35 - HN    GLN  116  24.42 +/- 3.89   0.404% *  0.9090% (0.65   0.02   0.02) =   0.005%
          HA    TRP   87 - HN    GLN  116  22.42 +/- 2.68   0.374% *  0.2168% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 120.5:
      O   HA    GLN  116 - HN    GLN  116   2.74 +/- 0.06  97.526% * 99.5202% (1.00  10.0   6.90 120.50) =  99.998%  kept
          HA    VAL   70 - HN    GLN  116  16.88 +/- 3.53   0.730% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLN  116  18.26 +/- 2.99   0.418% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  26.08 +/- 4.47   0.192% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  26.09 +/- 3.44   0.140% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  19.36 +/- 2.29   0.393% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  23.21 +/- 3.05   0.198% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  27.22 +/- 2.99   0.125% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  21.20 +/- 3.89   0.278% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.914, support = 7.05, residual support = 175.2:
      O   HA    LEU  115 - HN    LEU  115   2.83 +/- 0.06  65.706% * 60.5049% (1.00  10.0   7.76 223.81) =  76.061%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.60 +/- 0.04  31.894% * 39.2280% (0.65  10.0   4.79  20.84) =  23.937%  kept
          HA    ARG+  54 - HN    LEU  115  12.06 +/- 1.98   1.215% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU  115  22.64 +/- 4.37   0.241% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  22.10 +/- 3.12   0.196% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  18.05 +/- 0.73   0.258% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.13 +/- 2.00   0.131% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  24.84 +/- 4.38   0.176% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.32 +/- 2.72   0.182% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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   2.76 +/- 0.05  98.290% * 99.4282% (0.38  10.0   3.65  15.40) =  99.996%  kept
          HA    ASP-  62 - HN    SER  117  13.81 +/- 1.53   0.973% *  0.2506% (0.95   1.0   0.02   0.02) =   0.002%
          HB    THR   26 - HN    SER  117  24.56 +/- 5.66   0.633% *  0.2025% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    SER  117  28.38 +/- 2.77   0.104% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 5.85, residual support = 53.4:
        T HN    ILE  119 - HN    ALA  120   2.67 +/- 0.14  98.362% * 99.2864% (0.83 10.00   5.85  53.45) =  99.993%  kept
        T HN    CYS   21 - HN    ALA  120  19.97 +/- 4.18   1.257% *  0.4963% (0.41 10.00   0.02   0.02) =   0.006%
          HN    SER   37 - HN    ALA  120  22.39 +/- 4.17   0.251% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  25.15 +/- 2.35   0.131% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 6.79, residual support = 54.5:
          HN    HIS  122 - HN    LYS+ 121   2.72 +/- 0.05  88.159% * 99.4587% (0.80   6.79  54.55) =  99.988%  kept
          QE    PHE   59 - HN    LYS+ 121   5.95 +/- 1.07  10.237% *  0.0731% (0.20   0.02   0.02) =   0.009%
          HN    PHE   59 - HN    LYS+ 121  11.31 +/- 1.19   1.387% *  0.1777% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  23.97 +/- 4.86   0.217% *  0.2905% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.24 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 = 6.37, residual support = 39.8:
          HN    LEU  123 - HN    HIS  122   2.20 +/- 0.13  95.240% * 91.3602% (0.26   6.39  39.93) =  99.648%  kept
          HN    ALA  124 - HN    HIS  122   6.58 +/- 0.14   3.647% *  8.3837% (0.09   1.71   0.02) =   0.350%  kept
          HE21  GLN   17 - HN    HIS  122  18.57 +/- 4.94   1.023% *  0.1344% (0.12   0.02   0.02) =   0.002%
          HZ2   TRP   49 - HN    HIS  122  23.66 +/- 2.62   0.090% *  0.1216% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 6.39, residual support = 39.9:
          HN    HIS  122 - HN    LEU  123   2.20 +/- 0.13  96.648% * 99.2035% (0.87   6.39  39.93) =  99.992%  kept
          QE    PHE   59 - HN    LEU  123   7.84 +/- 1.36   2.628% *  0.1884% (0.53   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LEU  123  12.40 +/- 1.62   0.629% *  0.3212% (0.90   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    LEU  123  26.02 +/- 4.84   0.095% *  0.2868% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.11, residual support = 12.0:
      O   HA    LEU  123 - HN    ALA  124   2.27 +/- 0.03  97.358% * 99.5133% (1.00  10.0   4.11  11.99) =  99.998%  kept
          HA    LYS+  99 - HN    ALA  124  20.07 +/- 7.33   0.323% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  17.29 +/- 5.70   0.527% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  22.88 +/- 6.43   0.221% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.40 +/- 1.89   0.206% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.58 +/- 1.53   0.280% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  20.12 +/- 6.08   0.468% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.68 +/- 2.14   0.307% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.07 +/- 6.38   0.310% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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   2.66 +/- 0.26  97.049% * 99.5714% (1.00  10.0   1.80   9.13) =  99.998%  kept
          HA    ALA   34 - HN    ALA  124  20.88 +/- 6.08   1.179% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA  124  15.32 +/- 0.83   0.539% *  0.0496% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  24.45 +/- 6.85   0.349% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  26.27 +/- 5.99   0.420% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.47 +/- 1.72   0.182% *  0.1068% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.44 +/- 4.16   0.098% *  0.0886% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  25.34 +/- 7.55   0.184% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 4.91, residual support = 39.9:
      O   HA    HIS  122 - HN    LEU  123   3.41 +/- 0.12  96.230% * 99.8702% (1.00  10.0   4.91  39.93) =  99.997%  kept
          HA    VAL   41 - HN    LEU  123  15.65 +/- 3.91   2.926% *  0.0800% (0.80   1.0   0.02   0.02) =   0.002%
          HA    PHE   45 - HN    LEU  123  20.20 +/- 1.66   0.496% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.89 +/- 1.60   0.348% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 6.24, residual support = 203.9:
      O   HA    LEU  123 - HN    LEU  123   2.85 +/- 0.06  93.017% * 99.5133% (1.00  10.0   6.24 203.94) =  99.996%  kept
          HA    LYS+  99 - HN    LEU  123  17.59 +/- 6.35   0.815% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    LEU  123  15.27 +/- 1.75   0.710% *  0.0989% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  13.00 +/- 1.26   1.107% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  15.11 +/- 4.87   1.211% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  14.12 +/- 2.21   1.215% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.57 +/- 5.29   0.340% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  23.70 +/- 5.25   0.952% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.55 +/- 4.60   0.633% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 6.68, residual support = 76.2:
          HD2   HIS  122 - HN    HIS  122   2.61 +/- 0.51  95.708% * 97.2178% (0.11   6.69  76.25) =  99.977%  kept
          HE22  GLN   17 - HN    HIS  122  19.27 +/- 4.69   1.125% *  0.9235% (0.35   0.02   0.02) =   0.011%
          HE22  GLN  116 - HN    HIS  122   9.55 +/- 1.63   2.945% *  0.3214% (0.12   0.02   0.02) =   0.010%
          HE22  GLN   32 - HN    HIS  122  27.37 +/- 5.42   0.140% *  0.8173% (0.31   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    HIS  122  30.69 +/- 1.85   0.082% *  0.7200% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.19 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 = 5.25, residual support = 76.2:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.03  96.297% * 99.8131% (0.30  10.0   5.25  76.25) =  99.996%  kept
          HA    VAL   41 - HN    HIS  122  14.11 +/- 3.88   3.289% *  0.1192% (0.35   1.0   0.02   0.02) =   0.004%
          HA    PHE   45 - HN    HIS  122  18.36 +/- 1.63   0.414% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.609, support = 5.19, residual support = 180.7:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.02  61.885% * 38.4533% (0.49  10.0   6.43 312.99) =  57.385%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.55 +/- 0.03  28.880% * 61.1842% (0.77  10.0   3.53   2.58) =  42.610%  kept
          QB    SER  117 - HN    LYS+ 121   5.71 +/- 0.53   7.462% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    LYS+ 121  18.99 +/- 4.97   0.395% *  0.0600% (0.76   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.71 +/- 1.71   0.385% *  0.0569% (0.72   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LYS+ 121  17.37 +/- 1.97   0.279% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  23.28 +/- 1.80   0.113% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  22.49 +/- 2.34   0.137% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  27.07 +/- 2.79   0.075% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.54 +/- 1.89   0.143% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  23.77 +/- 4.86   0.177% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  27.57 +/- 2.53   0.068% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 13.2:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.06  73.739% * 90.6813% (0.74  10.0   3.58  13.40) =  98.477%  kept
          HA    LYS+ 121 - HN    ALA  120   5.15 +/- 0.18  11.868% *  8.0431% (0.35   1.0   3.78   2.58) =   1.406%  kept
          QB    SER  117 - HN    ALA  120   5.08 +/- 0.21  12.210% *  0.6361% (0.12   1.0   0.83   5.31) =   0.114%  kept
          HA    LYS+  65 - HN    ALA  120  15.81 +/- 1.65   0.446% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    ALA  120  19.54 +/- 4.60   0.328% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ALA  120  17.16 +/- 1.39   0.341% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.36 +/- 1.95   0.209% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  26.96 +/- 2.72   0.096% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  22.65 +/- 1.97   0.154% *  0.0641% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.24 +/- 2.34   0.199% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  24.64 +/- 4.42   0.174% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  27.33 +/- 2.46   0.087% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  23.59 +/- 2.34   0.147% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.345, support = 3.43, residual support = 120.5:
      O   HG3   GLN  116 - HE22  GLN  116   3.80 +/- 0.46  45.452% * 62.0774% (0.41  10.0   3.24 120.50) =  58.930%  kept
      O   HG2   GLN  116 - HE22  GLN  116   3.62 +/- 0.49  52.220% * 37.6518% (0.25  10.0   3.71 120.50) =  41.066%  kept
          HG2   GLU-  25 - HE22  GLN  116  29.55 +/- 8.16   0.831% *  0.1507% (1.00   1.0   0.02   0.02) =   0.003%
          HB3   PHE   95 - HE22  GLN  116  13.38 +/- 1.56   1.321% *  0.0466% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   TRP   87 - HE22  GLN  116  24.92 +/- 3.01   0.176% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.19, residual support = 12.0:
          HB2   LEU  123 - HN    ALA  124   4.11 +/- 0.26  84.518% * 96.1970% (0.76   4.19  11.99) =  99.918%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.45 +/- 0.25   7.068% *  0.4364% (0.73   0.02   0.02) =   0.038%
          QD    LYS+  65 - HN    ALA  124  15.80 +/- 3.07   2.536% *  0.4593% (0.76   0.02   0.02) =   0.014%
          QD    LYS+  38 - HN    ALA  124  18.97 +/- 6.15   1.875% *  0.5685% (0.95   0.02   0.02) =   0.013%
          QD    LYS+ 102 - HN    ALA  124  23.09 +/- 6.74   0.934% *  0.5685% (0.95   0.02   0.02) =   0.007%
          HG3   PRO   93 - HN    ALA  124  23.48 +/- 1.90   0.502% *  0.4813% (0.80   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    ALA  124  22.59 +/- 1.62   0.558% *  0.2925% (0.49   0.02   0.02) =   0.002%
          HB    VAL   83 - HN    ALA  124  31.04 +/- 4.18   0.247% *  0.5020% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    ALA  124  22.87 +/- 3.43   0.651% *  0.1499% (0.25   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA  124  21.78 +/- 3.50   0.760% *  0.1189% (0.20   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    ALA  124  26.17 +/- 1.76   0.351% *  0.2256% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.08 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   2.27 +/- 0.31  94.196% * 98.5461% (0.65  10.0   1.80   9.13) =  99.995%  kept
          HG3   LYS+  33 - HN    ALA  124  22.40 +/- 6.63   1.030% *  0.0823% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ALA  124  21.95 +/- 6.17   1.835% *  0.0296% (0.18   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  16.26 +/- 3.75   0.531% *  0.0957% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA  124  17.54 +/- 3.10   0.354% *  0.0957% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  21.74 +/- 6.33   0.251% *  0.1292% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA  124  15.54 +/- 2.17   0.428% *  0.0634% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  22.39 +/- 4.99   0.174% *  0.1466% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.06 +/- 2.29   0.193% *  0.1292% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.70 +/- 3.56   0.185% *  0.1093% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.95 +/- 1.29   0.119% *  0.1516% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  25.84 +/- 7.98   0.152% *  0.1161% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.74 +/- 2.47   0.199% *  0.0823% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  26.57 +/- 2.83   0.085% *  0.1466% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  24.99 +/- 5.74   0.206% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.96 +/- 4.64   0.063% *  0.0470% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.964, support = 5.64, residual support = 23.8:
          HA    ALA  120 - HN    LEU  123   2.78 +/- 0.18  70.326% * 62.7657% (0.99   5.98  27.88) =  82.533%  kept
          HA    LYS+ 121 - HN    LEU  123   3.96 +/- 0.19  25.884% * 36.0725% (0.84   4.08   4.39) =  17.458%  kept
          QB    SER  117 - HN    LEU  123   8.84 +/- 0.40   2.227% *  0.1031% (0.49   0.02   0.02) =   0.004%
          HA2   GLY   16 - HN    LEU  123  18.15 +/- 5.02   0.471% *  0.1619% (0.76   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LEU  123  15.70 +/- 2.09   0.464% *  0.1456% (0.69   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  20.00 +/- 1.81   0.207% *  0.1900% (0.90   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU  123  24.95 +/- 1.85   0.105% *  0.2045% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  24.23 +/- 2.25   0.118% *  0.1619% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  28.90 +/- 3.01   0.076% *  0.1619% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.50 +/- 1.70   0.123% *  0.0327% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.978, support = 5.26, residual support = 37.9:
          HB3   HIS  122 - HN    LEU  123   3.53 +/- 0.46  74.483% * 79.1780% (0.99   5.47  39.93) =  94.271%  kept
          QE    LYS+ 121 - HN    LEU  123   6.35 +/- 0.93  17.399% * 20.5588% (0.76   1.84   4.39) =   5.718%  kept
          HG2   GLN   30 - HN    LEU  123  21.41 +/- 5.26   6.840% *  0.0813% (0.28   0.02   0.02) =   0.009%
          HB3   ASP-  78 - HN    LEU  123  25.87 +/- 4.15   0.613% *  0.1423% (0.49   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LEU  123  26.06 +/- 5.94   0.665% *  0.0396% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 5.81, residual support = 203.8:
          HG    LEU  123 - HN    LEU  123   3.61 +/- 0.24  74.821% * 96.8017% (0.76   5.81 203.94) =  99.917%  kept
          HG3   PRO   68 - HN    LEU  123  13.13 +/- 4.84   5.454% *  0.3779% (0.87   0.02   0.02) =   0.028%
          HB3   ASP- 105 - HN    LEU  123  13.97 +/- 6.25   4.381% *  0.3330% (0.76   0.02   0.02) =   0.020%
          QB    LYS+  66 - HN    LEU  123  11.32 +/- 3.54   5.937% *  0.0862% (0.20   0.02   0.02) =   0.007%
          HG12  ILE  103 - HN    LEU  123  18.80 +/- 6.02   2.016% *  0.2121% (0.49   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    LEU  123  20.25 +/- 6.12   1.030% *  0.3639% (0.84   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    LEU  123  16.66 +/- 4.12   1.283% *  0.1953% (0.45   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU  123  20.43 +/- 4.45   0.837% *  0.2818% (0.65   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    LEU  123  16.83 +/- 4.15   1.372% *  0.1486% (0.34   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU  123  20.75 +/- 2.10   0.476% *  0.3489% (0.80   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU  123  23.01 +/- 1.95   0.354% *  0.3330% (0.76   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU  123  14.88 +/- 2.07   1.512% *  0.0590% (0.14   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU  123  27.54 +/- 3.68   0.374% *  0.2121% (0.49   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU  123  28.99 +/- 1.54   0.153% *  0.2467% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 6.23, residual support = 199.7:
      O   HB2   LEU  123 - HN    LEU  123   2.40 +/- 0.33  86.279% * 84.8316% (0.76  10.0   6.29 203.94) =  97.865%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.13 +/- 0.13  10.964% * 14.5466% (0.73   1.0   3.61   4.39) =   2.133%  kept
          QD    LYS+  65 - HN    LEU  123  14.29 +/- 2.70   0.745% *  0.0848% (0.76   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LEU  123  18.09 +/- 5.39   0.446% *  0.1050% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU  123  20.59 +/- 6.03   0.444% *  0.1050% (0.95   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU  123  19.60 +/- 1.94   0.190% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.77 +/- 1.58   0.209% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  27.74 +/- 3.78   0.088% *  0.0927% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.18 +/- 2.84   0.252% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  22.17 +/- 1.71   0.135% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.00 +/- 2.64   0.247% *  0.0220% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.873, support = 6.65, residual support = 203.8:
          QD1   LEU  123 - HN    LEU  123   2.25 +/- 0.47  70.041% * 84.8532% (0.90   6.66 203.94) =  96.823%  kept
          QD2   LEU  123 - HN    LEU  123   4.10 +/- 0.22  13.469% * 14.2098% (0.15   6.48 203.94) =   3.118%  kept
          QD1   LEU   71 - HN    LEU  123  13.98 +/- 4.36   6.851% *  0.2550% (0.90   0.02   0.02) =   0.028%
          QG1   VAL   70 - HN    LEU  123  11.21 +/- 4.00   7.453% *  0.1953% (0.69   0.02   0.02) =   0.024%
          HB3   LEU  104 - HN    LEU  123  15.30 +/- 6.78   1.028% *  0.2818% (0.99   0.02   0.02) =   0.005%
          QG1   VAL   18 - HN    LEU  123  14.59 +/- 2.26   0.416% *  0.1610% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU  123  12.38 +/- 2.42   0.741% *  0.0439% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 39.9:
          HB2   HIS  122 - HN    LEU  123   4.23 +/- 0.27  96.681% * 99.3404% (1.00   5.40  39.93) =  99.989%  kept
          HA    LYS+ 112 - HN    LEU  123  14.92 +/- 1.21   2.319% *  0.3298% (0.90   0.02   0.02) =   0.008%
          HB    THR   46 - HN    LEU  123  20.34 +/- 2.33   1.000% *  0.3298% (0.90   0.02   0.02) =   0.003%
    Distance limit 4.87 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 = 0.246, support = 7.49, residual support = 36.8:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.03  46.523% * 65.7198% (0.20  10.0   8.19  54.55) =  66.127%  kept
          HA    ALA  120 - HN    HIS  122   3.50 +/- 0.18  46.579% * 33.6168% (0.33   1.0   6.12   2.04) =  33.866%  kept
          QB    SER  117 - HN    HIS  122   7.95 +/- 0.41   4.089% *  0.0289% (0.09   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    HIS  122  14.50 +/- 1.81   0.752% *  0.1072% (0.33   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    HIS  122  17.68 +/- 4.62   0.602% *  0.1120% (0.34   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  18.12 +/- 2.06   0.369% *  0.0751% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    HIS  122  23.46 +/- 1.62   0.163% *  0.0887% (0.27   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  27.34 +/- 2.90   0.116% *  0.1120% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  22.82 +/- 2.13   0.189% *  0.0565% (0.17   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.00 +/- 1.60   0.199% *  0.0396% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.07 +/- 4.93   0.319% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  28.13 +/- 2.62   0.100% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.259, support = 6.25, residual support = 15.1:
          HA    ILE  119 - HN    HIS  122   3.67 +/- 0.32  69.941% * 59.3844% (0.27   6.45  17.70) =  79.548%  kept
          HA    THR  118 - HN    HIS  122   5.37 +/- 0.46  26.645% * 40.0644% (0.21   5.48   5.06) =  20.446%  kept
          HD3   PRO   58 - HN    HIS  122  13.26 +/- 1.92   1.750% *  0.0670% (0.10   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    HIS  122  19.45 +/- 1.93   0.547% *  0.1268% (0.19   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    HIS  122  18.38 +/- 1.70   0.642% *  0.0744% (0.11   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    HIS  122  25.49 +/- 2.45   0.227% *  0.1656% (0.24   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  25.54 +/- 2.69   0.248% *  0.1173% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.17 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 = 5.99, residual support = 76.2:
      O   HB2   HIS  122 - HN    HIS  122   3.58 +/- 0.25  90.980% * 99.5910% (0.11  10.0   5.99  76.25) =  99.991%  kept
          HA    LEU   63 - HN    HIS  122  10.15 +/- 2.44   6.447% *  0.0565% (0.06   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 112 - HN    HIS  122  13.61 +/- 0.93   1.740% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
          HB2   HIS   22 - HN    HIS  122  24.19 +/- 5.32   0.834% *  0.1698% (0.19   1.0   0.02   0.02) =   0.002%
    Distance limit 3.85 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 = 0.323, support = 6.59, residual support = 75.6:
      O   HB3   HIS  122 - HN    HIS  122   2.64 +/- 0.29  83.212% * 82.7232% (0.33  10.0   6.60  76.25) =  97.042%  kept
          QE    LYS+ 121 - HN    HIS  122   5.47 +/- 0.61  12.190% * 17.2031% (0.21   1.0   6.33  54.55) =   2.956%  kept
          HG2   GLN   30 - HN    HIS  122  20.23 +/- 4.92   4.293% *  0.0157% (0.06   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HN    HIS  122  24.23 +/- 3.76   0.305% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.307, support = 7.37, residual support = 52.1:
          HB2   LYS+ 121 - HN    HIS  122   3.36 +/- 0.21  60.899% * 71.7359% (0.33   7.71  54.55) =  83.235%  kept
          HB2   LEU  123 - HN    HIS  122   4.30 +/- 0.49  32.311% * 27.2087% (0.17   5.68  39.93) =  16.750%  kept
          QD    LYS+  65 - HN    HIS  122  13.34 +/- 2.49   1.455% *  0.1899% (0.34   0.02   0.02) =   0.005%
          QD    LYS+  38 - HN    HIS  122  17.48 +/- 5.05   0.885% *  0.1950% (0.35   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HN    HIS  122  19.45 +/- 5.89   0.666% *  0.1429% (0.26   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    HIS  122  17.94 +/- 1.77   0.455% *  0.1035% (0.19   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    HIS  122  13.09 +/- 1.62   1.345% *  0.0345% (0.06   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  17.42 +/- 2.36   0.515% *  0.0809% (0.15   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  26.00 +/- 3.75   0.169% *  0.1950% (0.35   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.57 +/- 1.63   0.484% *  0.0491% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.76 +/- 2.15   0.518% *  0.0304% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  20.44 +/- 1.66   0.296% *  0.0345% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.295, support = 6.62, residual support = 54.5:
          HB3   LYS+ 121 - HN    HIS  122   3.89 +/- 0.29  49.044% * 67.3760% (0.35   6.43  54.55) =  74.470%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.51 +/- 0.77  35.709% * 31.6618% (0.15   7.20  54.55) =  25.480%  kept
          QD    LYS+  66 - HN    HIS  122  11.30 +/- 3.79   5.379% *  0.1713% (0.28   0.02   0.02) =   0.021%
          HG    LEU  104 - HN    HIS  122  15.04 +/- 6.78   3.286% *  0.2097% (0.35   0.02   0.02) =   0.016%
          QG2   THR   26 - HN    HIS  122  18.66 +/- 4.23   3.213% *  0.0595% (0.10   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HN    HIS  122  15.70 +/- 1.47   0.782% *  0.1975% (0.33   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    HIS  122  17.62 +/- 2.90   0.612% *  0.1918% (0.32   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    HIS  122  14.51 +/- 2.24   1.146% *  0.0730% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    HIS  122  20.65 +/- 4.57   0.828% *  0.0595% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 6.63, residual support = 39.9:
          QD1   LEU  123 - HN    HIS  122   3.20 +/- 0.62  63.755% * 98.5619% (0.31   6.64  39.93) =  99.836%  kept
          QD1   LEU   71 - HN    HIS  122  13.07 +/- 4.33  17.666% *  0.2967% (0.31   0.02   0.02) =   0.083%
          QG1   VAL   70 - HN    HIS  122  10.12 +/- 3.87   9.396% *  0.3390% (0.35   0.02   0.02) =   0.051%
          HB3   LEU  104 - HN    HIS  122  14.03 +/- 6.72   4.595% *  0.1800% (0.19   0.02   0.02) =   0.013%
          HB3   LEU   63 - HN    HIS  122  10.75 +/- 2.56   2.462% *  0.2213% (0.23   0.02   0.02) =   0.009%
          QG1   VAL   18 - HN    HIS  122  13.67 +/- 2.10   1.481% *  0.3413% (0.35   0.02   0.02) =   0.008%
          QG1   VAL  108 - HN    HIS  122  16.21 +/- 2.17   0.645% *  0.0599% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.549, support = 3.5, residual support = 7.18:
          HA    THR  118 - HN    LYS+ 121   3.27 +/- 0.35  61.079% * 37.5949% (0.49   3.05   7.11) =  50.450%  kept
          HA    ILE  119 - HN    LYS+ 121   3.95 +/- 0.18  36.680% * 61.4761% (0.61   3.96   7.26) =  49.543%  kept
          HD3   PRO   58 - HN    LYS+ 121  13.38 +/- 1.47   1.085% *  0.1130% (0.22   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    LYS+ 121  19.75 +/- 1.90   0.343% *  0.2138% (0.42   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    LYS+ 121  16.80 +/- 1.87   0.478% *  0.1254% (0.25   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    LYS+ 121  25.09 +/- 2.61   0.173% *  0.2791% (0.55   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    LYS+ 121  25.22 +/- 2.64   0.162% *  0.1978% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.755, support = 6.89, residual support = 310.2:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.39 +/- 0.39  85.045% * 92.7076% (0.76  10.0   6.93 312.99) =  99.105%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.18 +/- 0.54  10.488% *  6.7666% (0.39   1.0   2.84   4.39) =   0.892%  kept
          QD    LYS+  38 - HN    LYS+ 121  18.26 +/- 5.22   1.311% *  0.0971% (0.79   1.0   0.02   0.02) =   0.002%
          QD    LYS+  65 - HN    LYS+ 121  14.46 +/- 2.35   0.552% *  0.0946% (0.77   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+ 121  19.21 +/- 5.23   0.370% *  0.0712% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.09 +/- 1.65   0.332% *  0.0516% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  17.94 +/- 2.38   0.274% *  0.0403% (0.33   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  13.22 +/- 1.53   0.601% *  0.0172% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  15.78 +/- 1.85   0.370% *  0.0244% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  25.96 +/- 3.69   0.089% *  0.0971% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.91 +/- 2.34   0.362% *  0.0151% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.43 +/- 1.64   0.207% *  0.0172% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.555, support = 5.5, residual support = 248.8:
          HD2   LYS+ 121 - HN    LYS+ 121   3.40 +/- 0.99  41.668% * 81.9607% (0.64   6.01 312.99) =  79.311%  kept
          QB    ALA  120 - HN    LYS+ 121   2.87 +/- 0.11  53.329% * 16.6891% (0.22   3.52   2.58) =  20.669%  kept
          HB3   LEU   40 - HN    LYS+ 121  13.46 +/- 4.39   1.352% *  0.1658% (0.39   0.02   0.02) =   0.005%
          QD    LYS+  66 - HN    LYS+ 121  12.51 +/- 3.57   1.099% *  0.1400% (0.33   0.02   0.02) =   0.004%
          QG2   THR   26 - HN    LYS+ 121  19.21 +/- 4.38   0.443% *  0.3144% (0.74   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    LYS+ 121   9.99 +/- 0.95   1.418% *  0.0947% (0.22   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    LYS+ 121  15.76 +/- 2.16   0.428% *  0.2954% (0.70   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HN    LYS+ 121  18.24 +/- 2.33   0.263% *  0.3398% (0.80   0.02   0.02) =   0.002%
    Distance limit 2.91 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 = 5.78, residual support = 307.9:
          HG2   LYS+ 121 - HN    LYS+ 121   4.18 +/- 0.19  64.837% * 94.4353% (0.77   5.85 312.99) =  98.341%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.17 +/- 0.33  20.993% *  4.7418% (0.16   1.43   7.26) =   1.599%  kept
          QG2   VAL  107 - HN    LYS+ 121   9.75 +/- 2.35   7.423% *  0.3316% (0.79   0.02   0.02) =   0.040%
          HG13  ILE  103 - HN    LYS+ 121  17.33 +/- 5.09   3.918% *  0.2164% (0.52   0.02   0.02) =   0.014%
          QB    ALA   20 - HN    LYS+ 121  17.43 +/- 3.40   1.626% *  0.2164% (0.52   0.02   0.02) =   0.006%
          HB3   LEU   31 - HN    LYS+ 121  21.06 +/- 4.74   1.204% *  0.0586% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.12 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.703, support = 2.47, residual support = 4.37:
          QD1   LEU  123 - HN    LYS+ 121   4.42 +/- 0.20  51.900% * 89.5292% (0.72   2.51   4.39) =  97.061%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.63 +/- 0.20  15.500% *  7.8500% (0.12   1.28   4.39) =   2.542%  kept
          QD1   LEU   71 - HN    LYS+ 121  13.93 +/- 4.36  12.058% *  0.7132% (0.72   0.02   0.02) =   0.180%  kept
          QG1   VAL   70 - HN    LYS+ 121  11.04 +/- 3.83   9.799% *  0.5463% (0.55   0.02   0.02) =   0.112%  kept
          HB3   LEU  104 - HN    LYS+ 121  13.56 +/- 6.02   4.668% *  0.7883% (0.79   0.02   0.02) =   0.077%
          QG1   VAL   18 - HN    LYS+ 121  14.33 +/- 2.46   1.968% *  0.4503% (0.45   0.02   0.02) =   0.019%
          HB3   LEU   63 - HN    LYS+ 121  11.41 +/- 2.51   4.107% *  0.1227% (0.12   0.02   0.02) =   0.011%
    Distance limit 4.20 A violated in 0 structures by 0.13 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.38, residual support = 53.4:
          HB    ILE  119 - HN    ALA  120   2.89 +/- 0.22  90.586% * 97.6378% (0.90   5.39  53.45) =  99.974%  kept
          HG3   GLN   30 - HN    ALA  120  21.23 +/- 5.01   2.436% *  0.3499% (0.87   0.02   0.02) =   0.010%
          HB2   GLN   30 - HN    ALA  120  20.52 +/- 4.15   1.141% *  0.3626% (0.90   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    ALA  120  16.05 +/- 3.76   0.965% *  0.2244% (0.56   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    ALA  120  16.35 +/- 2.44   0.668% *  0.3090% (0.77   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ALA  120  12.93 +/- 1.30   1.153% *  0.1142% (0.28   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA  120  18.22 +/- 1.61   0.399% *  0.2827% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA  120  15.49 +/- 1.42   0.661% *  0.1658% (0.41   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ALA  120  22.71 +/- 4.31   0.253% *  0.3691% (0.92   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ALA  120  19.10 +/- 4.38   0.897% *  0.0922% (0.23   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  19.05 +/- 4.16   0.841% *  0.0922% (0.23   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 3.99, residual support = 13.2:
      O   QB    ALA  120 - HN    ALA  120   2.05 +/- 0.08  87.495% * 83.6161% (0.49  10.0   3.99  13.40) =  98.344%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.52 +/- 1.25   7.787% * 15.7705% (0.49   1.0   3.77   2.58) =   1.651%  kept
          HG    LEU  115 - HN    ALA  120   8.57 +/- 1.10   1.551% *  0.0836% (0.49   1.0   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    ALA  120  19.40 +/- 4.72   0.998% *  0.1092% (0.63   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ALA  120  14.64 +/- 3.91   0.506% *  0.1215% (0.71   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA  120  15.73 +/- 2.05   0.274% *  0.0964% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  18.23 +/- 2.71   0.177% *  0.1467% (0.85   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  12.53 +/- 3.73   0.750% *  0.0315% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  14.89 +/- 3.88   0.461% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.74, residual support = 53.4:
          QG2   ILE  119 - HN    ALA  120   3.13 +/- 0.61  77.005% * 96.6827% (0.49   5.75  53.45) =  99.844%  kept
          QD2   LEU   71 - HN    ALA  120  14.27 +/- 4.37   8.250% *  0.5343% (0.77   0.02   0.02) =   0.059%
          QD2   LEU   40 - HN    ALA  120  11.64 +/- 3.61   8.201% *  0.4888% (0.71   0.02   0.02) =   0.054%
          QD1   LEU   67 - HN    ALA  120  12.67 +/- 3.18   2.532% *  0.5122% (0.74   0.02   0.02) =   0.017%
          QG2   ILE  103 - HN    ALA  120  14.41 +/- 3.83   1.227% *  0.5737% (0.83   0.02   0.02) =   0.009%
          HG3   LYS+  74 - HN    ALA  120  17.91 +/- 3.48   1.010% *  0.6173% (0.89   0.02   0.02) =   0.008%
          QD1   ILE  103 - HN    ALA  120  15.86 +/- 3.48   0.986% *  0.4645% (0.67   0.02   0.02) =   0.006%
          HB    VAL   75 - HN    ALA  120  17.90 +/- 2.01   0.789% *  0.1266% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.77 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   2.19 +/- 0.17  94.559% * 88.4160% (0.25  10.0   2.79  15.40) =  99.731%  kept
          HA    ALA  120 - HN    SER  117   7.76 +/- 0.45   2.315% *  9.4453% (0.95   1.0   0.56   5.31) =   0.261%  kept
          HA    LYS+ 121 - HN    SER  117   9.04 +/- 0.70   1.496% *  0.2007% (0.57   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    SER  117  14.54 +/- 1.25   0.357% *  0.2294% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  17.33 +/- 1.64   0.226% *  0.3273% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  20.58 +/- 2.29   0.169% *  0.2710% (0.76   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER  117  22.19 +/- 4.24   0.122% *  0.3422% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  18.69 +/- 2.74   0.235% *  0.1726% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.53 +/- 2.77   0.288% *  0.1210% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  25.00 +/- 2.18   0.074% *  0.3422% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  25.71 +/- 4.54   0.086% *  0.0702% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  24.67 +/- 2.17   0.075% *  0.0621% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.391, support = 5.5, residual support = 28.4:
          HG3   GLN  116 - HN    SER  117   4.74 +/- 0.56  42.024% * 69.0891% (0.49   5.38  28.45) =  66.885%  kept
          HG2   GLN  116 - HN    SER  117   4.53 +/- 1.12  47.899% * 29.9633% (0.20   5.74  28.45) =  33.062%  kept
          HG2   GLU-  25 - HN    SER  117  28.24 +/- 6.65   2.254% *  0.5173% (0.98   0.02   0.02) =   0.027%
          HB3   PHE   95 - HN    SER  117   9.63 +/- 1.67   7.195% *  0.1316% (0.25   0.02   0.02) =   0.022%
          HB3   TRP   87 - HN    SER  117  21.64 +/- 2.79   0.627% *  0.2988% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.19 A violated in 0 structures by 0.22 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.89, residual support = 28.4:
          HB2   GLN  116 - HN    SER  117   3.45 +/- 0.40  93.391% * 98.7724% (0.97   4.89  28.45) =  99.975%  kept
          HB3   PHE   97 - HN    SER  117  12.53 +/- 2.69   2.853% *  0.4187% (1.00   0.02   0.02) =   0.013%
          HB2   PRO   58 - HN    SER  117  11.78 +/- 2.12   2.962% *  0.3041% (0.73   0.02   0.02) =   0.010%
          HB2   GLU- 100 - HN    SER  117  23.29 +/- 2.33   0.370% *  0.3755% (0.90   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    SER  117  22.02 +/- 2.85   0.424% *  0.1292% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.24 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 7.13, residual support = 119.3:
          HG2   GLN  116 - HN    GLN  116   3.69 +/- 0.52  88.234% * 92.2783% (0.73   7.20 120.50) =  99.008%  kept
          HB3   PHE   95 - HN    GLN  116   8.68 +/- 1.39  10.901% *  7.4653% (0.80   0.53   0.02) =   0.990%  kept
          HG2   GLU-  25 - HN    GLN  116  27.36 +/- 6.22   0.865% *  0.2564% (0.73   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 0 structures by 0.15 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.48, residual support = 120.5:
      O   HB2   GLN  116 - HN    GLN  116   2.13 +/- 0.12  96.379% * 99.6757% (0.98  10.0   7.48 120.50) =  99.998%  kept
          HB2   PRO   58 - HN    GLN  116  10.12 +/- 1.99   2.733% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLN  116  12.79 +/- 1.97   0.525% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  20.72 +/- 2.84   0.204% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.77 +/- 1.53   0.073% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  24.48 +/- 3.65   0.088% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.776, support = 6.99, residual support = 80.8:
          HB2   LEU  115 - HN    GLN  116   3.65 +/- 0.43  55.794% * 64.2285% (0.80   7.58 102.00) =  78.780%  kept
          QB    GLU- 114 - HN    GLN  116   4.79 +/- 0.35  27.588% * 34.9384% (0.69   4.80   2.02) =  21.190%  kept
          HG3   PRO   58 - HN    GLN  116  10.17 +/- 1.79   3.433% *  0.1768% (0.84   0.02   0.02) =   0.013%
          HB2   LYS+ 111 - HN    GLN  116   7.25 +/- 0.83   8.404% *  0.0327% (0.15   0.02   0.02) =   0.006%
          HG2   PRO   68 - HN    GLN  116  17.36 +/- 3.61   1.216% *  0.1768% (0.84   0.02   0.02) =   0.005%
          HB2   LEU   67 - HN    GLN  116  15.79 +/- 3.31   1.232% *  0.0870% (0.41   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLN  116  19.50 +/- 3.05   0.526% *  0.1618% (0.76   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    GLN  116  26.78 +/- 5.65   0.444% *  0.0722% (0.34   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  17.91 +/- 3.44   0.580% *  0.0419% (0.20   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    GLN  116  20.57 +/- 3.56   0.405% *  0.0419% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.23 +/- 3.29   0.378% *  0.0419% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.20 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.842, support = 8.44, residual support = 100.3:
          HG    LEU  115 - HN    GLN  116   3.35 +/- 1.07  50.522% * 39.1641% (0.73   8.56 102.00) =  52.509%  kept
          HB3   LEU  115 - HN    GLN  116   4.04 +/- 0.35  32.706% * 52.8074% (0.98   8.55 102.00) =  45.835%  kept
          QB    ALA  120 - HN    GLN  116   7.01 +/- 0.61   8.246% *  7.4846% (0.73   1.64   0.23) =   1.638%  kept
          HG    LEU   40 - HN    GLN  116  15.45 +/- 3.28   1.984% *  0.1235% (0.98   0.02   0.02) =   0.007%
          HG    LEU   67 - HN    GLN  116  15.84 +/- 3.54   1.312% *  0.1260% (1.00   0.02   0.02) =   0.004%
          QG    LYS+  66 - HN    GLN  116  13.40 +/- 3.06   2.040% *  0.0473% (0.38   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    GLN  116  16.78 +/- 3.24   0.992% *  0.0613% (0.49   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN  116  18.18 +/- 4.32   0.579% *  0.0713% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  15.46 +/- 3.45   1.421% *  0.0280% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    GLN  116  23.17 +/- 2.21   0.199% *  0.0865% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 7.82, residual support = 102.0:
          QD1   LEU  115 - HN    GLN  116   3.61 +/- 0.96  94.532% * 99.6406% (0.49   7.83 102.00) =  99.979%  kept
          QG1   VAL   75 - HN    GLN  116  13.52 +/- 2.09   5.468% *  0.3594% (0.69   0.02   0.02) =   0.021%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.2, residual support = 102.0:
          QD2   LEU  115 - HN    GLN  116   2.48 +/- 0.64  84.808% * 98.6154% (0.57  10.19 102.00) =  99.954%  kept
          QD1   LEU   63 - HN    GLN  116   8.48 +/- 2.28   5.228% *  0.3066% (0.90   0.02   0.02) =   0.019%
          QD2   LEU   63 - HN    GLN  116   9.04 +/- 2.52   4.725% *  0.2855% (0.84   0.02   0.02) =   0.016%
          QD1   LEU   73 - HN    GLN  116  15.53 +/- 3.71   1.893% *  0.3066% (0.90   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    GLN  116  14.00 +/- 2.21   1.098% *  0.1055% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    GLN  116  14.85 +/- 2.13   1.051% *  0.0950% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  19.87 +/- 3.54   0.268% *  0.1799% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  15.72 +/- 1.60   0.663% *  0.0527% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.39 +/- 3.90   0.267% *  0.0527% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.715, support = 2.1, residual support = 15.4:
          QD1   ILE  119 - HN    GLN  116   4.38 +/- 0.65  60.375% * 92.5488% (0.73   2.16  15.93) =  96.886%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.98 +/- 1.30  33.602% *  5.1345% (0.38   0.23   0.02) =   2.992%  kept
          QG2   VAL  108 - HN    GLN  116  10.77 +/- 1.13   4.444% *  1.1789% (1.00   0.02   0.02) =   0.091%
          HB2   LEU  104 - HN    GLN  116  15.45 +/- 2.09   1.579% *  1.1378% (0.97   0.02   0.02) =   0.031%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.05, residual support = 2.35:
          HA    LYS+ 112 - HN    LEU  115   3.37 +/- 0.40  95.725% * 71.0543% (0.90   1.06   2.37) =  99.277%  kept
          HB2   HIS  122 - HN    LEU  115  13.45 +/- 0.68   1.669% * 27.5994% (1.00   0.37   0.02) =   0.672%  kept
          HB    THR   46 - HN    LEU  115  13.06 +/- 2.28   2.607% *  1.3463% (0.90   0.02   0.02) =   0.051%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 4.71, residual support = 92.1:
          HB2   GLN  116 - HN    LEU  115   4.43 +/- 0.24  70.957% * 68.1048% (0.22   5.14 102.00) =  90.305%  kept
          HB2   PRO   58 - HN    LEU  115  11.14 +/- 2.62  17.218% * 29.8199% (0.80   0.63   0.02) =   9.595%  kept
          HG2   PRO   52 - HN    LEU  115  13.49 +/- 3.50   4.993% *  0.5332% (0.45   0.02   0.02) =   0.050%
          HB3   PHE   97 - HN    LEU  115  11.81 +/- 1.77   4.711% *  0.4057% (0.34   0.02   0.02) =   0.036%
          HG3   GLU-  25 - HN    LEU  115  27.56 +/- 5.50   0.668% *  0.7694% (0.65   0.02   0.02) =   0.010%
          HB2   GLU-  79 - HN    LEU  115  20.74 +/- 2.68   0.931% *  0.1835% (0.15   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    LEU  115  23.16 +/- 1.48   0.522% *  0.1835% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.15 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.787, support = 7.11, residual support = 199.3:
      O   HB2   LEU  115 - HN    LEU  115   2.35 +/- 0.33  56.905% * 79.5323% (0.80  10.0   7.32 223.81) =  87.940%  kept
          QB    GLU- 114 - HN    LEU  115   2.98 +/- 0.47  32.176% * 19.1889% (0.69   1.0   5.63  20.84) =  11.997%  kept
          HG3   PRO   58 - HN    LEU  115  11.15 +/- 2.47   3.161% *  0.9710% (0.84   1.0   0.23   0.02) =   0.060%
          HB2   LYS+ 111 - HN    LEU  115   5.65 +/- 1.15   6.426% *  0.0153% (0.15   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    LEU  115  17.93 +/- 3.83   0.450% *  0.0830% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    LEU  115  15.92 +/- 3.36   0.349% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  19.53 +/- 2.77   0.122% *  0.0759% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.25 +/- 3.44   0.156% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  26.29 +/- 4.96   0.079% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  21.15 +/- 3.19   0.091% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  21.74 +/- 3.02   0.085% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.921, support = 7.48, residual support = 223.8:
      O   HB3   LEU  115 - HN    LEU  115   3.34 +/- 0.28  43.415% * 78.0361% (0.98  10.0   7.49 223.81) =  76.797%  kept
          HG    LEU  115 - HN    LEU  115   3.27 +/- 0.93  47.451% * 21.5623% (0.73   1.0   7.46 223.81) =  23.193%  kept
          QB    ALA  120 - HN    LEU  115   8.55 +/- 0.55   2.603% *  0.0578% (0.73   1.0   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    LEU  115  15.94 +/- 3.57   1.352% *  0.0796% (1.00   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    LEU  115  15.37 +/- 3.37   0.737% *  0.0780% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LEU  115  17.59 +/- 4.47   0.935% *  0.0451% (0.57   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU  115  14.03 +/- 3.07   1.278% *  0.0299% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU  115  15.58 +/- 3.57   1.590% *  0.0177% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LEU  115  16.75 +/- 3.34   0.485% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.09 +/- 1.87   0.156% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.542, support = 1.55, residual support = 7.12:
          QG2   VAL  107 - HN    LEU  115   4.07 +/- 1.44  56.001% * 50.1807% (0.53   1.72   6.85) =  78.068%  kept
          HG13  ILE  119 - HN    LEU  115   7.45 +/- 1.38  15.500% * 39.6085% (0.73   0.98   9.71) =  17.055%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.59 +/- 1.21  23.438% *  7.3254% (0.15   0.86   2.37) =   4.770%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.98 +/- 1.46   2.607% *  0.8471% (0.76   0.02   0.02) =   0.061%
          QB    ALA   20 - HN    LEU  115  16.99 +/- 3.00   0.918% *  1.1059% (1.00   0.02   0.02) =   0.028%
          HB3   LEU   31 - HN    LEU  115  21.35 +/- 4.18   0.663% *  0.7614% (0.69   0.02   0.02) =   0.014%
          HG13  ILE  103 - HN    LEU  115  16.06 +/- 1.31   0.873% *  0.1710% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.87 A violated in 0 structures by 0.19 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.95, residual support = 223.7:
          QD2   LEU  115 - HN    LEU  115   3.35 +/- 0.82  75.168% * 98.8093% (0.65   8.95 223.81) =  99.956%  kept
          QD1   LEU   63 - HN    LEU  115   8.50 +/- 2.41  13.209% *  0.1054% (0.31   0.02   0.02) =   0.019%
          QD1   LEU   73 - HN    LEU  115  14.94 +/- 3.86   6.694% *  0.1054% (0.31   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    LEU  115  13.56 +/- 2.09   2.072% *  0.3061% (0.90   0.02   0.02) =   0.009%
          QG1   VAL   83 - HN    LEU  115  17.92 +/- 2.47   0.686% *  0.3229% (0.95   0.02   0.02) =   0.003%
          QG2   ILE   89 - HN    LEU  115  13.94 +/- 2.14   1.499% *  0.1164% (0.34   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    LEU  115  18.98 +/- 3.27   0.672% *  0.2345% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.45 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 = 7.41, residual support = 223.7:
          QD1   LEU  115 - HN    LEU  115   3.41 +/- 0.75  92.098% * 99.6821% (0.80   7.41 223.81) =  99.973%  kept
          QG1   VAL   75 - HN    LEU  115  12.62 +/- 1.94   7.902% *  0.3179% (0.95   0.02   0.02) =   0.027%
    Distance limit 4.54 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 = 0.571, support = 6.76, residual support = 138.9:
      O   HB    ILE  103 - HN    ILE  103   2.26 +/- 0.29  68.967% * 65.0187% (0.53  10.0   6.73 138.86) =  83.792%  kept
          HG12  ILE  103 - HN    ILE  103   3.51 +/- 0.47  25.305% * 34.2622% (0.80   1.0   6.92 138.86) =  16.201%  kept
          HB    VAL   41 - HN    ILE  103   9.85 +/- 2.52   1.321% *  0.0799% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ILE  103   9.10 +/- 0.45   1.379% *  0.0554% (0.45   1.0   0.02   3.00) =   0.001%
          HG    LEU  123 - HN    ILE  103  22.55 +/- 5.22   0.301% *  0.1211% (0.98   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   8.26 +/- 1.00   1.442% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ILE  103  19.51 +/- 5.03   0.345% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  18.24 +/- 4.38   0.307% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.27 +/- 2.79   0.240% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  26.20 +/- 2.19   0.046% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  21.80 +/- 4.64   0.120% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.92 +/- 2.55   0.047% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.41 +/- 0.98   0.101% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  23.13 +/- 3.07   0.079% *  0.0344% (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 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 6.22, residual support = 138.8:
          HG13  ILE  103 - HN    ILE  103   3.68 +/- 0.71  81.499% * 98.5440% (0.65   6.23 138.86) =  99.920%  kept
          HG2   LYS+ 121 - HN    ILE  103  17.47 +/- 7.75   9.177% *  0.4721% (0.97   0.02   0.02) =   0.054%
          QG2   VAL  107 - HN    ILE  103  12.41 +/- 0.67   2.564% *  0.4849% (0.99   0.02   0.02) =   0.015%
          HB3   LEU   31 - HN    ILE  103  13.24 +/- 4.87   4.910% *  0.0857% (0.18   0.02   0.02) =   0.005%
          QB    ALA   20 - HN    ILE  103  18.14 +/- 2.36   1.089% *  0.3165% (0.65   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    ILE  103  19.67 +/- 3.02   0.760% *  0.0968% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.14 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.794, support = 6.18, residual support = 138.8:
          QG2   ILE  103 - HN    ILE  103   3.56 +/- 0.23  36.902% * 71.1724% (1.00   6.49 138.86) =  62.706%  kept
          QD1   ILE  103 - HN    ILE  103   2.89 +/- 0.92  55.919% * 27.9103% (0.45   5.67 138.86) =  37.262%  kept
          QD2   LEU   40 - HN    ILE  103   8.83 +/- 3.22   4.569% *  0.2117% (0.97   0.02   0.02) =   0.023%
          QD1   LEU   67 - HN    ILE  103  13.67 +/- 3.30   0.953% *  0.2151% (0.98   0.02   0.02) =   0.005%
          QD2   LEU   71 - HN    ILE  103  14.17 +/- 3.15   0.725% *  0.1242% (0.57   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  103  19.88 +/- 2.14   0.193% *  0.2151% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  15.80 +/- 1.87   0.429% *  0.0902% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  17.79 +/- 3.18   0.309% *  0.0610% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.458, support = 7.18, residual support = 207.5:
          HG    LEU  104 - HN    LEU  104   3.35 +/- 0.61  73.215% * 82.9788% (0.45   7.44 216.16) =  96.005%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.39 +/- 1.23  16.304% * 15.3407% (0.69   0.90   0.02) =   3.952%  kept
          HB3   LYS+ 121 - HN    LEU  104  13.05 +/- 6.99   7.786% *  0.2231% (0.45   0.02   0.02) =   0.027%
          HG2   LYS+  33 - HN    LEU  104  17.29 +/- 2.04   0.656% *  0.4933% (0.99   0.02   0.02) =   0.005%
          HD3   LYS+  74 - HN    LEU  104  18.53 +/- 2.11   0.839% *  0.3019% (0.61   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HN    LEU  104  16.78 +/- 2.69   0.819% *  0.2818% (0.57   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LEU  104  22.19 +/- 3.31   0.382% *  0.3804% (0.76   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.266, support = 7.1, residual support = 150.8:
      O   HB2   LEU  104 - HN    LEU  104   2.58 +/- 0.42  43.667% * 65.8898% (0.22  10.0   7.39 216.16) =  63.323%  kept
          QG2   ILE  103 - HN    LEU  104   2.43 +/- 0.53  49.984% * 33.3222% (0.34   1.0   6.60  38.03) =  36.657%  kept
          QD2   LEU   40 - HN    LEU  104   6.85 +/- 2.77   4.721% *  0.1441% (0.49   1.0   0.02   0.02) =   0.015%
          QD1   LEU   67 - HN    LEU  104  11.84 +/- 3.55   0.928% *  0.1327% (0.45   1.0   0.02   0.02) =   0.003%
          HB    VAL   75 - HN    LEU  104  14.64 +/- 1.52   0.232% *  0.2933% (0.99   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    LEU  104  14.14 +/- 2.60   0.320% *  0.1441% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU  104  18.26 +/- 2.17   0.148% *  0.0738% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.775, support = 7.22, residual support = 169.8:
          QD2   LEU  104 - HN    LEU  104   3.02 +/- 0.89  63.689% * 64.5635% (0.80   7.86 216.16) =  77.507%  kept
          QD1   LEU   98 - HN    LEU  104   4.32 +/- 0.74  33.901% * 35.1948% (0.69   4.99  10.15) =  22.489%  kept
          QD1   ILE   19 - HN    LEU  104  14.70 +/- 2.32   1.123% *  0.1327% (0.65   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    LEU  104  15.72 +/- 1.10   0.653% *  0.0633% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU  104  15.91 +/- 2.27   0.634% *  0.0457% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 0.672, support = 7.55, residual support = 58.1:
          HB2   PHE   97 - HN    ASP- 105   2.27 +/- 0.40  80.797% * 73.2953% (0.69   7.66  59.55) =  96.270%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.86 +/- 1.10  11.812% * 17.8980% (0.25   5.15  23.02) =   3.437%  kept
          QE    LYS+  99 - HN    ASP- 105   8.40 +/- 1.10   1.956% *  6.5076% (0.90   0.52   0.57) =   0.207%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.73 +/- 1.36   2.559% *  1.8787% (0.41   0.33   0.02) =   0.078%
          HB3   TRP   27 - HN    ASP- 105  16.69 +/- 3.57   2.028% *  0.2023% (0.73   0.02   0.02) =   0.007%
          QE    LYS+  38 - HN    ASP- 105  15.37 +/- 1.66   0.374% *  0.1803% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  15.97 +/- 2.62   0.475% *  0.0377% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.62, residual support = 59.5:
          HB3   PHE   97 - HN    ASP- 105   2.49 +/- 0.55  96.433% * 98.7173% (0.90   5.62  59.55) =  99.989%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.73 +/- 1.26   1.526% *  0.3919% (1.00   0.02   0.02) =   0.006%
          HB2   GLN  116 - HN    ASP- 105  15.98 +/- 2.12   0.658% *  0.3842% (0.98   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    ASP- 105  19.38 +/- 3.12   0.587% *  0.1757% (0.45   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    ASP- 105  19.70 +/- 2.94   0.419% *  0.2219% (0.57   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    ASP- 105  17.68 +/- 3.02   0.377% *  0.1090% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.68, residual support = 41.9:
      O   HB2   ASP- 105 - HN    ASP- 105   3.56 +/- 0.22  86.210% * 99.3924% (0.80  10.0   4.69  41.89) =  99.991%  kept
          HG12  ILE  119 - HN    ASP- 105  13.95 +/- 3.49   2.840% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    ASP- 105  11.44 +/- 1.33   3.084% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    ASP- 105  18.38 +/- 1.36   0.688% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  20.84 +/- 3.21   0.623% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  13.60 +/- 2.56   2.036% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  13.02 +/- 1.45   2.213% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    ASP- 105  20.30 +/- 2.01   0.556% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  20.33 +/- 1.78   0.514% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.70 +/- 3.51   0.713% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  20.05 +/- 1.71   0.524% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.773, support = 4.58, residual support = 40.5:
      O   HB3   ASP- 105 - HN    ASP- 105   2.77 +/- 0.23  73.816% * 70.5410% (0.76  10.0   4.60  41.89) =  93.888%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.36 +/- 0.31  12.183% * 21.4165% (0.98   1.0   4.73  23.02) =   4.705%  kept
          HB    ILE  103 - HN    ASP- 105   5.59 +/- 0.44  10.503% *  7.4105% (0.69   1.0   2.34   3.00) =   1.403%  kept
          HB3   LYS+  38 - HN    ASP- 105  16.13 +/- 2.17   0.508% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  17.11 +/- 3.79   0.530% *  0.0597% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASP- 105  16.52 +/- 2.93   0.617% *  0.0486% (0.53   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  17.21 +/- 1.75   0.372% *  0.0801% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  17.67 +/- 2.27   0.365% *  0.0801% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  22.25 +/- 2.85   0.182% *  0.0891% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  22.09 +/- 1.70   0.169% *  0.0852% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.53 +/- 0.85   0.306% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.98 +/- 2.34   0.155% *  0.0670% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.97 +/- 2.73   0.293% *  0.0206% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.535, support = 5.52, residual support = 31.5:
          HG    LEU  104 - HN    ASP- 105   4.46 +/- 0.64  51.063% * 51.0752% (0.45   6.44  36.45) =  63.361%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.38 +/- 0.89  31.531% * 47.7299% (0.69   3.93  23.02) =  36.563%  kept
          HB3   LYS+ 121 - HN    ASP- 105  11.73 +/- 6.83  12.950% *  0.1587% (0.45   0.02   0.02) =   0.050%
          HB3   LYS+ 111 - HN    ASP- 105  14.76 +/- 3.01   2.177% *  0.2004% (0.57   0.02   0.02) =   0.011%
          HG2   LYS+  33 - HN    ASP- 105  18.32 +/- 1.87   0.854% *  0.3508% (0.99   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HN    ASP- 105  18.36 +/- 1.96   0.905% *  0.2146% (0.61   0.02   0.02) =   0.005%
          QG    LYS+  81 - HN    ASP- 105  22.23 +/- 2.84   0.519% *  0.2705% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.265, support = 5.0, residual support = 24.4:
          HB2   LEU  104 - HN    ASP- 105   2.70 +/- 0.48  48.885% * 60.5543% (0.22   6.38  36.45) =  64.070%  kept
          QG2   ILE  103 - HN    ASP- 105   2.83 +/- 0.46  44.581% * 37.1746% (0.34   2.56   3.00) =  35.870%  kept
          QD2   LEU   40 - HN    ASP- 105   7.36 +/- 2.23   4.091% *  0.4152% (0.49   0.02   0.02) =   0.037%
          QD1   LEU   67 - HN    ASP- 105  11.90 +/- 3.48   1.319% *  0.3824% (0.45   0.02   0.02) =   0.011%
          HB    VAL   75 - HN    ASP- 105  14.58 +/- 1.48   0.342% *  0.8455% (0.99   0.02   0.02) =   0.006%
          QD1   ILE  119 - HN    ASP- 105  12.93 +/- 2.47   0.611% *  0.4152% (0.49   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HN    ASP- 105  18.13 +/- 2.07   0.171% *  0.2127% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.24 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 = 0.979, support = 3.8, residual support = 23.0:
          HB2   ASP- 105 - HN    LYS+ 106   2.91 +/- 0.38  91.531% * 91.1743% (0.98   3.81  23.02) =  99.849%  kept
          HG12  ILE  119 - HN    LYS+ 106  13.79 +/- 3.47   1.588% *  6.9876% (0.41   0.70   0.02) =   0.133%  kept
          HB2   MET   96 - HN    LYS+ 106   8.56 +/- 0.79   4.400% *  0.1509% (0.31   0.02   2.13) =   0.008%
          HG2   GLU- 100 - HN    LYS+ 106  15.58 +/- 1.50   0.793% *  0.3736% (0.76   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    LYS+ 106  15.90 +/- 1.44   0.663% *  0.4384% (0.90   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  20.92 +/- 1.76   0.293% *  0.4083% (0.84   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    LYS+ 106  23.88 +/- 3.03   0.302% *  0.3914% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  18.89 +/- 1.62   0.431% *  0.0754% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.969, support = 5.3, residual support = 129.8:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.78 +/- 0.26  68.492% * 86.3802% (0.98  10.0   5.38 135.65) =  94.805%  kept
          HB3   ASP- 105 - HN    LYS+ 106   4.01 +/- 0.23  24.991% * 12.9559% (0.76   1.0   3.85  23.02) =   5.188%  kept
          HB    ILE  103 - HN    LYS+ 106   7.57 +/- 0.70   3.868% *  0.0605% (0.69   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LYS+ 106  16.35 +/- 2.70   0.438% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LYS+ 106  20.29 +/- 1.53   0.199% *  0.0813% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.13 +/- 1.36   0.477% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.43 +/- 1.59   0.201% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.51 +/- 3.30   0.250% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.68 +/- 2.61   0.212% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.51 +/- 2.74   0.287% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  22.22 +/- 2.60   0.155% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  20.03 +/- 1.83   0.201% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  19.85 +/- 2.76   0.228% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 2.55, residual support = 3.0:
          QG2   THR  118 - HN    LYS+ 106   8.50 +/- 4.54 100.000% *100.0000% (0.53   2.55   3.00) = 100.000%  kept
    Distance limit 4.70 A violated in 9 structures by 3.93 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 44.1:
          HB2   PHE   95 - HN    VAL  107   3.20 +/- 0.68 100.000% *100.0000% (1.00   2.31  44.08) = 100.000%  kept
    Distance limit 4.42 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   2.60 +/- 0.43  93.989% * 99.7350% (0.99  10.0   3.33  60.17) =  99.996%  kept
          HB3   PHE   45 - HN    VAL  107   9.46 +/- 1.66   3.306% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    VAL  107  11.30 +/- 2.06   1.861% *  0.0691% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    VAL  107  20.42 +/- 2.48   0.297% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  17.77 +/- 2.30   0.375% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.42 +/- 2.84   0.172% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.52, support = 5.04, residual support = 25.7:
          QB    LYS+ 106 - HN    VAL  107   3.29 +/- 0.12  76.335% * 84.8488% (0.53   5.11  26.29) =  97.908%  kept
          HB3   ASP- 105 - HN    VAL  107   6.22 +/- 0.36  12.063% * 11.1456% (0.25   1.42   0.02) =   2.032%  kept
          HB2   MET   92 - HN    VAL  107  11.63 +/- 1.00   1.875% *  0.5655% (0.90   0.02   0.02) =   0.016%
          HB    ILE   56 - HN    VAL  107  13.04 +/- 2.49   1.620% *  0.5821% (0.92   0.02   0.02) =   0.014%
          HB    ILE  103 - HN    VAL  107   9.39 +/- 0.56   3.444% *  0.1248% (0.20   0.02   0.02) =   0.006%
          HB3   PRO   58 - HN    VAL  107  16.71 +/- 2.52   0.832% *  0.4579% (0.73   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    VAL  107  17.90 +/- 2.30   0.581% *  0.6181% (0.98   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HN    VAL  107  20.32 +/- 1.37   0.350% *  0.6250% (0.99   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    VAL  107  17.11 +/- 1.30   0.597% *  0.2592% (0.41   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    VAL  107  19.40 +/- 2.08   0.437% *  0.3069% (0.49   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL  107  17.85 +/- 2.38   0.656% *  0.1404% (0.22   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL  107  18.04 +/- 2.91   0.831% *  0.1104% (0.18   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    VAL  107  19.73 +/- 1.27   0.376% *  0.2151% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.97 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 = 4.13, residual support = 60.1:
          QG1   VAL  107 - HN    VAL  107   2.83 +/- 0.53  87.432% * 91.2271% (0.20   4.14  60.17) =  99.823%  kept
          HG13  ILE  119 - HN    VAL  107  12.26 +/- 2.34   1.957% *  2.2080% (0.99   0.02   0.02) =   0.054%
          HG2   LYS+ 121 - HN    VAL  107  13.37 +/- 5.82   5.423% *  0.5555% (0.25   0.02   0.02) =   0.038%
          QG1   VAL   24 - HN    VAL  107  16.81 +/- 3.32   2.515% *  1.0843% (0.49   0.02   0.02) =   0.034%
          HD3   LYS+ 112 - HN    VAL  107  12.99 +/- 1.81   1.457% *  1.3512% (0.61   0.02   0.02) =   0.025%
          HB3   LEU   31 - HN    VAL  107  16.92 +/- 3.26   0.579% *  2.2227% (1.00   0.02   0.02) =   0.016%
          QB    ALA   20 - HN    VAL  107  16.65 +/- 1.86   0.638% *  1.3512% (0.61   0.02   0.02) =   0.011%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.72, residual support = 65.1:
      O   HB    VAL  108 - HN    VAL  108   2.76 +/- 0.43  93.413% * 99.4150% (0.95  10.0   4.72  65.09) =  99.995%  kept
          HB2   PRO   93 - HN    VAL  108  10.57 +/- 1.54   2.289% *  0.0994% (0.95   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    VAL  108  13.75 +/- 2.56   1.152% *  0.0803% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    VAL  108  17.30 +/- 2.98   0.561% *  0.1030% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    VAL  108  21.56 +/- 2.06   0.243% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.57 +/- 0.69   0.231% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  15.78 +/- 3.57   0.831% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  16.04 +/- 2.91   0.655% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.85 +/- 2.67   0.213% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  22.49 +/- 2.62   0.250% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.56 +/- 2.32   0.103% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  35.22 +/- 4.25   0.058% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 19.8:
          QG2   VAL  107 - HN    VAL  108   3.30 +/- 0.32  90.623% * 92.9854% (0.28   3.64  19.81) =  99.887%  kept
          HG13  ILE  119 - HN    VAL  108  13.74 +/- 1.83   1.695% *  1.7399% (0.95   0.02   0.02) =   0.035%
          HG2   LYS+ 121 - HN    VAL  108  15.07 +/- 5.33   3.193% *  0.8953% (0.49   0.02   0.02) =   0.034%
          HD3   LYS+ 112 - HN    VAL  108  11.94 +/- 1.28   2.481% *  0.6274% (0.34   0.02   0.02) =   0.018%
          QB    ALA   20 - HN    VAL  108  19.09 +/- 1.98   0.536% *  1.5955% (0.87   0.02   0.02) =   0.010%
          HB3   LEU   31 - HN    VAL  108  20.68 +/- 3.34   0.503% *  1.6979% (0.92   0.02   0.02) =   0.010%
          QG1   VAL   24 - HN    VAL  108  19.16 +/- 3.33   0.970% *  0.4586% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.8:
          QG1   VAL  107 - HN    VAL  108   3.98 +/- 0.27  89.669% * 95.7588% (0.25   4.66  19.81) =  99.851%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.70 +/- 1.20   6.290% *  1.0003% (0.61   0.02   0.02) =   0.073%
          HG    LEU   63 - HN    VAL  108  14.51 +/- 2.60   2.532% *  1.5916% (0.97   0.02   0.02) =   0.047%
          QG2   VAL   24 - HN    VAL  108  18.25 +/- 3.22   1.509% *  1.6492% (1.00   0.02   0.02) =   0.029%
    Distance limit 3.51 A violated in 0 structures by 0.48 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.4:
      O   HA    VAL   75 - HN    ASP-  76   2.21 +/- 0.04  97.934% * 99.6957% (0.69  10.0   4.64  26.36) =  99.998%  kept
          HA    ALA   61 - HN    ASP-  76  10.84 +/- 2.35   1.228% *  0.0997% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ASP-  76  16.35 +/- 3.03   0.449% *  0.1340% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ASP-  76  16.48 +/- 2.46   0.390% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 3.65, residual support = 35.6:
      O   HB2   ASP-  76 - HN    ASP-  76   2.82 +/- 0.46  88.911% * 96.2831% (1.00  10.0   3.66  35.69) =  99.700%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.05 +/- 1.00   7.185% *  3.5648% (0.73   1.0   1.02   4.73) =   0.298%  kept
          HB2   ASN   69 - HN    ASP-  76  19.01 +/- 2.08   0.456% *  0.0944% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  66 - HN    ASP-  76  15.69 +/- 3.52   1.819% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.88 +/- 3.32   0.672% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  15.30 +/- 3.53   0.957% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 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   3.31 +/- 0.48  79.492% * 94.0337% (0.28  10.0   3.71  35.69) =  99.440%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.12 +/- 1.18   9.705% *  4.1029% (0.45   1.0   0.54   0.02) =   0.530%  kept
          QG    GLN   90 - HN    ASP-  76  12.58 +/- 2.33   2.060% *  0.2188% (0.65   1.0   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    ASP-  76  11.48 +/- 0.77   2.267% *  0.1915% (0.57   1.0   0.02   0.02) =   0.006%
          HG3   MET   92 - HN    ASP-  76  14.85 +/- 1.64   1.117% *  0.2934% (0.87   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    ASP-  76  17.51 +/- 2.15   1.008% *  0.3199% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HN    ASP-  76  16.85 +/- 4.13   0.958% *  0.3199% (0.95   1.0   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    ASP-  76  18.16 +/- 4.19   1.717% *  0.1154% (0.34   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    ASP-  76  17.14 +/- 2.90   0.843% *  0.1646% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  19.04 +/- 1.64   0.474% *  0.1646% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.17 +/- 2.46   0.359% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.4:
          QG1   VAL   75 - HN    ASP-  76   3.14 +/- 0.41  95.734% * 99.7155% (0.69   4.97  26.36) =  99.987%  kept
          QD1   LEU  115 - HN    ASP-  76  12.87 +/- 2.27   4.266% *  0.2845% (0.49   0.02   0.02) =   0.013%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.4:
          QG2   VAL   75 - HN    ASP-  76   3.42 +/- 0.61  95.407% * 99.6072% (0.98   4.64  26.36) =  99.981%  kept
          QG2   VAL   42 - HN    ASP-  76  10.70 +/- 1.49   4.593% *  0.3928% (0.90   0.02   0.02) =   0.019%
    Distance limit 4.41 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 = 9.34:
      O   HA2   GLY  109 - HN    GLY  109   2.56 +/- 0.27  96.887% * 99.3336% (0.43  10.0   2.20   9.34) =  99.996%  kept
          HA    THR  118 - HN    GLY  109  13.66 +/- 1.87   0.881% *  0.1522% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    GLY  109  15.04 +/- 1.69   0.574% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    GLY  109  14.98 +/- 2.74   0.672% *  0.1341% (0.58   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    GLY  109  15.80 +/- 2.37   0.550% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  16.04 +/- 2.08   0.436% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.685, support = 0.143, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   7.59 +/- 1.59  43.939% * 66.4204% (0.70   0.15   0.02) =  91.744%  kept
          HG12  ILE   89 - HN    GLY  109  12.58 +/- 3.60  17.072% *  8.9838% (0.73   0.02   0.02) =   4.821%  kept
          HD2   LYS+ 112 - HN    GLY  109  10.27 +/- 2.38  26.071% *  1.8422% (0.15   0.02   0.02) =   1.510%  kept
          HG2   LYS+  74 - HN    GLY  109  16.52 +/- 1.84   4.323% *  5.6462% (0.46   0.02   0.02) =   0.767%  kept
          HG    LEU   71 - HN    GLY  109  22.13 +/- 3.06   2.585% *  6.0220% (0.49   0.02   0.02) =   0.489%  kept
          HG3   LYS+  99 - HN    GLY  109  21.57 +/- 0.86   1.885% *  5.2703% (0.43   0.02   0.02) =   0.312%  kept
          HB3   LEU   71 - HN    GLY  109  21.83 +/- 2.95   2.641% *  2.3212% (0.19   0.02   0.02) =   0.193%  kept
          HG13  ILE   19 - HN    GLY  109  23.33 +/- 1.93   1.484% *  3.4938% (0.28   0.02   0.02) =   0.163%  kept
    Distance limit 4.63 A violated in 11 structures by 1.99 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 = 7.42:
          QG1   VAL  108 - HN    GLY  109   2.58 +/- 0.34  97.568% * 98.9381% (0.65   3.09   7.42) =  99.990%  kept
          QD1   LEU   40 - HN    GLY  109  15.15 +/- 2.20   1.123% *  0.5069% (0.52   0.02   0.02) =   0.006%
          QD2   LEU   67 - HN    GLY  109  16.31 +/- 2.85   0.635% *  0.3034% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    GLY  109  15.15 +/- 2.53   0.674% *  0.2517% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.05 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 = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   2.81 +/- 0.27  95.851% * 99.3336% (0.57  10.0   2.20   6.40) =  99.994%  kept
          HB2   TRP   49 - HN    ALA  110  15.83 +/- 3.37   0.997% *  0.1620% (0.92   1.0   0.02   0.02) =   0.002%
          HA    THR  118 - HN    ALA  110  13.87 +/- 1.52   1.027% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  15.17 +/- 1.59   0.820% *  0.1693% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    ALA  110  16.53 +/- 3.25   0.790% *  0.1341% (0.76   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  17.62 +/- 2.82   0.514% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.263, support = 0.684, residual support = 5.16:
          HG2   PRO   93 - HN    ALA  110   6.42 +/- 3.70  37.704% * 54.6666% (0.22   0.75   5.67) =  90.970%  kept
          HB3   PRO   52 - HN    ALA  110  11.30 +/- 4.19  11.423% *  6.4182% (0.98   0.02   0.02) =   3.236%  kept
          QB    LYS+ 106 - HN    ALA  110   9.31 +/- 1.18  18.340% *  1.2958% (0.20   0.02   0.02) =   1.049%  kept
          HG2   ARG+  54 - HN    ALA  110  14.25 +/- 3.35   6.428% *  3.1872% (0.49   0.02   0.02) =   0.904%  kept
          HB3   ASP- 105 - HN    ALA  110  13.90 +/- 1.46   5.814% *  2.9356% (0.45   0.02   0.02) =   0.753%  kept
          HG12  ILE  103 - HN    ALA  110  16.46 +/- 1.33   3.049% *  5.2431% (0.80   0.02   0.02) =   0.706%  kept
          HG    LEU  123 - HN    ALA  110  19.64 +/- 1.52   1.942% *  6.4182% (0.98   0.02   0.02) =   0.550%  kept
          HB    ILE  103 - HN    ALA  110  17.38 +/- 1.07   2.676% *  3.4450% (0.53   0.02   0.02) =   0.407%  kept
          HB3   GLN   90 - HN    ALA  110  14.61 +/- 3.14   4.879% *  1.8205% (0.28   0.02   0.02) =   0.392%  kept
          HB    VAL   41 - HN    ALA  110  19.12 +/- 2.60   2.080% *  4.2358% (0.65   0.02   0.02) =   0.389%  kept
          QB    LYS+  66 - HN    ALA  110  17.78 +/- 2.67   2.371% *  2.9356% (0.45   0.02   0.02) =   0.307%  kept
          HG3   PRO   68 - HN    ALA  110  22.77 +/- 3.94   0.983% *  3.7071% (0.57   0.02   0.02) =   0.161%  kept
          QB    LYS+  81 - HN    ALA  110  19.60 +/- 3.26   1.523% *  1.4578% (0.22   0.02   0.02) =   0.098%
          QB    LYS+  33 - HN    ALA  110  25.72 +/- 2.25   0.788% *  2.2335% (0.34   0.02   0.02) =   0.078%
    Distance limit 4.39 A violated in 10 structures by 1.65 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.68 +/- 0.34  91.962% * 98.9553% (0.69  10.0   2.12   9.58) =  99.992%  kept
          HB3   LEU  115 - HN    ALA  110   9.23 +/- 1.69   3.337% *  0.0592% (0.41   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ALA  110  14.24 +/- 3.36   1.312% *  0.1292% (0.90   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA  110  20.11 +/- 4.26   0.817% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA  110  18.46 +/- 2.91   0.409% *  0.1428% (0.99   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA  110  21.62 +/- 4.92   0.527% *  0.1046% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  19.94 +/- 3.71   0.332% *  0.1412% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ALA  110  22.80 +/- 1.27   0.165% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.62 +/- 2.92   0.282% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.27 +/- 3.71   0.327% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.94 +/- 2.96   0.155% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  20.56 +/- 4.09   0.375% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 7.04, residual support = 314.0:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.05 +/- 0.65  58.677% * 99.1696% (1.00  10.0   7.05 314.55) =  99.839%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.86 +/- 0.98  37.423% *  0.2458% (0.53   1.0   0.09   0.02) =   0.158%  kept
          HB3   PRO   68 - HN    LYS+ 111  23.26 +/- 3.82   0.566% *  0.0891% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 111  21.92 +/- 4.32   1.208% *  0.0373% (0.38   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LYS+ 111  12.30 +/- 1.16   1.084% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  25.14 +/- 3.62   0.165% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  25.51 +/- 3.13   0.137% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.09 +/- 4.04   0.124% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  22.88 +/- 2.57   0.185% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.73 +/- 3.35   0.138% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.75 +/- 2.95   0.163% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.05 +/- 2.25   0.129% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.48, residual support = 314.5:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.91 +/- 0.49  95.688% * 99.4649% (0.92  10.0   5.48 314.55) =  99.997%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  15.24 +/- 1.67   0.840% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    LYS+ 111  18.27 +/- 3.48   0.667% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+ 111  18.25 +/- 3.08   0.561% *  0.0863% (0.80   1.0   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    LYS+ 111  18.54 +/- 2.62   0.458% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.28 +/- 2.45   0.914% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  20.48 +/- 2.41   0.420% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.72 +/- 2.74   0.303% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.05 +/- 2.68   0.149% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.09 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.897, support = 6.46, residual support = 304.1:
          HG3   LYS+ 111 - HN    LYS+ 111   3.39 +/- 0.58  75.940% * 86.9457% (0.92   6.55 314.55) =  96.335%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.73 +/- 1.69  20.755% * 12.0732% (0.20   4.24  28.58) =   3.656%  kept
          HG12  ILE   89 - HN    LYS+ 111  16.51 +/- 3.45   1.009% *  0.2777% (0.97   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HN    LYS+ 111  17.76 +/- 3.14   0.873% *  0.1745% (0.61   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    LYS+ 111  22.87 +/- 3.75   0.388% *  0.1862% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  22.57 +/- 2.14   0.313% *  0.1629% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  23.88 +/- 2.68   0.292% *  0.1080% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.62 +/- 3.56   0.430% *  0.0718% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.11 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.94, residual support = 1.78:
          QD1   ILE   56 - HN    LYS+ 111   7.38 +/- 3.45  60.019% * 97.2095% (0.76   1.95   1.79) =  99.498%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.25 +/- 2.09  11.688% *  1.2619% (0.97   0.02   0.02) =   0.252%  kept
          QD2   LEU   73 - HN    LYS+ 111  16.63 +/- 3.47  10.764% *  0.6365% (0.49   0.02   0.02) =   0.117%  kept
          QD2   LEU  123 - HN    LYS+ 111  16.24 +/- 1.21  11.550% *  0.4460% (0.34   0.02   0.02) =   0.088%
          HG    LEU   31 - HN    LYS+ 111  23.39 +/- 4.08   5.979% *  0.4460% (0.34   0.02   0.02) =   0.045%
    Distance limit 3.86 A violated in 13 structures by 3.38 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.76, residual support = 237.7:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.82 +/- 0.06  82.720% * 99.8622% (0.87  10.0   5.76 237.75) =  99.992%  kept
          HB    THR   46 - HN    LYS+ 112  13.41 +/- 3.83  16.591% *  0.0393% (0.34   1.0   0.02   0.02) =   0.008%
          HB2   HIS  122 - HN    LYS+ 112  17.49 +/- 1.35   0.376% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  24.58 +/- 5.76   0.313% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.859, support = 6.93, residual support = 28.2:
          HB2   LYS+ 111 - HN    LYS+ 112   3.84 +/- 0.40  57.674% * 95.4597% (0.87   7.01  28.58) =  98.652%  kept
          QB    GLU- 114 - HN    LYS+ 112   4.98 +/- 0.50  29.237% *  2.5170% (0.28   0.58   0.82) =   1.319%  kept
          HB    ILE  119 - HN    LYS+ 112  10.93 +/- 1.13   3.073% *  0.1528% (0.49   0.02   0.02) =   0.008%
          HB    VAL  108 - HN    LYS+ 112  11.23 +/- 1.08   3.003% *  0.0873% (0.28   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    LYS+ 112  22.70 +/- 3.62   0.789% *  0.3139% (1.00   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    LYS+ 112  12.17 +/- 3.06   2.558% *  0.0699% (0.22   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    LYS+ 112  21.38 +/- 4.08   1.790% *  0.0550% (0.18   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LYS+ 112  24.20 +/- 3.57   0.313% *  0.2513% (0.80   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  24.92 +/- 3.75   0.272% *  0.2513% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  24.80 +/- 3.15   0.272% *  0.2513% (0.80   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  28.34 +/- 5.04   0.234% *  0.1904% (0.61   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.12 +/- 3.08   0.287% *  0.1528% (0.49   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+ 112  27.58 +/- 1.15   0.173% *  0.1777% (0.57   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    LYS+ 112  22.70 +/- 2.90   0.325% *  0.0699% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.74, residual support = 237.7:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.91 +/- 0.63  81.636% * 98.9690% (0.76  10.0   5.74 237.75) =  99.991%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.35 +/- 2.07  12.667% *  0.0200% (0.15   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LYS+ 112  15.83 +/- 2.31   0.778% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  19.43 +/- 3.99   0.730% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+ 112  19.23 +/- 2.51   0.596% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+ 112  15.33 +/- 0.89   0.764% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 112  18.85 +/- 3.65   0.790% *  0.0532% (0.41   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  18.19 +/- 0.99   0.448% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  16.01 +/- 2.06   0.790% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  27.04 +/- 4.99   0.153% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.29 +/- 1.09   0.155% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  27.30 +/- 2.75   0.130% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  22.87 +/- 3.86   0.363% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.857, support = 6.05, residual support = 237.7:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.78 +/- 0.56  58.106% * 84.1881% (0.90  10.0   5.96 237.75) =  90.319%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.22 +/- 1.30  33.560% * 15.6163% (0.49   1.0   6.84 237.75) =   9.676%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.39 +/- 0.97   6.826% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          QG2   THR   94 - HN    LYS+ 112  10.30 +/- 1.02   1.150% *  0.0814% (0.87   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  18.98 +/- 1.24   0.215% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  22.73 +/- 3.88   0.143% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 6.22, residual support = 237.4:
          HG2   LYS+ 112 - HN    LYS+ 112   3.68 +/- 0.63  83.348% * 98.1758% (0.34   6.23 237.75) =  99.862%  kept
          QB    ALA   47 - HN    LYS+ 112  11.46 +/- 3.25  10.584% *  0.7398% (0.80   0.02   0.02) =   0.096%
          QG1   VAL   42 - HN    LYS+ 112  11.78 +/- 1.82   4.058% *  0.6347% (0.69   0.02   0.02) =   0.031%
          QB    ALA   64 - HN    LYS+ 112  14.65 +/- 1.94   2.010% *  0.4497% (0.49   0.02   0.02) =   0.011%
    Distance limit 4.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.71, residual support = 7.53:
          QD1   ILE   56 - HN    LYS+ 112   6.63 +/- 3.04  63.861% * 96.8568% (0.76   1.72   7.57) =  99.539%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.39 +/- 1.18   9.451% *  1.4214% (0.97   0.02   0.02) =   0.216%  kept
          QD2   LEU  123 - HN    LYS+ 112  14.97 +/- 2.09  14.526% *  0.5024% (0.34   0.02   0.02) =   0.117%  kept
          QD2   LEU   73 - HN    LYS+ 112  16.85 +/- 3.67   8.501% *  0.7169% (0.49   0.02   0.02) =   0.098%
          HG    LEU   31 - HN    LYS+ 112  24.09 +/- 4.01   3.661% *  0.5024% (0.34   0.02   0.02) =   0.030%
    Distance limit 4.01 A violated in 12 structures by 2.58 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 237.7:
          HG3   LYS+ 112 - HN    LYS+ 112   3.11 +/- 0.70  92.894% * 99.2155% (0.87   5.92 237.75) =  99.985%  kept
          HG    LEU   63 - HN    LYS+ 112  13.93 +/- 2.65   1.811% *  0.3786% (0.98   0.02   0.02) =   0.007%
          QG2   VAL   24 - HN    LYS+ 112  20.30 +/- 4.38   1.379% *  0.3464% (0.90   0.02   0.02) =   0.005%
          QG2   VAL  108 - HN    LYS+ 112   9.75 +/- 0.70   3.916% *  0.0596% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.44 A violated in 0 structures by 0.14 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.5, residual support = 15.6:
      O   HA    LYS+ 112 - HN    ASP- 113   3.58 +/- 0.04  85.810% * 99.8622% (0.74  10.0   5.50  15.61) =  99.993%  kept
          HB    THR   46 - HN    ASP- 113  14.93 +/- 3.63  11.890% *  0.0393% (0.29   1.0   0.02   0.02) =   0.005%
          HB2   HIS  122 - HN    ASP- 113  16.40 +/- 1.11   0.945% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  25.09 +/- 6.56   1.355% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 3.49, residual support = 14.5:
      O   QB    ASP- 113 - HN    ASP- 113   2.27 +/- 0.22 100.000% *100.0000% (0.82  10.0   3.49  14.48) = 100.000%  kept
    Distance limit 3.15 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 = 3.21, residual support = 23.3:
          QG    GLU- 114 - HN    ASP- 113   4.74 +/- 0.46  71.345% * 94.2280% (0.26   3.22  23.46) =  99.532%  kept
          HG2   PRO   52 - HN    ASP- 113  13.41 +/- 4.95  14.235% *  1.4472% (0.65   0.02   0.02) =   0.305%  kept
          HB2   PRO   58 - HN    ASP- 113  12.73 +/- 2.38   6.667% *  0.9217% (0.41   0.02   0.02) =   0.091%
          HG2   MET   92 - HN    ASP- 113  13.43 +/- 3.22   5.827% *  0.4722% (0.21   0.02   0.02) =   0.041%
          HG3   GLU-  25 - HN    ASP- 113  30.08 +/- 6.28   0.792% *  1.7480% (0.79   0.02   0.02) =   0.020%
          HB2   GLU-  79 - HN    ASP- 113  23.25 +/- 3.68   0.835% *  0.7107% (0.32   0.02   0.02) =   0.009%
          HG3   GLU-  36 - HN    ASP- 113  31.65 +/- 3.75   0.299% *  0.4722% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.17 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 2.73, residual support = 11.2:
          HB2   LYS+ 111 - HN    ASP- 113   4.04 +/- 0.63  52.740% * 52.1096% (0.85   2.19   3.52) =  61.265%  kept
          QB    GLU- 114 - HN    ASP- 113   4.55 +/- 0.33  38.508% * 45.0798% (0.45   3.59  23.46) =  38.698%  kept
          HB    ILE  119 - HN    ASP- 113   9.51 +/- 0.86   4.910% *  0.1191% (0.21   0.02   0.02) =   0.013%
          HB3   PRO   68 - HN    ASP- 113  22.34 +/- 3.54   0.571% *  0.4285% (0.76   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    ASP- 113  20.99 +/- 4.06   1.148% *  0.1793% (0.32   0.02   0.02) =   0.005%
          HB2   GLN   17 - HN    ASP- 113  23.95 +/- 3.76   0.326% *  0.4684% (0.84   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    ASP- 113  24.41 +/- 3.47   0.318% *  0.4684% (0.84   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    ASP- 113  28.89 +/- 5.68   0.324% *  0.4145% (0.74   0.02   0.02) =   0.003%
          HG3   GLN   30 - HN    ASP- 113  25.02 +/- 4.09   0.317% *  0.2514% (0.45   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASP- 113  22.71 +/- 3.19   0.345% *  0.2142% (0.38   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ASP- 113  24.24 +/- 3.38   0.311% *  0.1191% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  27.36 +/- 1.38   0.182% *  0.1475% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.17, residual support = 15.6:
          HB2   LYS+ 112 - HN    ASP- 113   3.49 +/- 0.25  86.227% * 96.1298% (0.65   5.17  15.61) =  99.963%  kept
          HB    VAL   42 - HN    ASP- 113  15.81 +/- 2.45   1.252% *  0.4488% (0.79   0.02   0.02) =   0.007%
          HB3   PRO   93 - HN    ASP- 113  10.01 +/- 1.78   5.723% *  0.0750% (0.13   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    ASP- 113  20.05 +/- 4.06   0.828% *  0.4217% (0.74   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ASP- 113  19.36 +/- 2.39   0.747% *  0.4488% (0.79   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    ASP- 113  15.77 +/- 0.99   1.003% *  0.3145% (0.55   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ASP- 113  14.63 +/- 2.16   1.580% *  0.1825% (0.32   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  18.41 +/- 1.01   0.617% *  0.3339% (0.59   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ASP- 113  19.55 +/- 3.77   0.889% *  0.1999% (0.35   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    ASP- 113  26.87 +/- 5.18   0.304% *  0.4488% (0.79   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    ASP- 113  27.13 +/- 3.22   0.212% *  0.4692% (0.82   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ASP- 113  25.40 +/- 1.33   0.234% *  0.4061% (0.71   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  24.36 +/- 3.83   0.384% *  0.1212% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.08 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.672, support = 4.94, residual support = 15.4:
          HB3   LYS+ 112 - HN    ASP- 113   3.53 +/- 0.61  56.794% * 58.1380% (0.76   4.78  15.61) =  74.462%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.00 +/- 0.94  29.260% * 36.9829% (0.41   5.60  15.61) =  24.403%  kept
          QG2   VAL  107 - HN    ASP- 113   6.72 +/- 1.06  11.401% *  4.3678% (0.17   1.63   0.11) =   1.123%  kept
          QG2   THR   94 - HN    ASP- 113  11.36 +/- 0.98   1.855% *  0.2353% (0.74   0.02   0.02) =   0.010%
          HG13  ILE  103 - HN    ASP- 113  19.43 +/- 1.04   0.377% *  0.1645% (0.52   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    ASP- 113  22.60 +/- 4.13   0.313% *  0.1115% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 3.37, residual support = 23.5:
      O   HA    ASP- 113 - HN    GLU- 114   3.55 +/- 0.04  88.078% * 99.6702% (1.00  10.0   3.37  23.46) =  99.992%  kept
          HA    ILE   56 - HN    GLU- 114   9.89 +/- 2.40   5.903% *  0.0606% (0.61   1.0   0.02   0.02) =   0.004%
          HA    PHE   59 - HN    GLU- 114  11.01 +/- 1.29   3.705% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    GLU- 114  16.32 +/- 0.78   0.932% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  20.39 +/- 1.70   0.500% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  26.03 +/- 4.40   0.415% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  21.53 +/- 2.73   0.467% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 3.37, residual support = 23.5:
          QB    ASP- 113 - HN    GLU- 114   2.98 +/- 0.25  98.865% * 99.8632% (0.97   3.37  23.46) =  99.998%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.67 +/- 1.45   1.135% *  0.1368% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.51 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 = 4.27, residual support = 43.4:
          QG    GLU- 114 - HN    GLU- 114   2.73 +/- 0.49  96.141% * 97.6624% (0.84   4.27  43.39) =  99.980%  kept
          HG2   PRO   52 - HN    GLU- 114  13.99 +/- 4.33   1.908% *  0.5362% (0.98   0.02   0.02) =   0.011%
          HG2   MET   92 - HN    GLU- 114  13.26 +/- 2.95   1.384% *  0.4181% (0.76   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    GLU- 114  29.26 +/- 5.82   0.246% *  0.4745% (0.87   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    GLU- 114  22.58 +/- 3.01   0.221% *  0.4906% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  30.12 +/- 3.84   0.100% *  0.4181% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.838, support = 4.1, residual support = 41.6:
      O   QB    GLU- 114 - HN    GLU- 114   2.22 +/- 0.20  72.108% * 89.2915% (0.84  10.0   4.18  43.39) =  95.912%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.66 +/- 0.94  27.021% * 10.1527% (0.90   1.0   2.12   0.02) =   4.087%  kept
          HG2   PRO   68 - HN    GLU- 114  20.05 +/- 4.16   0.319% *  0.0734% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  21.42 +/- 3.58   0.156% *  0.0648% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  23.31 +/- 3.53   0.079% *  0.1011% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  21.70 +/- 2.99   0.095% *  0.0817% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  23.64 +/- 3.29   0.075% *  0.1011% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  28.06 +/- 5.24   0.067% *  0.1069% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  23.83 +/- 3.97   0.080% *  0.0267% (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 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 0.1, residual support = 0.02:
          HB3   LYS+ 111 - HN    GLU- 114   3.72 +/- 0.51  84.506% * 48.8465% (0.92   0.10   0.02) =  97.293%  kept
          QD    LYS+  66 - HN    GLU- 114  16.60 +/- 3.30   4.798% *  8.2478% (0.80   0.02   0.02) =   0.933%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.15 +/- 1.34   3.288% * 10.0963% (0.98   0.02   0.02) =   0.782%  kept
          HD2   LYS+ 121 - HN    GLU- 114  12.10 +/- 2.08   3.132% *  4.2345% (0.41   0.02   0.02) =   0.313%  kept
          HD3   LYS+  74 - HN    GLU- 114  18.11 +/- 3.49   1.414% *  9.2375% (0.90   0.02   0.02) =   0.308%  kept
          HG    LEU  104 - HN    GLU- 114  17.79 +/- 2.39   0.961% * 10.0963% (0.98   0.02   0.02) =   0.229%  kept
          HG2   LYS+  65 - HN    GLU- 114  19.17 +/- 2.08   0.947% *  3.5135% (0.34   0.02   0.02) =   0.078%
          QG2   THR   26 - HN    GLU- 114  21.11 +/- 3.61   0.645% *  2.8638% (0.28   0.02   0.02) =   0.044%
          HG2   LYS+  33 - HN    GLU- 114  25.84 +/- 3.19   0.309% *  2.8638% (0.28   0.02   0.02) =   0.021%
    Distance limit 4.20 A violated in 0 structures by 0.03 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.478, support = 1.38, residual support = 4.21:
          QG2   VAL  107 - HN    GLU- 114   5.06 +/- 1.24  54.388% * 44.2292% (0.53   1.33   5.55) =  73.075%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.44 +/- 0.80  29.850% * 19.3642% (0.15   1.98   0.82) =  17.559%  kept
          HG13  ILE  119 - HN    GLU- 114   9.58 +/- 1.36   9.140% * 33.1042% (0.73   0.72   0.11) =   9.192%  kept
          HG2   LYS+ 121 - HN    GLU- 114  13.24 +/- 1.82   3.280% *  0.9695% (0.76   0.02   0.02) =   0.097%
          QB    ALA   20 - HN    GLU- 114  18.70 +/- 3.34   1.306% *  1.2658% (1.00   0.02   0.02) =   0.050%
          HB3   LEU   31 - HN    GLU- 114  23.23 +/- 4.43   0.782% *  0.8714% (0.69   0.02   0.02) =   0.021%
          HG13  ILE  103 - HN    GLU- 114  17.43 +/- 1.21   1.255% *  0.1957% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.21 +/- 0.51  95.856% * 99.4046% (0.57  10.0   3.85  14.93) =  99.995%  kept
          HA    GLN   30 - HN    GLY  101  14.47 +/- 3.71   2.557% *  0.1065% (0.61   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    GLY  101  22.14 +/- 7.12   1.022% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  26.54 +/- 2.21   0.209% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.93 +/- 2.25   0.214% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  30.31 +/- 2.47   0.141% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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   2.68 +/- 0.29  99.116% * 99.9154% (0.53  10.0   2.86  15.43) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.93 +/- 4.13   0.734% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  24.50 +/- 1.21   0.149% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 6.38, residual support = 75.6:
      O   HA    GLU- 100 - HN    GLU- 100   2.31 +/- 0.14  98.374% * 99.4046% (0.57  10.0   6.38  75.63) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  12.65 +/- 3.12   1.177% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLU- 100  22.38 +/- 6.20   0.207% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.37 +/- 1.96   0.083% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.29 +/- 2.60   0.108% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.42 +/- 2.21   0.052% *  0.0924% (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 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.28, residual support = 75.5:
          HG3   GLU- 100 - HN    GLU- 100   3.22 +/- 0.56  76.809% * 97.4312% (0.69   4.29  75.63) =  99.809%  kept
          HB2   PRO   68 - HN    GLU- 100  15.70 +/- 6.55  17.302% *  0.6485% (0.98   0.02   0.02) =   0.150%  kept
          QB    GLN   32 - HN    GLU- 100  12.08 +/- 3.00   3.028% *  0.6485% (0.98   0.02   0.02) =   0.026%
          HB    VAL   24 - HN    GLU- 100  18.37 +/- 4.52   1.542% *  0.6258% (0.95   0.02   0.02) =   0.013%
          HB2   GLU-  14 - HN    GLU- 100  20.06 +/- 4.46   0.630% *  0.1473% (0.22   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  23.93 +/- 3.11   0.257% *  0.1839% (0.28   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLU- 100  25.54 +/- 5.91   0.310% *  0.1309% (0.20   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  29.07 +/- 2.57   0.123% *  0.1839% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 39.8:
          HB2   LYS+  99 - HN    GLU- 100   4.23 +/- 0.24  94.598% * 99.1218% (0.73   5.59  39.76) =  99.979%  kept
          HB    VAL   43 - HN    GLU- 100  12.86 +/- 1.52   4.027% *  0.4081% (0.84   0.02   0.02) =   0.018%
          QD    LYS+  81 - HN    GLU- 100  25.27 +/- 3.87   0.633% *  0.3734% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    GLU- 100  23.72 +/- 4.24   0.742% *  0.0967% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.37, residual support = 39.7:
          HG2   LYS+  99 - HN    GLU- 100   2.95 +/- 0.55  85.399% * 98.3909% (0.90   6.37  39.76) =  99.954%  kept
          HG2   LYS+  38 - HN    GLU- 100   9.43 +/- 4.85   8.517% *  0.3323% (0.97   0.02   0.02) =   0.034%
          HB2   LEU   31 - HN    GLU- 100  11.86 +/- 3.39   2.790% *  0.1950% (0.57   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    GLU- 100  17.19 +/- 1.96   0.623% *  0.2089% (0.61   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    GLU- 100  21.88 +/- 4.02   0.371% *  0.3257% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 100  22.17 +/- 5.68   0.759% *  0.1416% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLU- 100  17.04 +/- 3.46   0.718% *  0.1063% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  16.59 +/- 1.84   0.619% *  0.0767% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  24.33 +/- 2.64   0.203% *  0.2228% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 4.79, residual support = 174.4:
      O   HB2   LYS+  99 - HN    LYS+  99   3.17 +/- 0.29  89.164% * 99.7262% (0.99  10.0   4.79 174.46) =  99.996%  kept
          HB    VAL   43 - HN    LYS+  99  10.89 +/- 1.35   2.825% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LYS+  99  20.40 +/- 2.90   0.471% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  24.07 +/- 3.67   0.245% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  15.46 +/- 3.27   2.700% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  13.48 +/- 2.77   1.722% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  13.52 +/- 2.63   2.349% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  21.13 +/- 5.37   0.524% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.88, residual support = 17.7:
          QB    LEU   98 - HN    LYS+  99   3.21 +/- 0.37  62.549% * 93.6186% (0.57   3.88  17.72) =  99.904%  kept
          HD3   LYS+ 121 - HN    LYS+  99  16.16 +/- 6.56   1.572% *  0.7387% (0.87   0.02   0.02) =   0.020%
          HB3   LEU   67 - HN    LYS+  99  14.71 +/- 3.86   1.332% *  0.3818% (0.45   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    LYS+  99  16.02 +/- 2.60   0.655% *  0.7637% (0.90   0.02   0.02) =   0.009%
          HG    LEU   80 - HN    LYS+  99  20.72 +/- 6.26   0.696% *  0.6819% (0.80   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LYS+  99  17.54 +/- 2.12   0.655% *  0.7113% (0.84   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    LYS+  99  20.44 +/- 5.24   0.541% *  0.8219% (0.97   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    LYS+  99  17.44 +/- 1.59   0.500% *  0.7113% (0.84   0.02   0.02) =   0.006%
          HG12  ILE   19 - HN    GLN   30   8.47 +/- 1.76   6.865% *  0.0502% (0.06   0.02  14.80) =   0.006%
          QG    LYS+  66 - HN    LYS+  99  16.92 +/- 4.46   1.366% *  0.2368% (0.28   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    LYS+  99  16.67 +/- 2.03   0.557% *  0.5165% (0.61   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    LYS+  99  14.89 +/- 2.56   1.115% *  0.1314% (0.15   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LYS+  99  20.88 +/- 3.63   0.353% *  0.2628% (0.31   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    GLN   30  17.80 +/- 7.85   1.796% *  0.0448% (0.05   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN   30   8.41 +/- 3.55   8.458% *  0.0086% (0.01   0.02   3.13) =   0.001%
          HB2   LEU   80 - HN    GLN   30  17.83 +/- 6.82   1.186% *  0.0540% (0.06   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  12.76 +/- 1.62   1.349% *  0.0467% (0.05   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.15 +/- 2.77   1.968% *  0.0317% (0.04   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    GLN   30  22.45 +/- 5.81   1.166% *  0.0485% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  14.96 +/- 2.87   1.238% *  0.0339% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  13.11 +/- 4.20   2.323% *  0.0173% (0.02   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN   30  15.72 +/- 1.55   0.669% *  0.0251% (0.03   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  17.80 +/- 2.92   0.829% *  0.0156% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.97 +/- 2.51   0.263% *  0.0467% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.758, support = 3.59, residual support = 18.3:
          QD2   LEU  104 - HN    LYS+  99   2.84 +/- 1.10  52.736% * 50.0915% (0.80   3.44  18.67) =  63.704%  kept
          QD1   LEU   98 - HN    LYS+  99   3.92 +/- 0.86  30.876% * 48.4622% (0.69   3.88  17.72) =  36.084%  kept
          QD1   ILE   19 - HN    GLN   30   6.81 +/- 1.56   8.732% *  0.9691% (0.04   1.25  14.80) =   0.204%  kept
          QD1   ILE   19 - HN    LYS+  99  13.53 +/- 2.34   0.714% *  0.2355% (0.65   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    LYS+  99  15.74 +/- 2.10   0.533% *  0.0810% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    GLN   30  14.20 +/- 2.92   1.723% *  0.0191% (0.05   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  12.03 +/- 2.65   2.008% *  0.0164% (0.05   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+  99  16.95 +/- 1.09   0.271% *  0.1124% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    GLN   30  10.80 +/- 2.07   1.971% *  0.0053% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  15.40 +/- 2.35   0.437% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.846, support = 4.22, residual support = 18.2:
          QD1   LEU  104 - HN    LYS+  99   4.05 +/- 0.72  42.245% * 91.2295% (0.87   4.28  18.67) =  97.347%  kept
          QD1   LEU   73 - HN    GLN   30   6.64 +/- 3.62  24.348% *  3.3188% (0.06   2.37   3.13) =   2.041%  kept
          QD1   LEU  104 - HN    GLN   30  14.41 +/- 3.68   9.681% *  1.1151% (0.06   0.80   0.02) =   0.273%  kept
          QD2   LEU   80 - HN    GLN   30  14.02 +/- 6.65   5.714% *  1.4280% (0.07   0.89   0.02) =   0.206%  kept
          QD1   LEU   63 - HN    GLN   30  13.78 +/- 3.03   2.510% *  0.6848% (0.06   0.49   0.02) =   0.043%
          QD1   LEU   73 - HN    LYS+  99  12.43 +/- 2.26   2.199% *  0.4264% (0.87   0.02   0.02) =   0.024%
          QD1   LEU   63 - HN    LYS+  99  12.66 +/- 2.91   1.949% *  0.4264% (0.87   0.02   0.02) =   0.021%
          QD2   LEU   80 - HN    LYS+  99  17.21 +/- 5.00   1.103% *  0.4873% (0.99   0.02   0.02) =   0.014%
          QD2   LEU  115 - HN    LYS+  99  15.37 +/- 1.69   0.996% *  0.4905% (1.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - HN    LYS+  99  15.71 +/- 5.31   1.906% *  0.2021% (0.41   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    LYS+  99  12.43 +/- 2.99   2.287% *  0.1367% (0.28   0.02   0.02) =   0.008%
          QG1   VAL   83 - HN    GLN   30  15.34 +/- 6.32   2.829% *  0.0133% (0.03   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  17.82 +/- 3.74   0.849% *  0.0322% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  14.15 +/- 2.43   1.384% *  0.0090% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.22 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   4.22 +/- 0.41  82.905% * 97.5044% (0.65   3.96  10.68) =  99.880%  kept
          HB2   GLU- 100 - HN    LEU   98   9.24 +/- 0.61   8.479% *  0.6820% (0.90   0.02   0.02) =   0.071%
          QG    GLU-  79 - HN    LEU   98  16.75 +/- 2.90   2.868% *  0.6352% (0.84   0.02   0.02) =   0.023%
          QG    GLN   32 - HN    LEU   98  14.45 +/- 2.53   2.529% *  0.4001% (0.53   0.02   0.02) =   0.013%
          HB2   GLN  116 - HN    LEU   98  17.28 +/- 1.54   1.325% *  0.6089% (0.80   0.02   0.02) =   0.010%
          HB2   PRO   58 - HN    LEU   98  18.39 +/- 2.93   1.894% *  0.1693% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.705, support = 3.97, residual support = 27.7:
          HB    VAL   41 - HN    LEU   98   5.31 +/- 1.90  30.149% * 43.0709% (0.65   4.91  25.77) =  47.937%  kept
          HG12  ILE  103 - HN    LEU   98   4.71 +/- 0.67  33.399% * 36.5500% (0.80   3.37  31.09) =  45.065%  kept
          HB    ILE  103 - HN    LEU   98   6.70 +/- 0.77  11.676% *  8.6461% (0.53   1.21  31.09) =   3.727%  kept
          HB3   ASP- 105 - HN    LEU   98   7.06 +/- 0.38   8.494% *  9.8272% (0.45   1.62   6.08) =   3.081%  kept
          QB    LYS+ 106 - HN    LEU   98   8.27 +/- 0.50   5.517% *  0.6792% (0.20   0.25   0.02) =   0.138%  kept
          QB    LYS+  66 - HN    LEU   98  13.10 +/- 4.12   4.796% *  0.1215% (0.45   0.02   0.02) =   0.022%
          HG3   PRO   68 - HN    LEU   98  14.29 +/- 4.15   2.035% *  0.1534% (0.57   0.02   0.02) =   0.012%
          HG    LEU  123 - HN    LEU   98  17.84 +/- 4.36   0.674% *  0.2656% (0.98   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LEU   98  13.49 +/- 1.62   1.283% *  0.0924% (0.34   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    LEU   98  22.78 +/- 1.88   0.272% *  0.2656% (0.98   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU   98  22.39 +/- 2.46   0.301% *  0.1319% (0.49   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   98  16.98 +/- 0.50   0.586% *  0.0603% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU   98  20.24 +/- 3.07   0.494% *  0.0603% (0.22   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   98  21.87 +/- 2.17   0.324% *  0.0754% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.831, support = 4.84, residual support = 76.1:
      O   QB    LEU   98 - HN    LEU   98   2.78 +/- 0.32  69.841% * 97.2670% (0.84  10.0   4.85  76.52) =  99.418%  kept
          HB    VAL   42 - HN    LEU   98   5.51 +/- 2.21  19.468% *  2.0068% (0.18   1.0   1.97   0.41) =   0.572%  kept
          HD3   LYS+ 121 - HN    LEU   98  13.98 +/- 5.81   1.886% *  0.1162% (1.00   1.0   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    LEU   98  13.82 +/- 2.04   0.946% *  0.1154% (0.99   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   98  13.66 +/- 2.40   0.917% *  0.0753% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  17.79 +/- 4.71   0.545% *  0.1141% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  11.58 +/- 3.32   2.137% *  0.0259% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  14.77 +/- 1.31   0.589% *  0.0659% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   98  18.19 +/- 5.70   0.622% *  0.0613% (0.53   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LEU   98  13.35 +/- 1.91   0.949% *  0.0397% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LEU   98  16.00 +/- 4.04   1.104% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.85 +/- 1.80   0.744% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.78 +/- 3.08   0.253% *  0.0659% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.934, support = 4.14, residual support = 13.6:
          QD2   LEU   40 - HN    LEU   98   4.62 +/- 2.89  39.529% * 69.4097% (0.97   4.67   9.44) =  80.508%  kept
          QG2   ILE  103 - HN    LEU   98   5.07 +/- 0.85  22.333% * 27.1349% (0.87   2.03  31.09) =  17.782%  kept
          QD1   ILE  103 - HN    LEU   98   5.31 +/- 1.05  20.914% *  2.6195% (0.20   0.86  31.09) =   1.608%  kept
          QD1   LEU   67 - HN    LEU   98   8.93 +/- 3.20   8.171% *  0.2913% (0.95   0.02   0.02) =   0.070%
          QD2   LEU   71 - HN    LEU   98   9.85 +/- 2.98   6.686% *  0.0856% (0.28   0.02   0.02) =   0.017%
          HB    VAL   75 - HN    LEU   98  11.43 +/- 1.45   1.504% *  0.2236% (0.73   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HN    LEU   98  14.72 +/- 2.14   0.863% *  0.2353% (0.76   0.02   0.02) =   0.006%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.57, support = 3.39, residual support = 48.0:
          QD1   LEU   98 - HN    LEU   98   3.81 +/- 0.98  34.427% * 46.4874% (0.38   4.71  76.52) =  54.852%  kept
          QD2   LEU  104 - HN    LEU   98   4.73 +/- 1.10  25.728% * 39.8713% (0.99   1.53  10.15) =  35.158%  kept
          QG1   VAL   41 - HN    LEU   98   5.20 +/- 1.81  24.159% * 11.4148% (0.15   2.82  25.77) =   9.452%  kept
          QG1   VAL   43 - HN    LEU   98   5.53 +/- 1.11  12.329% *  1.1671% (0.28   0.16   0.02) =   0.493%  kept
          QD1   ILE   19 - HN    LEU   98  11.71 +/- 2.02   1.726% *  0.4850% (0.92   0.02   0.02) =   0.029%
          QG2   THR   46 - HN    LEU   98  13.66 +/- 1.16   0.792% *  0.3187% (0.61   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    LEU   98  13.18 +/- 2.31   0.839% *  0.2557% (0.49   0.02   0.02) =   0.007%
    Distance limit 4.17 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 = 0.239, support = 4.18, residual support = 41.2:
          QG2   VAL   41 - HN    LEU   98   4.84 +/- 1.58  25.766% * 45.8093% (0.28   4.61  25.77) =  44.019%  kept
          QD2   LEU   98 - HN    LEU   98   3.61 +/- 0.73  37.901% * 25.8128% (0.15   4.68  76.52) =  36.486%  kept
          QD1   LEU  104 - HN    LEU   98   4.91 +/- 1.16  20.078% * 25.6064% (0.31   2.32  10.15) =  19.174%  kept
          QD2   LEU   63 - HN    LEU   98   9.24 +/- 2.95   5.203% *  0.5973% (0.84   0.02   0.02) =   0.116%  kept
          QD1   LEU   63 - HN    LEU   98   9.34 +/- 2.95   3.988% *  0.6414% (0.90   0.02   0.02) =   0.095%
          QD1   LEU   73 - HN    LEU   98   9.97 +/- 2.28   2.486% *  0.6414% (0.90   0.02   0.02) =   0.059%
          QD2   LEU   80 - HN    LEU   98  15.08 +/- 4.54   1.904% *  0.3763% (0.53   0.02   0.02) =   0.027%
          QD2   LEU  115 - HN    LEU   98  12.16 +/- 1.65   1.150% *  0.4049% (0.57   0.02   0.02) =   0.017%
          QD1   LEU   80 - HN    LEU   98  16.02 +/- 4.95   1.524% *  0.1103% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.11 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   2.93 +/- 0.55  74.937% * 96.1165% (0.95  10.0   4.82  62.32) =  99.245%  kept
          QE    LYS+ 106 - HN    PHE   97   5.77 +/- 1.04  14.916% *  3.6367% (0.53   1.0   1.36  10.66) =   0.747%  kept
          HB3   TRP   27 - HN    PHE   97  14.43 +/- 2.94   2.285% *  0.0981% (0.97   1.0   0.02   0.02) =   0.003%
          QE    LYS+  99 - HN    PHE   97   9.59 +/- 0.96   2.610% *  0.0616% (0.61   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HN    PHE   97   9.66 +/- 1.44   3.230% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  13.60 +/- 2.34   1.399% *  0.0347% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  15.94 +/- 1.38   0.623% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 44.5:
          HG2   MET   96 - HN    PHE   97   3.37 +/- 0.73  92.870% * 99.4687% (0.73   5.59  44.53) =  99.988%  kept
          HB2   ASP-  62 - HN    PHE   97  15.20 +/- 3.38   6.308% *  0.1221% (0.25   0.02   0.02) =   0.008%
          HB2   PRO   52 - HN    PHE   97  19.37 +/- 2.86   0.822% *  0.4091% (0.84   0.02   0.02) =   0.004%
    Distance limit 4.84 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   2.78 +/- 0.55  86.661% * 93.7715% (0.34  10.0   5.17  62.32) =  99.330%  kept
          HB    VAL  107 - HN    PHE   97   6.37 +/- 0.68   9.992% *  5.4241% (0.28   1.0   1.42   5.46) =   0.662%  kept
          HB2   GLU- 100 - HN    PHE   97  12.75 +/- 0.90   1.267% *  0.1667% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    PHE   97  16.96 +/- 2.69   0.584% *  0.2743% (1.00   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    PHE   97  17.15 +/- 2.73   0.693% *  0.2296% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.20 +/- 1.83   0.803% *  0.1338% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 0.638, support = 4.78, residual support = 51.9:
          HB2   MET   96 - HN    PHE   97   4.05 +/- 0.31  59.427% * 35.2347% (0.31   6.07  44.53) =  50.958%  kept
          HB2   ASP- 105 - HN    PHE   97   5.28 +/- 0.84  31.796% * 63.3129% (0.98   3.44  59.55) =  48.993%  kept
          HG2   GLU- 100 - HN    PHE   97  12.61 +/- 1.00   2.234% *  0.2874% (0.76   0.02   0.02) =   0.016%
          HG12  ILE  119 - HN    PHE   97  12.95 +/- 3.26   3.162% *  0.1546% (0.41   0.02   0.91) =   0.012%
          HG3   MET   92 - HN    PHE   97  15.81 +/- 1.25   1.100% *  0.3372% (0.90   0.02   0.02) =   0.009%
          HB3   ASP-  76 - HN    PHE   97  17.12 +/- 1.69   0.850% *  0.3141% (0.84   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HN    PHE   97  19.44 +/- 2.49   0.658% *  0.3011% (0.80   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   97  17.73 +/- 1.90   0.773% *  0.0580% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.26 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 = 44.4:
          HB3   MET   96 - HN    PHE   97   4.24 +/- 0.35  88.353% * 91.3840% (0.15   6.07  44.53) =  99.814%  kept
          HB3   GLN   30 - HN    PHE   97  14.85 +/- 2.45   2.910% *  1.4166% (0.73   0.02   0.02) =   0.051%
          HB2   MET   92 - HN    PHE   97  14.92 +/- 0.63   2.139% *  1.6922% (0.87   0.02   0.02) =   0.045%
          HB3   PRO   58 - HN    PHE   97  18.20 +/- 2.32   1.553% *  1.9122% (0.98   0.02   0.02) =   0.037%
          HB3   LYS+  38 - HN    PHE   97  16.55 +/- 1.91   1.720% *  1.0264% (0.53   0.02   0.02) =   0.022%
          HB    ILE   56 - HN    PHE   97  15.85 +/- 2.19   2.240% *  0.7322% (0.38   0.02   0.02) =   0.020%
          HB3   GLU-  14 - HN    PHE   97  23.17 +/- 3.08   0.706% *  0.7322% (0.38   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    PHE   97  29.51 +/- 4.60   0.379% *  1.1044% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.624, support = 1.84, residual support = 2.2:
          QG2   ILE  103 - HN    PHE   97   3.53 +/- 0.53  71.548% * 57.7715% (0.61   1.95   2.32) =  88.294%  kept
          QD2   LEU   40 - HN    PHE   97   7.34 +/- 2.21  13.511% * 39.8726% (0.76   1.07   1.37) =  11.508%  kept
          QD1   LEU   67 - HN    PHE   97  10.43 +/- 3.04   7.085% *  0.7104% (0.73   0.02   0.02) =   0.108%  kept
          HB    VAL   75 - HN    PHE   97  11.42 +/- 1.58   3.089% *  0.9254% (0.95   0.02   0.02) =   0.061%
          QD1   ILE  119 - HN    PHE   97  12.02 +/- 2.27   3.675% *  0.2439% (0.25   0.02   0.91) =   0.019%
          HG3   LYS+  74 - HN    PHE   97  15.25 +/- 1.72   1.091% *  0.4762% (0.49   0.02   0.02) =   0.011%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.99, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.61 +/- 0.30  91.486% * 95.7115% (0.24   3.99  11.98) =  99.905%  kept
          HB3   TRP   87 - HN    MET   96  12.32 +/- 3.51   4.570% *  1.0883% (0.54   0.02   0.02) =   0.057%
          HG3   GLN  116 - HN    MET   96  14.77 +/- 1.34   1.540% *  0.9356% (0.46   0.02   0.02) =   0.016%
          HG2   GLU-  25 - HN    MET   96  19.99 +/- 2.34   0.660% *  1.8841% (0.93   0.02   0.02) =   0.014%
          HG2   GLN  116 - HN    MET   96  14.24 +/- 1.42   1.743% *  0.3804% (0.19   0.02   0.02) =   0.008%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.04, residual support = 115.4:
      O   HB2   MET   96 - HN    MET   96   2.70 +/- 0.27  91.542% * 99.6054% (0.94  10.0   4.04 115.45) =  99.995%  kept
          HB2   ASP- 105 - HN    MET   96   8.47 +/- 0.68   3.359% *  0.0448% (0.42   1.0   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    MET   96  10.88 +/- 1.86   1.918% *  0.0725% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    MET   96  13.25 +/- 1.38   0.865% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.29 +/- 0.67   0.548% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  16.19 +/- 2.52   0.515% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  19.51 +/- 2.12   0.295% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.87 +/- 1.18   0.958% *  0.0154% (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 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.74 +/- 0.32  94.877% * 99.5022% (0.57  10.0   3.97 115.45) =  99.995%  kept
          HB2   LEU   40 - HN    MET   96  11.74 +/- 1.16   1.529% *  0.1552% (0.89   1.0   0.02   0.02) =   0.003%
          HB    VAL   18 - HN    MET   96  14.70 +/- 4.47   1.069% *  0.0863% (0.50   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    MET   96  17.04 +/- 2.48   0.576% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  11.83 +/- 2.34   1.553% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  21.54 +/- 2.36   0.245% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  27.87 +/- 4.31   0.150% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.197, support = 1.46, residual support = 15.7:
          HB    VAL   43 - HN    MET   96   3.79 +/- 0.73  69.286% * 60.0957% (0.19   1.50  16.27) =  96.731%  kept
          HG2   PRO   93 - HN    MET   96  10.79 +/- 0.43   3.686% * 23.1875% (0.46   0.24   0.02) =   1.986%  kept
          HB2   LEU   71 - HN    MET   96  13.11 +/- 2.70   4.312% *  3.5122% (0.82   0.02   0.02) =   0.352%  kept
          QB    LYS+  65 - HN    MET   96  12.25 +/- 2.23   3.939% *  3.3819% (0.79   0.02   0.02) =   0.309%  kept
          QB    LYS+  66 - HN    MET   96  12.12 +/- 3.53  11.098% *  1.0096% (0.24   0.02   0.02) =   0.260%  kept
          QB    LYS+ 102 - HN    MET   96  12.17 +/- 0.53   2.610% *  2.9401% (0.69   0.02   0.02) =   0.178%  kept
          HB2   LYS+  99 - HN    MET   96  11.36 +/- 0.56   3.172% *  1.1258% (0.26   0.02   0.02) =   0.083%
          HB3   GLN   17 - HN    MET   96  18.02 +/- 2.33   0.891% *  3.7376% (0.87   0.02   0.02) =   0.077%
          QD    LYS+  81 - HN    MET   96  17.83 +/- 2.30   1.006% *  1.0096% (0.24   0.02   0.02) =   0.024%
    Distance limit 4.03 A violated in 0 structures by 0.13 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 1.67, residual support = 3.16:
          QG2   THR   94 - HN    MET   96   4.15 +/- 0.31  82.515% * 95.8039% (0.85   1.68   3.17) =  99.816%  kept
          HB3   LEU   71 - HN    MET   96  13.35 +/- 2.60   4.242% *  1.2049% (0.89   0.02   0.02) =   0.065%
          HD2   LYS+ 112 - HN    MET   96  13.99 +/- 3.41   3.625% *  1.2485% (0.93   0.02   0.02) =   0.057%
          HB3   LYS+ 112 - HN    MET   96  13.86 +/- 1.58   2.413% *  1.1049% (0.82   0.02   0.02) =   0.034%
          HG12  ILE   89 - HN    MET   96  13.02 +/- 2.92   4.389% *  0.2836% (0.21   0.02   0.02) =   0.016%
          HG3   LYS+ 111 - HN    MET   96  14.03 +/- 1.75   2.817% *  0.3542% (0.26   0.02   0.02) =   0.013%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.755, support = 2.95, residual support = 16.2:
          QG1   VAL   43 - HN    MET   96   3.77 +/- 0.68  70.946% * 96.6032% (0.76   2.96  16.27) =  99.726%  kept
          QG2   THR   46 - HN    MET   96   9.06 +/- 0.96   6.866% *  0.8141% (0.94   0.02   0.02) =   0.081%
          QG1   VAL   41 - HN    MET   96   8.45 +/- 0.92   9.821% *  0.4949% (0.57   0.02   0.02) =   0.071%
          QD2   LEU  104 - HN    MET   96   9.28 +/- 0.82   5.887% *  0.5925% (0.69   0.02   0.02) =   0.051%
          QG2   VAL   18 - HN    MET   96  12.28 +/- 3.00   3.793% *  0.7874% (0.91   0.02   0.02) =   0.043%
          QD1   ILE   19 - HN    MET   96  12.62 +/- 1.59   2.687% *  0.7078% (0.82   0.02   0.02) =   0.028%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.781, support = 0.671, residual support = 0.255:
          QD1   LEU   63 - HN    MET   96   7.01 +/- 2.73  19.986% * 34.0798% (0.85   0.76   0.34) =  46.783%  kept
          QD2   LEU   63 - HN    MET   96   7.75 +/- 2.58  14.524% * 21.0351% (0.79   0.50   0.34) =  20.985%  kept
          QD2   LEU  115 - HN    MET   96   8.97 +/- 1.58   8.389% * 28.1345% (0.54   0.99   0.14) =  16.211%  kept
          QD1   LEU   73 - HN    MET   96   8.84 +/- 2.62  14.534% * 15.3221% (0.85   0.34   0.02) =  15.296%  kept
          QG2   VAL   41 - HN    MET   96   7.33 +/- 0.63  10.952% *  0.2794% (0.26   0.02   0.02) =   0.210%  kept
          QD2   LEU   98 - HN    MET   96   6.96 +/- 1.50  16.532% *  0.1551% (0.15   0.02   0.20) =   0.176%  kept
          QD2   LEU   80 - HN    MET   96  12.76 +/- 3.83   4.715% *  0.5288% (0.50   0.02   0.02) =   0.171%  kept
          QD1   LEU  104 - HN    MET   96   9.34 +/- 1.08   5.350% *  0.3102% (0.29   0.02   0.02) =   0.114%  kept
          QD1   LEU   80 - HN    MET   96  13.51 +/- 4.21   5.019% *  0.1551% (0.15   0.02   0.02) =   0.053%
    Distance limit 4.63 A violated in 0 structures by 0.26 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.589, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96   9.35 +/- 2.71  37.901% * 55.1266% (0.72   0.02   0.02) =  61.414%  kept
          QG2   VAL   83 - HN    MET   96  10.66 +/- 3.23  27.871% * 35.1112% (0.46   0.02   0.02) =  28.764%  kept
          QD2   LEU   31 - HN    MET   96  10.13 +/- 2.49  34.228% *  9.7622% (0.13   0.02   0.02) =   9.822%  kept
    Distance limit 4.50 A violated in 16 structures by 3.21 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.66 +/- 0.22 100.000% *100.0000% (0.87  10.0   3.86  73.46) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.62 +/- 0.14  97.064% * 99.8580% (0.98  10.0   4.19  73.46) =  99.997%  kept
          HG2   GLN  116 - HN    PHE   95  12.71 +/- 1.22   2.495% *  0.0964% (0.95   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HN    PHE   95  22.92 +/- 2.58   0.441% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.983, support = 3.54, residual support = 43.0:
          HB    VAL  107 - HN    PHE   95   3.89 +/- 0.59  61.396% * 90.8008% (0.99   3.63  44.08) =  97.353%  kept
          HB3   PHE   45 - HN    PHE   95   6.39 +/- 1.46  24.509% *  3.8789% (0.69   0.22   1.89) =   1.660%  kept
          QE    LYS+ 112 - HN    PHE   95   9.68 +/- 2.92  11.970% *  4.6836% (0.69   0.27   3.48) =   0.979%  kept
          QG    GLU-  79 - HN    PHE   95  15.57 +/- 1.93   1.270% *  0.1896% (0.38   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    PHE   95  20.73 +/- 2.14   0.485% *  0.3470% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  23.01 +/- 2.41   0.369% *  0.1000% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 0.799, support = 4.35, residual support = 17.7:
          QG2   THR   94 - HN    PHE   95   2.35 +/- 0.37  65.250% * 80.0405% (0.87   4.33  14.71) =  89.764%  kept
          QG2   VAL  107 - HN    PHE   95   3.52 +/- 0.91  31.401% * 18.9368% (0.20   4.49  44.08) =  10.220%  kept
          HB3   LYS+ 112 - HN    PHE   95  11.01 +/- 1.47   0.933% *  0.3820% (0.90   0.02   3.48) =   0.006%
          HG13  ILE  103 - HN    PHE   95   9.88 +/- 0.89   1.132% *  0.2583% (0.61   0.02   0.02) =   0.005%
          HD2   LYS+ 112 - HN    PHE   95  11.12 +/- 3.14   1.044% *  0.2073% (0.49   0.02   3.48) =   0.004%
          HB3   LEU   71 - HN    PHE   95  16.73 +/- 2.55   0.239% *  0.1751% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.0:
      O   HB    THR   94 - HN    THR   94   2.66 +/- 0.21  91.424% * 98.9931% (0.65  10.0   3.08  24.96) =  99.992%  kept
          QB    SER   48 - HN    THR   94  11.00 +/- 0.91   1.506% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    THR   94  15.16 +/- 2.35   0.910% *  0.1413% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    THR   94  10.76 +/- 2.22   1.859% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    THR   94  14.41 +/- 1.03   0.629% *  0.1477% (0.97   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  13.16 +/- 1.34   0.868% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  18.07 +/- 1.08   0.322% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    THR   94  12.87 +/- 0.96   0.902% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.28 +/- 1.68   0.329% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  22.86 +/- 3.10   0.192% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  12.90 +/- 1.15   0.872% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.23 +/- 2.42   0.188% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.3:
          HB2   PHE   45 - HN    THR   94   2.83 +/- 0.62  93.818% * 98.8926% (0.95   2.96  27.35) =  99.956%  kept
          QE    LYS+ 111 - HN    THR   94  10.95 +/- 2.38   5.139% *  0.7071% (1.00   0.02   0.02) =   0.039%
          HB2   CYS   21 - HN    THR   94  15.26 +/- 3.44   1.043% *  0.4003% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.12 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 = 0.552, support = 1.43, residual support = 25.2:
          HB3   PHE   45 - HN    THR   94   3.13 +/- 1.19  67.338% * 59.2048% (0.57   1.50  27.35) =  91.903%  kept
          QE    LYS+ 112 - HN    THR   94   9.44 +/- 3.53  16.856% * 10.6536% (0.57   0.27   0.02) =   4.140%  kept
          HB    VAL  107 - HN    THR   94   7.78 +/- 0.59   7.853% * 15.5314% (0.20   1.13   0.02) =   2.812%  kept
          HG3   MET   96 - HN    THR   94   9.39 +/- 0.70   4.274% * 10.6998% (0.28   0.55   3.17) =   1.054%  kept
          HB3   ASP-  62 - HN    THR   94  13.20 +/- 2.11   2.013% *  0.9578% (0.69   0.02   0.02) =   0.044%
          HB3   ASP-  86 - HN    THR   94  14.52 +/- 1.80   1.058% *  1.3820% (0.99   0.02   0.02) =   0.034%
          HG2   GLU-  29 - HN    THR   94  22.98 +/- 2.45   0.391% *  1.3820% (0.99   0.02   0.02) =   0.012%
          HG2   GLU-  36 - HN    THR   94  26.65 +/- 2.08   0.218% *  0.1887% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.64 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 = 4.38, residual support = 15.7:
      O   HB2   PRO   93 - HN    THR   94   3.93 +/- 0.16  72.525% * 99.5171% (0.98  10.0   4.38  15.66) =  99.978%  kept
          HB    VAL  108 - HN    THR   94   8.28 +/- 1.62  12.480% *  0.0697% (0.69   1.0   0.02   0.02) =   0.012%
          HB2   ARG+  54 - HN    THR   94  12.73 +/- 2.04   3.220% *  0.0776% (0.76   1.0   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    THR   94  11.59 +/- 3.19   4.987% *  0.0417% (0.41   1.0   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    THR   94  13.36 +/- 2.13   2.419% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    THR   94  14.34 +/- 1.26   1.599% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.61 +/- 2.00   0.973% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    THR   94  18.54 +/- 2.27   0.857% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  23.95 +/- 1.89   0.335% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.20 +/- 0.86   0.413% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  30.27 +/- 3.92   0.192% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.891, support = 2.83, residual support = 15.4:
      O   HB3   PRO   93 - HN    THR   94   3.62 +/- 0.25  56.797% * 94.9070% (0.90  10.0   2.85  15.66) =  98.605%  kept
          HB3   ASP-  44 - HN    THR   94   5.93 +/- 0.95  17.496% *  4.2605% (0.49   1.0   1.65   0.02) =   1.364%  kept
          HB3   LEU   73 - HN    THR   94  11.73 +/- 3.08   4.674% *  0.0685% (0.65   1.0   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    THR   94   9.87 +/- 1.07   3.390% *  0.0918% (0.87   1.0   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    THR   94  10.89 +/- 1.48   2.623% *  0.0918% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    THR   94  11.18 +/- 2.04   2.754% *  0.0809% (0.76   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    THR   94  10.87 +/- 1.18   2.823% *  0.0599% (0.57   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    THR   94  10.66 +/- 2.86   3.972% *  0.0397% (0.38   1.0   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    THR   94  14.21 +/- 1.75   1.096% *  0.0809% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    THR   94  15.29 +/- 2.34   0.966% *  0.0599% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    THR   94  13.53 +/- 2.78   1.605% *  0.0294% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  19.92 +/- 1.35   0.371% *  0.0727% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.80 +/- 0.96   0.308% *  0.0685% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.64 +/- 1.76   0.301% *  0.0515% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.77 +/- 2.74   0.541% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  23.38 +/- 3.12   0.283% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.357, support = 3.4, residual support = 24.2:
          QG2   THR   94 - HN    THR   94   3.78 +/- 0.15  74.213% * 65.5372% (0.34   3.51  24.96) =  96.107%  kept
          HG12  ILE   89 - HN    THR   94   9.69 +/- 1.52   5.826% * 31.3704% (0.76   0.75   5.26) =   3.612%  kept
          HD2   LYS+ 112 - HN    THR   94  11.19 +/- 3.74   7.510% *  0.7949% (0.73   0.02   0.02) =   0.118%  kept
          HG3   LYS+ 111 - HN    THR   94  11.65 +/- 2.58   6.429% *  0.9143% (0.84   0.02   0.02) =   0.116%  kept
          HB3   LYS+ 112 - HN    THR   94  11.12 +/- 2.01   4.227% *  0.3379% (0.31   0.02   0.02) =   0.028%
          HB3   LEU   71 - HN    THR   94  17.29 +/- 2.16   0.940% *  0.8765% (0.80   0.02   0.02) =   0.016%
          HG    LEU   71 - HN    THR   94  17.97 +/- 2.29   0.855% *  0.1689% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.43 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 = 0.895, support = 0.748, residual support = 5.24:
          QG2   ILE   89 - HN    THR   94   6.54 +/- 2.25  76.318% * 99.1801% (0.90   0.75   5.26) =  99.744%  kept
          QG1   VAL   83 - HN    THR   94  10.93 +/- 1.71  23.682% *  0.8199% (0.28   0.02   0.02) =   0.256%  kept
    Distance limit 4.59 A violated in 8 structures by 1.80 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.299, support = 3.32, residual support = 49.0:
          HG3   MET   92 - HN    MET   92   3.79 +/- 0.72  73.167% * 40.3586% (0.14   4.04  63.14) =  77.584%  kept
          QG    GLN   90 - HN    MET   92   7.10 +/- 0.80  16.198% * 51.7955% (0.87   0.81   0.17) =  22.044%  kept
          HB2   ASP-  44 - HN    MET   92  11.67 +/- 1.90   7.411% *  1.4460% (0.98   0.02   0.02) =   0.282%  kept
          HB3   PHE   72 - HN    MET   92  18.60 +/- 2.34   0.954% *  1.3618% (0.92   0.02   0.02) =   0.034%
          HG12  ILE  119 - HN    MET   92  17.33 +/- 1.47   0.976% *  0.7761% (0.53   0.02   0.02) =   0.020%
          QG    GLU-  15 - HN    MET   92  25.86 +/- 3.77   0.400% *  1.4752% (1.00   0.02   0.02) =   0.016%
          QG    GLU-  14 - HN    MET   92  25.23 +/- 3.02   0.355% *  1.4237% (0.97   0.02   0.02) =   0.013%
          QB    MET   11 - HN    MET   92  30.95 +/- 4.22   0.213% *  1.0712% (0.73   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HN    MET   92  26.09 +/- 3.29   0.327% *  0.2919% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.996, support = 3.93, residual support = 63.0:
      O   HB2   MET   92 - HN    MET   92   2.50 +/- 0.45  86.904% * 97.6093% (1.00  10.0   3.94  63.14) =  99.827%  kept
          HB3   GLN   90 - HN    MET   92   6.65 +/- 0.91   7.403% *  1.9554% (0.18   1.0   2.28   0.17) =   0.170%  kept
          HB    ILE   56 - HN    MET   92  14.03 +/- 3.45   1.132% *  0.0633% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  18.09 +/- 3.51   0.653% *  0.0944% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    MET   92  12.99 +/- 2.66   2.373% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    MET   92  11.93 +/- 0.93   0.994% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.93 +/- 2.84   0.206% *  0.0925% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  28.45 +/- 1.75   0.079% *  0.0783% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.71 +/- 2.46   0.127% *  0.0132% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  28.80 +/- 2.99   0.084% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  34.77 +/- 4.91   0.046% *  0.0302% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.563, support = 4.29, residual support = 62.7:
      O   HB3   MET   92 - HN    MET   92   3.44 +/- 0.29  70.230% * 94.2164% (0.57  10.0   4.30  63.14) =  99.248%  kept
          HG3   PRO   93 - HN    MET   92   6.74 +/- 0.27   9.783% *  4.9719% (0.20   1.0   3.02   1.94) =   0.730%  kept
          HB    ILE   89 - HN    MET   92   7.48 +/- 1.28  11.120% *  0.0415% (0.25   1.0   0.02   0.02) =   0.007%
          QD    LYS+ 106 - HN    MET   92  12.39 +/- 1.62   2.058% *  0.1492% (0.90   1.0   0.02   0.02) =   0.005%
          QG1   ILE   56 - HN    MET   92  12.20 +/- 2.77   2.306% *  0.1272% (0.76   1.0   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    MET   92  13.44 +/- 3.46   2.696% *  0.0746% (0.45   1.0   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    MET   92  16.78 +/- 2.98   1.062% *  0.1208% (0.73   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  22.13 +/- 0.96   0.286% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.11 +/- 1.06   0.256% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.88 +/- 1.72   0.203% *  0.0370% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 3.66, residual support = 14.6:
          QB    ALA   91 - HN    MET   92   2.86 +/- 0.64  90.299% * 96.7967% (1.00   3.66  14.64) =  99.962%  kept
          QG2   ILE   56 - HN    MET   92  10.96 +/- 3.42   4.776% *  0.3640% (0.69   0.02   0.02) =   0.020%
          HG2   LYS+  74 - HN    MET   92  14.27 +/- 2.59   2.522% *  0.3428% (0.65   0.02   0.02) =   0.010%
          QG2   THR   39 - HN    MET   92  21.01 +/- 1.27   0.353% *  0.5288% (1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    MET   92  23.30 +/- 3.20   0.333% *  0.4597% (0.87   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    MET   92  19.82 +/- 1.95   0.468% *  0.2580% (0.49   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    MET   92  23.42 +/- 2.63   0.308% *  0.3214% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  24.95 +/- 0.99   0.193% *  0.3640% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  18.90 +/- 2.67   0.614% *  0.1049% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  29.47 +/- 1.96   0.132% *  0.4597% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 2.48, residual support = 7.73:
          HA    ILE   89 - HN    ALA   91   3.82 +/- 0.64  77.960% * 96.1932% (0.61   2.48   7.73) =  99.958%  kept
          HB    THR  118 - HN    ALA   91  18.81 +/- 1.57   0.782% *  1.2077% (0.95   0.02   0.02) =   0.013%
          HB    THR  118 - HN    TRP   27  20.72 +/- 4.59   2.864% *  0.1492% (0.12   0.02   0.02) =   0.006%
          HB3   SER   82 - HN    ALA   91  14.25 +/- 1.10   1.901% *  0.2236% (0.18   0.02   0.02) =   0.006%
          QB    SER   13 - HN    TRP   27  14.82 +/- 4.18   4.764% *  0.0649% (0.05   0.02   0.02) =   0.004%
          HB    THR   39 - HN    ALA   91  26.44 +/- 2.48   0.309% *  0.5724% (0.45   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    TRP   27  18.22 +/- 8.64   6.233% *  0.0276% (0.02   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    TRP   27  14.66 +/- 1.52   1.716% *  0.0957% (0.07   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    ALA   91  29.21 +/- 2.64   0.209% *  0.7744% (0.61   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  14.47 +/- 2.53   2.162% *  0.0707% (0.06   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  28.64 +/- 4.37   0.286% *  0.5249% (0.41   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    TRP   27  21.04 +/- 5.40   0.813% *  0.0957% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.18 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.705, support = 4.88, residual support = 30.9:
          HB2   GLN   90 - HN    ALA   91   4.00 +/- 0.81  41.089% * 91.7366% (0.73   4.96  31.91) =  96.874%  kept
          HB2   GLU-  25 - HN    TRP   27   4.99 +/- 0.25  23.206% *  2.5249% (0.02   4.05   0.53) =   1.506%  kept
          HG3   GLU-  29 - HN    TRP   27   5.96 +/- 0.78  16.434% *  3.1686% (0.11   1.12   0.02) =   1.338%  kept
          HB3   GLU-  29 - HN    TRP   27   6.65 +/- 0.64  11.667% *  0.9004% (0.07   0.54   0.02) =   0.270%  kept
          HB3   GLU-  79 - HN    ALA   91  13.62 +/- 1.60   1.337% *  0.1009% (0.20   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ALA   91  26.75 +/- 4.30   0.190% *  0.4570% (0.90   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ALA   91  30.56 +/- 2.65   0.112% *  0.4821% (0.95   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   91  27.12 +/- 3.81   0.174% *  0.2681% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  13.97 +/- 5.79   3.281% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  18.01 +/- 1.23   0.527% *  0.0596% (0.12   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  24.29 +/- 4.01   0.260% *  0.1009% (0.20   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    TRP   27  13.22 +/- 0.84   1.285% *  0.0157% (0.03   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    ALA   91  28.01 +/- 2.93   0.149% *  0.1271% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  23.27 +/- 4.44   0.290% *  0.0457% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.975, support = 4.91, residual support = 31.6:
          HB3   GLN   90 - HN    ALA   91   3.49 +/- 0.88  45.476% * 89.4175% (0.99   4.96  31.91) =  98.069%  kept
          HB2   MET   92 - HN    ALA   91   5.70 +/- 1.09  10.891% *  7.0753% (0.15   2.52  14.64) =   1.858%  kept
          QB    LYS+  81 - HN    ALA   91  10.85 +/- 1.61   1.910% *  0.3512% (0.97   0.02   0.02) =   0.016%
          QB    LYS+ 106 - HN    ALA   91  13.79 +/- 1.25   1.055% *  0.3443% (0.95   0.02   0.02) =   0.009%
          HB3   PRO   52 - HN    ALA   91  12.43 +/- 4.48   3.694% *  0.0908% (0.25   0.02   0.02) =   0.008%
          HG2   ARG+  54 - HN    ALA   91  15.58 +/- 3.09   0.894% *  0.3512% (0.97   0.02   0.02) =   0.008%
          HB3   GLN   30 - HN    TRP   27   5.02 +/- 0.68  21.032% *  0.0112% (0.03   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    ALA   91  16.30 +/- 3.30   0.866% *  0.2061% (0.57   0.02   0.02) =   0.004%
          QB    LYS+  33 - HN    TRP   27   8.95 +/- 0.88   3.711% *  0.0450% (0.12   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    ALA   91  19.87 +/- 2.41   0.382% *  0.3443% (0.95   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ALA   91  20.43 +/- 1.42   0.313% *  0.3568% (0.98   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    TRP   27  20.32 +/- 4.34   2.002% *  0.0441% (0.12   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA   91  25.26 +/- 4.20   0.232% *  0.3360% (0.92   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ALA   91  25.24 +/- 3.23   0.180% *  0.3640% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  16.84 +/- 5.76   1.120% *  0.0434% (0.12   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  18.71 +/- 3.51   0.662% *  0.0425% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  22.41 +/- 3.74   0.281% *  0.0908% (0.25   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    TRP   27  18.34 +/- 2.56   0.596% *  0.0425% (0.12   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    TRP   27  23.45 +/- 4.76   0.547% *  0.0434% (0.12   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    TRP   27  25.00 +/- 5.86   1.867% *  0.0112% (0.03   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    TRP   27  20.22 +/- 3.07   0.466% *  0.0415% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.61 +/- 2.61   0.104% *  0.1496% (0.41   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  26.91 +/- 2.15   0.139% *  0.0908% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  22.69 +/- 4.38   0.262% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.25 +/- 4.47   0.443% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.17 +/- 1.33   0.416% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  25.35 +/- 4.01   0.229% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.13 +/- 2.71   0.231% *  0.0069% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.61, residual support = 14.5:
      O   QB    ALA   91 - HN    ALA   91   2.39 +/- 0.19  77.550% * 99.2924% (0.92  10.0   3.61  14.47) =  99.996%  kept
          QG2   ILE   56 - HN    ALA   91  12.81 +/- 3.38   1.091% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    TRP   27   4.85 +/- 0.89  13.846% *  0.0055% (0.05   1.0   0.02   1.16) =   0.001%
          HG2   LYS+  74 - HN    ALA   91  14.94 +/- 2.11   0.483% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   8.95 +/- 0.93   1.745% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  20.58 +/- 2.78   0.158% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27   9.61 +/- 1.70   1.602% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.99 +/- 1.87   0.113% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  18.66 +/- 3.27   0.233% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.45 +/- 1.98   0.689% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  24.17 +/- 3.86   0.097% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  30.62 +/- 2.51   0.042% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  12.73 +/- 2.07   0.681% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  24.69 +/- 2.99   0.090% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.36 +/- 3.32   0.264% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.85 +/- 2.61   0.251% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  26.41 +/- 2.37   0.067% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.75 +/- 1.07   0.173% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.46 +/- 4.05   0.406% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.53 +/- 2.15   0.418% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.385, support = 0.02, residual support = 0.02:
          HB3   TRP   87 - HE22  GLN   90  10.96 +/- 1.48  35.534% * 18.6359% (0.49   0.02   0.02) =  54.676%  kept
          HG2   GLU-  36 - HE22  GLN   32  10.38 +/- 2.18  40.145% *  7.7282% (0.20   0.02   0.02) =  25.616%  kept
          HG3   MET   96 - HE22  GLN   90  20.53 +/- 3.04   6.046% * 11.8170% (0.31   0.02   0.02) =   5.899%  kept
          HG3   GLN  116 - HE22  GLN   90  26.84 +/- 2.57   2.756% * 21.6759% (0.57   0.02   0.02) =   4.932%  kept
          HG3   MET   96 - HE22  GLN   32  21.52 +/- 4.15   7.998% *  4.5337% (0.12   0.02   0.02) =   2.994%  kept
          HB3   TRP   87 - HE22  GLN   32  26.92 +/- 6.96   3.854% *  7.1499% (0.19   0.02   0.02) =   2.275%  kept
          HG2   GLU-  36 - HE22  GLN   90  37.01 +/- 5.05   1.116% * 20.1433% (0.53   0.02   0.02) =   1.856%  kept
          HG3   GLN  116 - HE22  GLN   32  30.95 +/- 5.15   2.551% *  8.3162% (0.22   0.02   0.02) =   1.752%  kept
    Distance limit 5.50 A violated in 18 structures by 3.40 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.34, residual support = 160.8:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  98.738% * 99.2019% (0.18  10.0   5.34 160.78) =  99.995%  kept
          HA    ALA   20 - HN    LYS+ 102  20.77 +/- 3.08   0.457% *  0.5652% (1.00   1.0   0.02   0.02) =   0.003%
          HA    LEU   71 - HN    LYS+ 102  16.54 +/- 3.95   0.805% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 4.05 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 = 3.14, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.42 +/- 0.15  91.705% * 99.3899% (0.61  10.0   3.14  12.53) =  99.994%  kept
          HA    ALA   34 - HN    LYS+ 102  13.17 +/- 4.00   2.783% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    LYS+ 102  20.05 +/- 4.21   0.981% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LYS+ 102  16.14 +/- 4.49   1.481% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  21.01 +/- 2.60   0.439% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  20.08 +/- 2.97   0.609% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.54 +/- 5.08   1.177% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.11 +/- 2.50   0.600% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  25.94 +/- 2.09   0.224% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 3.14, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   2.67 +/- 0.53  99.059% * 99.6785% (0.28  10.0   3.14  12.53) =  99.998%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.85 +/- 3.96   0.737% *  0.1607% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    LYS+ 102  23.67 +/- 0.94   0.203% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.805, support = 0.02, residual support = 0.02:
          HB3   GLU-  25 - HN    LYS+ 102  22.37 +/- 5.26  10.381% * 14.4279% (1.00   0.02   0.02) =  14.363%  kept
          QB    GLU- 114 - HN    LYS+ 102  18.23 +/- 2.26  12.349% * 12.0512% (0.84   0.02   0.02) =  14.271%  kept
          QB    GLU-  15 - HN    LYS+ 102  19.98 +/- 3.62  10.832% * 13.6482% (0.95   0.02   0.02) =  14.177%  kept
          HB    ILE   19 - HN    LYS+ 102  18.06 +/- 3.02  11.901% * 11.0262% (0.76   0.02   0.02) =  12.583%  kept
          HG2   PRO   68 - HN    LYS+ 102  19.31 +/- 5.55  13.191% *  9.9106% (0.69   0.02   0.02) =  12.536%  kept
          HB3   PRO   68 - HN    LYS+ 102  20.12 +/- 5.67  12.106% *  8.7509% (0.61   0.02   0.02) =  10.159%  kept
          HB2   GLN   17 - HN    LYS+ 102  23.02 +/- 3.59   6.582% * 13.6482% (0.95   0.02   0.02) =   8.615%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.40 +/- 2.57   6.117% * 12.9393% (0.90   0.02   0.02) =   7.590%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.02 +/- 3.78  16.541% *  3.5976% (0.25   0.02   0.02) =   5.707%  kept
    Distance limit 4.51 A violated in 20 structures by 7.68 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.978, support = 4.82, residual support = 160.1:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.62 +/- 0.20  88.964% * 92.2942% (0.98  10.0   4.83 160.78) =  99.503%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.87 +/- 0.64   5.619% *  7.2324% (0.45   1.0   3.43  23.47) =   0.492%  kept
          HB    VAL   41 - HN    LYS+ 102  10.01 +/- 3.20   3.258% *  0.0571% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+ 102  16.02 +/- 4.73   0.715% *  0.0844% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    LYS+ 102  19.54 +/- 3.96   0.474% *  0.0869% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  18.86 +/- 4.47   0.375% *  0.0754% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.34 +/- 0.91   0.132% *  0.0923% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.74 +/- 3.38   0.183% *  0.0353% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  22.99 +/- 5.58   0.210% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  29.16 +/- 2.11   0.069% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.14, residual support = 127.7:
          HG2   LYS+ 102 - HN    LYS+ 102   3.49 +/- 0.50  62.481% * 60.6529% (0.28   4.59 160.78) =  79.248%  kept
          QB    LEU   98 - HN    LYS+ 102   5.12 +/- 1.02  30.571% * 32.3059% (0.28   2.44   1.60) =  20.653%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  18.51 +/- 7.23   1.251% *  0.5381% (0.57   0.02   0.02) =   0.014%
          HG    LEU   80 - HN    LYS+ 102  22.29 +/- 6.69   0.693% *  0.9421% (0.99   0.02   0.02) =   0.014%
          HB3   LEU   67 - HN    LYS+ 102  17.64 +/- 4.24   0.884% *  0.7264% (0.76   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    LYS+ 102  18.27 +/- 3.39   0.547% *  0.9484% (1.00   0.02   0.02) =   0.011%
          QG    LYS+  66 - HN    LYS+ 102  19.60 +/- 4.56   0.872% *  0.5381% (0.57   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    LYS+ 102  19.22 +/- 1.70   0.468% *  0.9484% (1.00   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+ 102  22.09 +/- 5.77   0.583% *  0.6902% (0.73   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    LYS+ 102  19.18 +/- 2.00   0.458% *  0.8525% (0.90   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LYS+ 102  20.25 +/- 2.53   0.559% *  0.5001% (0.53   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    LYS+ 102  17.35 +/- 2.71   0.634% *  0.3567% (0.38   0.02   0.02) =   0.005%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.604, support = 1.38, residual support = 0.824:
          QD2   LEU  104 - HN    LYS+ 102   4.25 +/- 0.98  47.492% * 43.8213% (0.95   0.43   0.22) =  55.619%  kept
          QD1   LEU   98 - HN    LYS+ 102   4.94 +/- 1.43  33.741% * 48.6851% (0.18   2.59   1.60) =  43.901%  kept
          QG1   VAL   41 - HN    LYS+ 102   8.06 +/- 3.08  12.871% *  0.7310% (0.34   0.02   0.02) =   0.251%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.34 +/- 1.64   3.545% *  1.1275% (0.53   0.02   0.02) =   0.107%  kept
          QD1   ILE   19 - HN    LYS+ 102  15.37 +/- 2.97   1.218% *  2.1383% (1.00   0.02   0.02) =   0.070%
          QG2   VAL   18 - HN    LYS+ 102  17.82 +/- 2.40   0.686% *  1.6378% (0.76   0.02   0.02) =   0.030%
          QG2   THR   46 - HN    LYS+ 102  19.06 +/- 1.39   0.448% *  1.8589% (0.87   0.02   0.02) =   0.022%
    Distance limit 4.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.46, residual support = 41.3:
      O   HA    ILE   89 - HN    GLN   90   2.87 +/- 0.56  96.816% * 99.5753% (0.61  10.0   6.46  41.25) =  99.998%  kept
          HB    THR  118 - HN    GLN   90  20.19 +/- 1.89   0.410% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   90  12.57 +/- 1.66   2.061% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          QB    SER   13 - HN    GLN   90  29.01 +/- 5.04   0.406% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  29.56 +/- 3.66   0.133% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  26.86 +/- 3.29   0.174% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.19 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.99, residual support = 94.3:
          QG    GLN   90 - HN    GLN   90   2.90 +/- 0.63  86.697% * 92.1552% (0.90   6.03  95.06) =  99.222%  kept
          HG3   MET   92 - HN    GLN   90   8.13 +/- 1.63  10.134% *  6.1072% (0.61   0.59   0.17) =   0.769%  kept
          HB2   ASP-  44 - HN    GLN   90  14.32 +/- 2.61   1.288% *  0.2476% (0.73   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    GLN   90  21.25 +/- 2.02   0.404% *  0.3379% (0.99   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    GLN   90  20.61 +/- 2.90   0.366% *  0.2848% (0.84   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  26.28 +/- 5.56   0.232% *  0.2476% (0.73   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLN   90  26.17 +/- 3.59   0.177% *  0.2605% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  27.17 +/- 4.49   0.194% *  0.2068% (0.61   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  20.59 +/- 1.98   0.396% *  0.0850% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  31.68 +/- 4.68   0.112% *  0.0675% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.922, support = 5.58, residual support = 94.8:
      O   HB3   GLN   90 - HN    GLN   90   3.29 +/- 0.43  76.587% * 97.9766% (0.92  10.0   5.59  95.06) =  99.777%  kept
          HB2   MET   92 - HN    GLN   90   7.41 +/- 1.95  13.486% *  1.1765% (0.38   1.0   0.59   0.17) =   0.211%  kept
          QB    LYS+  81 - HN    GLN   90   9.70 +/- 2.13   4.988% *  0.1024% (0.97   1.0   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HN    GLN   90  14.54 +/- 1.87   1.072% *  0.1040% (0.98   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   90  17.88 +/- 2.75   0.702% *  0.0921% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  17.29 +/- 2.95   0.813% *  0.0771% (0.73   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  20.17 +/- 3.29   0.460% *  0.0729% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.33 +/- 1.90   0.343% *  0.0811% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  26.24 +/- 4.33   0.370% *  0.0687% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  25.43 +/- 4.39   0.255% *  0.0921% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  22.63 +/- 4.94   0.403% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  29.98 +/- 3.41   0.128% *  0.0771% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  21.40 +/- 3.25   0.393% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.32, residual support = 41.3:
          QG2   ILE   89 - HN    GLN   90   2.92 +/- 0.81 100.000% *100.0000% (0.65   7.32  41.25) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 5.9, residual support = 41.2:
          QD1   ILE   89 - HN    GLN   90   4.36 +/- 0.40  71.375% * 99.5479% (0.49   5.91  41.25) =  99.932%  kept
          QG2   VAL   83 - HN    GLN   90   7.54 +/- 1.33  17.915% *  0.1726% (0.25   0.02   0.02) =   0.043%
          QG2   VAL   75 - HN    GLN   90  11.11 +/- 2.86   8.757% *  0.1726% (0.25   0.02   0.02) =   0.021%
          QG2   VAL   42 - HN    GLN   90  15.90 +/- 2.51   1.954% *  0.1068% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.13 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 9.39:
      O   HA    ALA   88 - HN    ILE   89   3.12 +/- 0.31  80.668% * 99.4024% (0.99  10.0   4.11   9.39) =  99.989%  kept
          HA    SER   48 - HN    ILE   89  12.24 +/- 2.62   2.617% *  0.0968% (0.97   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    ILE   89   6.10 +/- 0.54  11.082% *  0.0223% (0.22   1.0   0.02   0.02) =   0.003%
          HB2   SER   82 - HN    ILE   89  10.58 +/- 0.84   2.193% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  14.92 +/- 2.97   1.529% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    ILE   89  25.50 +/- 6.31   0.264% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  23.80 +/- 5.93   0.297% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  25.02 +/- 6.14   0.274% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  22.10 +/- 2.91   0.296% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  28.02 +/- 5.61   0.168% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  22.36 +/- 2.17   0.254% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  23.34 +/- 2.68   0.236% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  29.67 +/- 4.49   0.121% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.99, residual support = 217.3:
      O   HA    ILE   89 - HN    ILE   89   2.66 +/- 0.21  98.891% * 99.5011% (0.34  10.0   5.99 217.29) =  99.999%  kept
          HB    THR  118 - HN    ILE   89  20.59 +/- 2.47   0.273% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  18.17 +/- 2.74   0.395% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  28.59 +/- 4.66   0.203% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  28.27 +/- 4.14   0.105% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  25.62 +/- 3.54   0.133% *  0.0649% (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 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 217.3:
      O   HB    ILE   89 - HN    ILE   89   2.92 +/- 0.56  94.465% * 99.6919% (0.45  10.0   5.57 217.29) =  99.994%  kept
          QD    LYS+  81 - HN    ILE   89   9.78 +/- 1.38   3.380% *  0.0997% (0.45   1.0   0.02   0.02) =   0.004%
          HB    VAL   43 - HN    ILE   89  12.85 +/- 3.24   1.901% *  0.1170% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    ILE   89  23.16 +/- 3.99   0.254% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.76, residual support = 216.7:
          HG12  ILE   89 - HN    ILE   89   2.58 +/- 0.70  80.673% * 96.8601% (0.76   5.78 217.29) =  99.720%  kept
          QB    ALA   91 - HN    ILE   89   6.12 +/- 1.40  17.532% *  1.2191% (0.31   0.18   7.73) =   0.273%  kept
          HG2   LYS+  74 - HN    ILE   89  15.92 +/- 2.10   0.533% *  0.3806% (0.87   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    ILE   89  19.04 +/- 3.14   0.497% *  0.3014% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  25.10 +/- 4.29   0.164% *  0.3665% (0.84   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    ILE   89  24.61 +/- 3.14   0.131% *  0.3935% (0.90   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  24.31 +/- 5.19   0.167% *  0.2839% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  21.42 +/- 2.60   0.207% *  0.1354% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  29.40 +/- 4.19   0.095% *  0.0594% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.56, residual support = 216.9:
          QG2   ILE   89 - HN    ILE   89   3.28 +/- 0.65  84.110% * 98.8758% (1.00   6.57 217.29) =  99.803%  kept
          QG1   VAL   83 - HN    ILE   89   6.78 +/- 0.86  15.221% *  1.0778% (0.53   0.14   0.02) =   0.197%  kept
          QD1   LEU  104 - HN    ILE   89  19.43 +/- 3.02   0.669% *  0.0464% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 5.52, residual support = 217.3:
          HG13  ILE   89 - HN    ILE   89   3.49 +/- 0.70 100.000% *100.0000% (0.90   5.52 217.29) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.0:
      O   HA    ALA   88 - HN    ALA   88   2.29 +/- 0.18  95.880% * 99.0917% (0.84  10.0   1.63  12.04) =  99.995%  kept
          HB2   SER   82 - HN    ALA   88   9.27 +/- 0.53   1.487% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ALA   88  13.80 +/- 3.20   1.064% *  0.1425% (0.98   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ALA   88  16.85 +/- 3.60   1.004% *  0.0882% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    ALA   88  25.91 +/- 6.85   0.114% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  25.44 +/- 6.68   0.111% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  25.22 +/- 6.07   0.096% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  28.60 +/- 6.13   0.069% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  24.39 +/- 2.43   0.091% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  24.61 +/- 2.67   0.084% *  0.0496% (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 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.725, support = 2.07, residual support = 12.0:
      O   QB    ALA   88 - HN    ALA   88   2.75 +/- 0.25  76.046% * 98.3979% (0.73  10.0   2.08  12.04) =  99.835%  kept
          QB    ALA   84 - HN    ALA   88   4.77 +/- 0.19  15.712% *  0.7503% (0.15   1.0   0.72   0.02) =   0.157%  kept
          HB3   LEU   80 - HN    ALA   88   9.51 +/- 0.85   2.118% *  0.0931% (0.69   1.0   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    ALA   88   7.99 +/- 1.21   4.199% *  0.0462% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ALA   88  22.33 +/- 6.90   0.340% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   88  16.22 +/- 1.74   0.433% *  0.0608% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  21.57 +/- 2.92   0.206% *  0.1215% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  25.67 +/- 4.89   0.137% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  21.15 +/- 3.35   0.242% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  19.41 +/- 5.35   0.416% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  29.86 +/- 4.65   0.081% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  29.30 +/- 2.59   0.071% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 74.4:
      O   HB2   TRP   87 - HN    TRP   87   3.70 +/- 0.06  95.265% * 99.8429% (0.73  10.0   4.14  74.44) =  99.997%  kept
          HB    THR   46 - HN    TRP   87  13.59 +/- 2.22   3.522% *  0.0469% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   PHE   60 - HN    TRP   87  18.48 +/- 2.89   0.903% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  26.73 +/- 3.51   0.310% *  0.0212% (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 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 3.97, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.83 +/- 0.40  90.214% * 97.4988% (0.80   3.97  22.71) =  99.965%  kept
          HB2   ASP-  78 - HN    TRP   87  12.13 +/- 2.42   6.979% *  0.3230% (0.53   0.02   0.02) =   0.026%
          HB2   ASN   28 - HN    TRP   87  21.23 +/- 7.02   0.435% *  0.6139% (1.00   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    TRP   87  21.16 +/- 3.18   0.338% *  0.5925% (0.97   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  12.41 +/- 1.91   1.621% *  0.0947% (0.15   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    TRP   87  24.08 +/- 5.76   0.214% *  0.6018% (0.98   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    TRP   87  26.89 +/- 6.90   0.199% *  0.2752% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 74.4:
      O   HB3   TRP   87 - HN    TRP   87   2.88 +/- 0.25  99.364% * 99.8532% (1.00  10.0   4.01  74.44) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  22.58 +/- 6.47   0.462% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  25.16 +/- 2.63   0.174% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.07:
          QB    ALA   88 - HN    TRP   87   4.33 +/- 0.21  74.831% * 96.6583% (0.53   2.22   5.09) =  99.559%  kept
          QG2   THR   77 - HN    TRP   87   7.44 +/- 1.21  18.868% *  1.4818% (0.90   0.02   0.02) =   0.385%  kept
          QG2   THR   23 - HN    TRP   87  17.85 +/- 5.68   3.655% *  0.8693% (0.53   0.02   0.02) =   0.044%
          QB    ALA   34 - HN    TRP   87  19.12 +/- 4.91   1.593% *  0.3678% (0.22   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HN    TRP   87  24.23 +/- 5.33   0.668% *  0.2549% (0.15   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    TRP   87  28.31 +/- 4.98   0.385% *  0.3678% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.825, support = 1.95, residual support = 18.1:
          QD1   ILE   89 - HN    TRP   87   3.93 +/- 1.04  49.793% * 68.8917% (0.76   2.43  18.86) =  69.866%  kept
          QG2   VAL   83 - HN    TRP   87   3.97 +/- 0.30  48.531% * 30.4639% (0.97   0.85  16.45) =  30.112%  kept
          QD2   LEU   31 - HN    TRP   87  15.94 +/- 5.51   1.676% *  0.6445% (0.87   0.02   1.61) =   0.022%
    Distance limit 4.29 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 = 0.514, support = 1.13, residual support = 17.0:
          QG2   VAL   83 - HE1   TRP   87   2.13 +/- 0.55  89.244% * 28.1093% (0.45   0.99  16.45) =  76.439%  kept
          QD1   ILE   89 - HE1   TRP   87   4.92 +/- 1.16  10.756% * 71.8907% (0.73   1.57  18.86) =  23.561%  kept
    Distance limit 4.67 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 = 3.23, residual support = 13.0:
          QB    SER   85 - HN    ASP-  86   2.96 +/- 0.19  70.105% * 82.6668% (0.76   3.33  13.44) =  96.582%  kept
          HA    ALA   88 - HN    ASP-  86   5.13 +/- 0.43  14.716% * 12.7525% (0.69   0.57   0.02) =   3.128%  kept
          HB2   SER   82 - HN    ASP-  86   5.98 +/- 0.63   9.598% *  1.6820% (0.15   0.34   0.02) =   0.269%  kept
          QB    SER   48 - HN    ASP-  86  12.16 +/- 3.33   2.479% *  0.1447% (0.22   0.02   0.02) =   0.006%
          HA    SER   48 - HN    ASP-  86  14.36 +/- 3.19   0.990% *  0.2915% (0.45   0.02   0.02) =   0.005%
          HD2   PRO   52 - HN    ASP-  86  18.29 +/- 3.45   0.411% *  0.5830% (0.90   0.02   0.02) =   0.004%
          HA    GLN   32 - HN    ASP-  86  24.78 +/- 7.71   0.282% *  0.4721% (0.73   0.02   0.02) =   0.002%
          HB    THR   94 - HN    ASP-  86  13.10 +/- 2.27   1.073% *  0.1003% (0.15   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    ASP-  86  23.23 +/- 2.47   0.184% *  0.5430% (0.84   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    ASP-  86  30.43 +/- 5.38   0.079% *  0.4968% (0.76   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    ASP-  86  29.91 +/- 3.33   0.083% *  0.2673% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.85 +/- 0.12  98.002% * 95.3192% (0.61   2.25  10.79) =  99.979%  kept
          HB2   CYS   53 - HN    ASP-  86  18.38 +/- 3.29   0.654% *  1.3481% (0.97   0.02   0.02) =   0.009%
          HD3   PRO   52 - HN    ASP-  86  19.13 +/- 3.65   0.562% *  0.7350% (0.53   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  23.95 +/- 6.84   0.305% *  0.8473% (0.61   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ASP-  86  24.26 +/- 6.10   0.277% *  0.7909% (0.57   0.02   0.02) =   0.002%
          HD2   PRO   58 - HN    ASP-  86  23.77 +/- 2.80   0.201% *  0.9596% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.10 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   2.57 +/- 0.47  97.297% * 99.6258% (0.98  10.0   5.03  42.53) =  99.999%  kept
          HB2   ASN   28 - HN    ASP-  86  21.10 +/- 7.77   0.512% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  11.87 +/- 2.09   1.580% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  21.90 +/- 2.78   0.229% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  24.44 +/- 6.13   0.189% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  27.43 +/- 7.36   0.193% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 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   2.63 +/- 0.49  98.115% * 99.2823% (0.41  10.0   3.55  42.53) =  99.996%  kept
          HG3   MET   96 - HN    ASP-  86  15.93 +/- 5.17   1.226% *  0.2394% (0.99   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    ASP-  86  24.25 +/- 2.35   0.166% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  30.66 +/- 6.87   0.136% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  24.59 +/- 7.82   0.357% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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   2.13 +/- 0.08  83.201% * 99.3113% (0.76  10.0   3.15  18.03) =  99.989%  kept
          HA    ALA   88 - HN    SER   85   4.91 +/- 0.51   7.459% *  0.0893% (0.69   1.0   0.02   0.02) =   0.008%
          HB2   SER   82 - HN    SER   85   5.59 +/- 0.28   4.817% *  0.0201% (0.15   1.0   0.02   2.87) =   0.001%
          QB    SER   48 - HN    SER   85  10.96 +/- 3.50   2.814% *  0.0289% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   85  13.12 +/- 3.32   0.783% *  0.0583% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER   85  17.45 +/- 3.59   0.244% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  25.45 +/- 6.99   0.100% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  13.27 +/- 2.02   0.436% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  23.04 +/- 2.39   0.074% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  30.42 +/- 4.83   0.034% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  30.07 +/- 3.24   0.038% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 +/- 0.03  92.520% * 99.3529% (0.49  10.0   3.27  20.70) =  99.990%  kept
          HB2   TRP   49 - HN    SER   85  16.21 +/- 3.93   3.463% *  0.1402% (0.69   1.0   0.02   0.02) =   0.005%
          HA    VAL   75 - HN    SER   85  13.29 +/- 1.71   2.130% *  0.1074% (0.53   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    SER   85  19.50 +/- 3.02   0.885% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  26.14 +/- 2.91   0.304% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  26.30 +/- 2.97   0.278% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.50 +/- 3.27   0.421% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 20.7:
          QB    ALA   84 - HN    SER   85   2.72 +/- 0.14  89.261% * 96.0219% (1.00   3.98  20.70) =  99.967%  kept
          HB3   LEU   80 - HN    SER   85   6.62 +/- 0.65   6.735% *  0.2543% (0.53   0.02   0.02) =   0.020%
          HB3   PRO   93 - HN    SER   85  16.36 +/- 1.15   0.445% *  0.4834% (1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    SER   85  20.25 +/- 5.32   0.393% *  0.4665% (0.97   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    SER   85  16.55 +/- 1.78   0.460% *  0.3694% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   85  19.39 +/- 4.58   0.395% *  0.2932% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  21.88 +/- 7.03   0.457% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    SER   85  17.85 +/- 2.40   0.394% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  21.39 +/- 3.13   0.228% *  0.3127% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  24.33 +/- 6.59   0.230% *  0.1987% (0.41   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  23.32 +/- 3.14   0.181% *  0.2353% (0.49   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  20.96 +/- 2.90   0.243% *  0.1492% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  29.89 +/- 2.99   0.081% *  0.4335% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  23.68 +/- 3.02   0.175% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  23.37 +/- 2.47   0.163% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  26.53 +/- 6.00   0.159% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 3.8, residual support = 17.5:
      O   HA    ALA   84 - HN    ALA   84   2.73 +/- 0.02  95.205% * 99.3529% (0.49  10.0   3.80  17.52) =  99.994%  kept
          HB2   TRP   49 - HN    ALA   84  15.33 +/- 3.57   1.701% *  0.1402% (0.69   1.0   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    ALA   84  10.87 +/- 1.64   1.845% *  0.1074% (0.53   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    ALA   84  18.92 +/- 3.49   0.629% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  24.26 +/- 2.98   0.189% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  24.63 +/- 2.97   0.157% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.68 +/- 3.27   0.274% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 40.1:
          HB    VAL   83 - HN    ALA   84   3.31 +/- 0.25  86.930% * 97.8480% (0.99   5.33  40.12) =  99.982%  kept
          HB3   MET   92 - HN    ALA   84  13.78 +/- 2.98   7.439% *  0.0649% (0.18   0.02   0.02) =   0.006%
          QD    LYS+  65 - HN    ALA   84  19.47 +/- 2.65   0.611% *  0.3577% (0.97   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ALA   84  15.43 +/- 1.58   0.939% *  0.1950% (0.53   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    ALA   84  20.62 +/- 5.30   0.660% *  0.2691% (0.73   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HN    ALA   84  14.85 +/- 1.59   1.120% *  0.1524% (0.41   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    ALA   84  25.29 +/- 3.30   0.254% *  0.3674% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   84  25.68 +/- 3.21   0.215% *  0.3506% (0.95   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  16.54 +/- 2.92   0.994% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  22.76 +/- 3.70   0.364% *  0.0924% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  29.79 +/- 3.47   0.146% *  0.1804% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  23.45 +/- 3.72   0.328% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.12, residual support = 17.5:
      O   QB    ALA   84 - HN    ALA   84   2.00 +/- 0.05  85.877% * 98.7026% (0.87  10.0   4.12  17.52) =  99.945%  kept
          HB3   LEU   80 - HN    ALA   84   4.22 +/- 0.68  12.056% *  0.3751% (0.28   1.0   0.24   0.02) =   0.053%
          HB3   PRO   93 - HN    ALA   84  14.92 +/- 1.40   0.228% *  0.1020% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  18.71 +/- 5.04   0.225% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  18.45 +/- 4.46   0.195% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  15.61 +/- 2.32   0.226% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  14.48 +/- 2.03   0.275% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  18.98 +/- 2.88   0.127% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  23.50 +/- 6.05   0.100% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  22.01 +/- 3.31   0.085% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.23 +/- 3.19   0.132% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  21.07 +/- 2.44   0.085% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  20.15 +/- 6.62   0.213% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  24.48 +/- 5.75   0.076% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  28.27 +/- 2.92   0.036% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.30 +/- 3.72   0.061% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.692, support = 5.7, residual support = 39.2:
          QG1   VAL   83 - HN    ALA   84   3.99 +/- 0.62  66.558% * 93.3077% (0.69   5.83  40.12) =  97.790%  kept
          QD2   LEU   80 - HN    ALA   84   5.78 +/- 0.65  26.390% *  5.2308% (0.95   0.24   0.02) =   2.174%  kept
          QD1   LEU   73 - HN    ALA   84  13.57 +/- 2.81   2.666% *  0.2829% (0.61   0.02   0.02) =   0.012%
          QD1   LEU   63 - HN    ALA   84  15.91 +/- 3.42   2.278% *  0.2829% (0.61   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    ALA   84  17.77 +/- 2.42   1.327% *  0.4305% (0.92   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    ALA   84  20.23 +/- 3.40   0.783% *  0.4653% (1.00   0.02   0.02) =   0.006%
    Distance limit 4.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.753, support = 5.99, residual support = 39.0:
          QG2   VAL   83 - HN    ALA   84   2.89 +/- 0.71  70.973% * 87.7896% (0.76   6.20  40.12) =  95.862%  kept
          QD1   ILE   89 - HN    ALA   84   5.70 +/- 1.30  22.791% * 11.7579% (0.49   1.30  13.52) =   4.123%  kept
          QD2   LEU   31 - HN    ALA   84  15.16 +/- 5.01   1.718% *  0.3699% (1.00   0.02   0.02) =   0.010%
          QG2   VAL   43 - HN    ALA   84  10.41 +/- 2.83   4.518% *  0.0825% (0.22   0.02   0.02) =   0.006%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.09, residual support = 19.0:
          HB2   SER   82 - HN    VAL   83   3.16 +/- 0.51  88.596% * 97.0042% (0.75   4.09  19.00) =  99.958%  kept
          HA    ALA   88 - HN    VAL   83   8.76 +/- 0.34   5.086% *  0.2686% (0.43   0.02   0.02) =   0.016%
          HA    SER   48 - HN    VAL   83  13.36 +/- 3.58   2.630% *  0.3798% (0.60   0.02   0.02) =   0.012%
          HA    GLU-  29 - HN    VAL   83  21.80 +/- 7.76   0.808% *  0.4650% (0.74   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    VAL   83  22.38 +/- 7.10   0.461% *  0.4702% (0.75   0.02   0.02) =   0.003%
          HA    LYS+  33 - HN    VAL   83  25.32 +/- 6.97   0.352% *  0.4254% (0.68   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    VAL   83  18.25 +/- 3.77   0.881% *  0.1618% (0.26   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  22.97 +/- 7.43   0.570% *  0.2496% (0.40   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    VAL   83  22.69 +/- 2.60   0.354% *  0.2877% (0.46   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   83  25.15 +/- 3.19   0.260% *  0.2877% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.32 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 = 85.2:
      O   HA    VAL   83 - HN    VAL   83   2.80 +/- 0.02  96.992% * 99.4506% (0.46  10.0   4.70  85.22) =  99.996%  kept
          HB2   CYS   53 - HN    VAL   83  17.65 +/- 3.84   1.429% *  0.1582% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    VAL   83  21.59 +/- 6.97   0.513% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    VAL   83  19.28 +/- 3.86   0.478% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.82 +/- 3.24   0.274% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  23.32 +/- 5.95   0.314% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 85.2:
      O   HB    VAL   83 - HN    VAL   83   2.08 +/- 0.34  97.317% * 99.4176% (0.75  10.0   4.77  85.22) =  99.999%  kept
          QD    LYS+  65 - HN    VAL   83  19.88 +/- 2.50   0.250% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  15.98 +/- 3.11   0.984% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  20.42 +/- 6.07   0.194% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  15.26 +/- 1.60   0.303% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.44 +/- 1.70   0.224% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  24.81 +/- 3.89   0.081% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.63 +/- 2.97   0.363% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  26.51 +/- 3.71   0.060% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.58 +/- 3.84   0.047% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.56 +/- 3.94   0.091% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.22 +/- 3.96   0.086% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.308, support = 0.02, residual support = 0.101:
          HB2   LEU   80 - HN    VAL   83   3.75 +/- 0.63  85.679% *  2.8578% (0.19   0.02   0.14) =  68.920%  kept
          QB    LEU   98 - HN    VAL   83  16.41 +/- 5.02   2.821% *  7.8727% (0.52   0.02   0.02) =   6.252%  kept
          HB3   LEU   73 - HN    VAL   83  15.69 +/- 2.91   1.948% *  9.9416% (0.65   0.02   0.02) =   5.450%  kept
          HG3   LYS+ 106 - HN    VAL   83  19.26 +/- 5.06   1.609% *  7.4142% (0.49   0.02   0.02) =   3.357%  kept
          HB    VAL   42 - HN    VAL   83  19.42 +/- 3.39   0.964% * 10.5799% (0.70   0.02   0.02) =   2.871%  kept
          HG3   LYS+ 102 - HN    VAL   83  23.26 +/- 6.96   1.014% *  9.5730% (0.63   0.02   0.02) =   2.733%  kept
          HB3   LYS+  74 - HN    VAL   83  15.19 +/- 2.17   1.839% *  4.7118% (0.31   0.02   0.02) =   2.439%  kept
          HG3   LYS+  33 - HN    VAL   83  23.84 +/- 6.70   0.716% * 11.0607% (0.73   0.02   0.02) =   2.231%  kept
          HG3   LYS+  65 - HN    VAL   83  21.51 +/- 2.49   0.626% * 10.5799% (0.70   0.02   0.02) =   1.865%  kept
          QB    ALA   12 - HN    VAL   83  24.82 +/- 4.04   0.474% * 10.5799% (0.70   0.02   0.02) =   1.411%  kept
          HB2   LYS+ 112 - HN    VAL   83  23.74 +/- 3.42   0.555% *  8.7588% (0.58   0.02   0.02) =   1.368%  kept
          HB3   PRO   93 - HN    VAL   83  16.72 +/- 1.60   1.433% *  1.7684% (0.12   0.02   0.02) =   0.713%  kept
          HD3   LYS+ 121 - HN    VAL   83  27.44 +/- 3.95   0.322% *  4.3014% (0.28   0.02   0.02) =   0.390%  kept
    Distance limit 3.85 A violated in 0 structures by 0.21 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 = 0.723, support = 5.13, residual support = 80.3:
          QG1   VAL   83 - HN    VAL   83   3.03 +/- 0.34  66.051% * 86.1850% (0.75   5.33  85.22) =  94.252%  kept
          QD2   LEU   80 - HN    VAL   83   4.52 +/- 0.83  28.771% * 11.7995% (0.31   1.76   0.14) =   5.621%  kept
          QG2   ILE   89 - HN    VAL   83   7.57 +/- 0.64   4.515% *  1.6823% (0.46   0.17   0.02) =   0.126%  kept
          QD1   LEU  104 - HN    VAL   83  20.36 +/- 4.05   0.332% *  0.2109% (0.49   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   83  18.90 +/- 2.58   0.331% *  0.1223% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.17, residual support = 84.5:
          QG2   VAL   83 - HN    VAL   83   3.20 +/- 0.31  85.428% * 93.6011% (0.74   5.21  85.22) =  99.137%  kept
          QD1   ILE   89 - HN    VAL   83   7.24 +/- 1.28  11.149% *  6.1766% (0.73   0.35   0.02) =   0.854%  kept
          QD2   LEU   31 - HN    VAL   83  14.76 +/- 5.71   3.423% *  0.2224% (0.46   0.02   0.02) =   0.009%
    Distance limit 4.07 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 = 4.29, residual support = 34.7:
      O   HB2   SER   82 - HN    SER   82   2.69 +/- 0.52  93.003% * 99.3063% (0.87  10.0   4.29  34.68) =  99.996%  kept
          HA    SER   48 - HN    SER   82  13.50 +/- 3.87   1.633% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    SER   82   9.81 +/- 0.43   2.602% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  22.67 +/- 7.68   0.683% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  23.37 +/- 6.76   0.320% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  26.48 +/- 6.75   0.288% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.13 +/- 2.36   0.203% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  26.46 +/- 3.40   0.156% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  24.19 +/- 7.17   0.450% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.83 +/- 4.00   0.478% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  27.31 +/- 4.50   0.184% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 3.68, residual support = 34.7:
      O   HB3   SER   82 - HN    SER   82   2.71 +/- 0.54  96.789% * 99.2682% (0.69  10.0   3.68  34.68) =  99.996%  kept
          HA    ILE   89 - HN    SER   82  11.74 +/- 0.95   1.568% *  0.1445% (1.00   1.0   0.02   0.02) =   0.002%
          QB    SER   13 - HN    SER   82  26.65 +/- 5.05   0.215% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.93 +/- 3.02   0.254% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  25.55 +/- 3.88   0.136% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.79 +/- 4.09   0.614% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  27.45 +/- 4.83   0.116% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  22.66 +/- 6.74   0.308% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.14, residual support = 19.9:
          QB    LYS+  81 - HN    SER   82   3.22 +/- 0.36  90.551% * 96.7601% (0.97   5.14  19.89) =  99.972%  kept
          HB3   GLN   90 - HN    SER   82  12.87 +/- 2.33   1.852% *  0.3598% (0.92   0.02   0.02) =   0.008%
          HB2   MET   92 - HN    SER   82  16.63 +/- 3.22   2.662% *  0.1463% (0.38   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    SER   82  19.07 +/- 3.48   0.669% *  0.3820% (0.98   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    SER   82  20.13 +/- 6.60   1.080% *  0.2051% (0.53   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    SER   82  23.39 +/- 4.34   0.634% *  0.3381% (0.87   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    SER   82  22.81 +/- 6.09   0.508% *  0.3381% (0.87   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  21.97 +/- 5.88   0.580% *  0.2677% (0.69   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  22.47 +/- 4.39   0.472% *  0.2830% (0.73   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    SER   82  25.09 +/- 3.65   0.257% *  0.2979% (0.76   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    SER   82  26.84 +/- 3.65   0.240% *  0.2521% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  28.36 +/- 4.48   0.181% *  0.2830% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  24.94 +/- 3.88   0.314% *  0.0868% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.14, residual support = 19.9:
          QG    LYS+  81 - HN    SER   82   3.76 +/- 1.07  97.646% * 98.7752% (0.25   5.14  19.89) =  99.986%  kept
          HG2   LYS+ 106 - HN    SER   82  21.55 +/- 4.84   1.456% *  0.4753% (0.31   0.02   0.02) =   0.007%
          HG3   ARG+  54 - HN    SER   82  22.77 +/- 4.27   0.898% *  0.7495% (0.49   0.02   0.02) =   0.007%
    Distance limit 5.01 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 = 0.885, support = 3.79, residual support = 14.6:
          QG1   VAL   83 - HN    SER   82   5.11 +/- 0.37  39.497% * 78.6208% (0.95   4.47  19.00) =  76.416%  kept
          QD2   LEU   80 - HN    SER   82   4.72 +/- 0.88  46.772% * 20.4484% (0.69   1.60   0.49) =  23.536%  kept
          QG2   ILE   89 - HN    SER   82   8.86 +/- 0.79   7.592% *  0.1269% (0.34   0.02   0.02) =   0.024%
          QD1   LEU   73 - HN    SER   82  14.45 +/- 3.26   2.641% *  0.1148% (0.31   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    SER   82  19.98 +/- 2.68   1.025% *  0.2406% (0.65   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    SER   82  22.03 +/- 3.76   0.672% *  0.3336% (0.90   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    SER   82  17.75 +/- 3.47   1.801% *  0.1148% (0.31   0.02   0.02) =   0.005%
    Distance limit 4.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 111.6:
      O   QB    LYS+  81 - HN    LYS+  81   2.15 +/- 0.15  96.846% * 99.1460% (0.97  10.0   5.76 111.57) =  99.998%  kept
          HB3   GLN   90 - HN    LYS+  81  12.82 +/- 2.50   0.589% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  81  16.03 +/- 3.23   0.946% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  22.11 +/- 4.67   0.301% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  19.14 +/- 2.97   0.181% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  19.41 +/- 5.83   0.325% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  22.27 +/- 5.35   0.152% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.86 +/- 4.48   0.175% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  22.35 +/- 5.04   0.142% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  24.88 +/- 2.96   0.074% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  25.70 +/- 3.48   0.076% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.97 +/- 3.92   0.057% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  23.29 +/- 4.21   0.137% *  0.0229% (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 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 111.6:
          QG    LYS+  81 - HN    LYS+  81   2.86 +/- 0.43  97.571% * 98.9747% (0.97   5.93 111.57) =  99.996%  kept
          HG2   LYS+ 106 - HN    LYS+  81  21.72 +/- 4.26   0.470% *  0.3193% (0.92   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    LYS+  81  14.34 +/- 1.33   0.959% *  0.1180% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LYS+  81  23.97 +/- 6.08   0.338% *  0.3272% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  24.34 +/- 3.41   0.225% *  0.1068% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  25.41 +/- 4.00   0.243% *  0.0770% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.43 +/- 3.39   0.194% *  0.0770% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.426, support = 5.8, residual support = 40.6:
          QD2   LEU   80 - HN    LYS+  81   4.23 +/- 0.76  37.264% * 78.0591% (0.53   6.01  40.65) =  73.022%  kept
          QD1   LEU   80 - HN    LYS+  81   3.71 +/- 0.80  53.604% * 19.9966% (0.15   5.25  40.65) =  26.909%  kept
          QD1   LEU   73 - HN    LYS+  81  13.67 +/- 2.90   2.484% *  0.4430% (0.90   0.02   0.02) =   0.028%
          QD1   LEU   63 - HN    LYS+  81  16.71 +/- 3.39   1.254% *  0.4430% (0.90   0.02   0.02) =   0.014%
          QD2   LEU   63 - HN    LYS+  81  17.28 +/- 3.27   1.029% *  0.4126% (0.84   0.02   0.02) =   0.011%
          QD2   LEU  115 - HN    LYS+  81  18.94 +/- 2.93   1.091% *  0.2797% (0.57   0.02   0.02) =   0.008%
          QG2   VAL   41 - HN    LYS+  81  16.54 +/- 3.20   1.267% *  0.1373% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    LYS+  81  16.52 +/- 3.92   1.569% *  0.0762% (0.15   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LYS+  81  21.90 +/- 3.13   0.438% *  0.1525% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.573, support = 3.8, residual support = 15.5:
          HB2   ASP-  78 - HN    GLU-  79   3.19 +/- 0.55  46.415% * 73.8512% (0.60   4.54  20.30) =  72.476%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.04 +/- 0.72  51.120% * 25.4602% (0.51   1.84   2.75) =  27.519%  kept
          HB2   ASN   28 - HN    GLU-  79  17.96 +/- 4.80   0.406% *  0.1363% (0.25   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    GLU-  79  15.17 +/- 3.16   0.577% *  0.0922% (0.17   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  79  11.47 +/- 1.46   1.129% *  0.0449% (0.08   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  20.05 +/- 3.76   0.237% *  0.1745% (0.32   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    GLU-  79  22.74 +/- 2.35   0.115% *  0.2408% (0.44   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 4.27, residual support = 56.5:
      O   HB2   GLU-  79 - HN    GLU-  79   2.67 +/- 0.32  96.404% * 98.3341% (0.09  10.0   4.27  56.50) =  99.986%  kept
          HB2   PRO   58 - HN    GLU-  79  18.73 +/- 4.18   1.374% *  0.5103% (0.49   1.0   0.02   0.02) =   0.007%
          HG2   PRO   52 - HN    GLU-  79  15.76 +/- 4.31   0.971% *  0.2857% (0.27   1.0   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    GLU-  79  18.97 +/- 5.36   0.437% *  0.4123% (0.39   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    GLU-  79  19.49 +/- 1.65   0.287% *  0.2174% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLU-  79  22.12 +/- 3.70   0.368% *  0.1419% (0.14   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLU-  79  24.40 +/- 3.43   0.159% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.11, residual support = 56.5:
      O   HB3   GLU-  79 - HN    GLU-  79   2.75 +/- 0.58  96.229% * 99.6469% (0.59  10.0   4.11  56.50) =  99.997%  kept
          HB2   GLN   90 - HN    GLU-  79  13.21 +/- 2.03   1.373% *  0.0789% (0.47   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  79  22.97 +/- 3.72   0.699% *  0.1023% (0.60   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  20.73 +/- 4.81   0.649% *  0.0953% (0.56   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  79  20.35 +/- 5.19   0.620% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  25.72 +/- 3.51   0.430% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 39.6:
      O   HB3   ASP-  78 - HN    ASP-  78   2.61 +/- 0.45  87.679% * 98.7166% (0.49  10.0   3.95  39.62) =  99.940%  kept
          QE    LYS+  74 - HN    ASP-  78   8.40 +/- 1.50   4.007% *  0.9113% (0.98   1.0   0.09   0.02) =   0.042%
          QB    CYS   50 - HN    ASP-  78   9.42 +/- 3.74   7.543% *  0.1957% (0.97   1.0   0.02   0.02) =   0.017%
          HB2   PHE   72 - HN    ASP-  78  14.97 +/- 0.86   0.596% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  22.50 +/- 2.01   0.175% *  0.1312% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.33, residual support = 36.2:
      O   HB2   ASP-  78 - HN    ASP-  78   2.75 +/- 0.51  64.621% * 81.7494% (0.98  10.0   5.35  39.62) =  90.090%  kept
          HB2   ASP-  76 - HN    ASP-  78   4.04 +/- 0.84  32.140% * 18.0774% (0.84   1.0   5.19   4.73) =   9.909%  kept
          HB2   ASN   28 - HN    ASP-  78  18.81 +/- 4.37   0.791% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  14.95 +/- 3.13   0.793% *  0.0232% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASP-  78  11.66 +/- 1.39   1.195% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.70 +/- 3.41   0.296% *  0.0439% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  22.84 +/- 2.15   0.164% *  0.0606% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.74, residual support = 28.6:
      O   HA    THR   77 - HN    ASP-  78   3.52 +/- 0.06  90.321% * 99.9219% (0.92  10.0   4.74  28.59) =  99.997%  kept
          HA    LEU   31 - HN    ASP-  78  18.90 +/- 3.88   4.733% *  0.0241% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    ASP-  78  12.23 +/- 1.86   2.779% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  14.49 +/- 3.88   2.167% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 4.23 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 = 3.01, residual support = 4.73:
          HA    ASP-  76 - HN    ASP-  78   3.59 +/- 0.22  98.952% * 99.7124% (0.95   3.01   4.73) =  99.997%  kept
          HA    LEU   67 - HN    ASP-  78  17.98 +/- 2.58   1.048% *  0.2876% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.34 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 = 4.03, residual support = 37.5:
      O   HA    THR   77 - HN    THR   77   2.82 +/- 0.05  96.607% * 99.8846% (0.98  10.0   4.03  37.49) =  99.998%  kept
          HD2   PRO   93 - HN    THR   77  10.90 +/- 1.59   2.095% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    THR   77  13.56 +/- 3.14   1.298% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 0.935, support = 3.84, residual support = 15.7:
          HB2   ASP-  76 - HN    THR   77   4.28 +/- 0.30  57.574% * 63.1030% (1.00   4.11  10.96) =  73.220%  kept
          HB2   ASP-  78 - HN    THR   77   5.19 +/- 0.64  36.482% * 36.4089% (0.76   3.10  28.59) =  26.770%  kept
          QE    LYS+  66 - HN    THR   77  16.34 +/- 3.54   2.900% *  0.0609% (0.20   0.02   0.02) =   0.004%
          HB2   ASN   69 - HN    THR   77  20.96 +/- 2.06   0.544% *  0.2968% (0.97   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    THR   77  18.05 +/- 3.56   1.674% *  0.0539% (0.18   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    THR   77  19.55 +/- 3.05   0.825% *  0.0767% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.81 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 = 10.9:
          HB3   ASP-  76 - HN    THR   77   3.93 +/- 0.49  70.249% * 95.2526% (0.57   3.64  10.96) =  99.826%  kept
          HG3   MET   92 - HN    THR   77  11.69 +/- 1.57   3.116% *  0.9255% (1.00   0.02   0.02) =   0.043%
          QG    GLN   90 - HN    THR   77   9.89 +/- 2.15   7.108% *  0.3157% (0.34   0.02   0.02) =   0.033%
          HG12  ILE  119 - HN    THR   77  16.97 +/- 2.94   3.069% *  0.6357% (0.69   0.02   0.02) =   0.029%
          HB2   ASP-  44 - HN    THR   77   8.20 +/- 0.98   9.423% *  0.1832% (0.20   0.02   0.02) =   0.026%
          HB2   GLU-  29 - HN    THR   77  19.88 +/- 3.94   1.312% *  0.9072% (0.98   0.02   0.02) =   0.018%
          HB2   ASP- 105 - HN    THR   77  18.84 +/- 1.51   0.713% *  0.7411% (0.80   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    THR   77  13.85 +/- 0.88   1.903% *  0.2573% (0.28   0.02   0.02) =   0.007%
          HG2   GLU- 100 - HN    THR   77  23.08 +/- 2.24   0.491% *  0.4505% (0.49   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    THR   77  19.34 +/- 2.90   1.036% *  0.2060% (0.22   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR   77  20.36 +/- 3.98   1.580% *  0.1253% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 4.03, residual support = 37.5:
          QG2   THR   77 - HN    THR   77   2.39 +/- 0.61  77.922% * 96.0966% (0.61   4.03  37.49) =  99.905%  kept
          HB3   LEU   80 - HN    THR   77   7.87 +/- 1.79   7.486% *  0.3233% (0.41   0.02   0.59) =   0.032%
          HB2   LEU   31 - HN    THR   77  17.83 +/- 4.03   3.202% *  0.4453% (0.57   0.02   0.02) =   0.019%
          HB3   ASP-  44 - HN    THR   77   8.09 +/- 1.62   6.522% *  0.1751% (0.22   0.02   0.02) =   0.015%
          QB    ALA   88 - HN    THR   77  11.15 +/- 1.36   0.987% *  0.7439% (0.95   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - HN    THR   77  18.89 +/- 3.77   1.310% *  0.5088% (0.65   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    THR   77  12.66 +/- 3.27   2.289% *  0.2427% (0.31   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HN    THR   77  22.14 +/- 1.82   0.155% *  0.7053% (0.90   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   77  24.68 +/- 2.62   0.128% *  0.7590% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.881, support = 1.09, residual support = 1.79:
          QB    ALA   47 - HN    THR   77   7.18 +/- 1.79  45.902% * 72.7748% (0.90   1.19   2.08) =  85.630%  kept
          QG1   VAL   42 - HN    THR   77  10.40 +/- 1.24  20.771% * 26.1066% (0.80   0.48   0.02) =  13.901%  kept
          QB    ALA   64 - HN    THR   77   9.98 +/- 1.40  20.154% *  0.5097% (0.38   0.02   0.02) =   0.263%  kept
          HG2   LYS+ 112 - HN    THR   77  16.44 +/- 4.42  13.173% *  0.6089% (0.45   0.02   0.02) =   0.206%  kept
    Distance limit 4.36 A violated in 14 structures by 2.24 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 82.9:
      O   HA    VAL   75 - HN    VAL   75   2.90 +/- 0.03  85.948% * 99.8428% (0.97  10.0   5.24  82.86) =  99.993%  kept
          HA    ALA   61 - HN    VAL   75   7.53 +/- 2.28  11.158% *  0.0353% (0.34   1.0   0.02   0.02) =   0.005%
          HD3   PRO   58 - HN    VAL   75  13.75 +/- 2.53   1.328% *  0.1014% (0.98   1.0   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    VAL   75  12.93 +/- 2.10   1.566% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.853, support = 0.927, residual support = 1.02:
          HB2   ASP-  44 - HN    VAL   75   4.82 +/- 0.67  63.377% * 59.2395% (0.87   0.97   0.92) =  87.570%  kept
          HB3   PHE   72 - HN    VAL   75   8.16 +/- 0.68  14.627% * 35.0441% (0.76   0.65   1.78) =  11.956%  kept
          QG    GLU-  15 - HN    VAL   75  15.81 +/- 3.63   7.134% *  1.3331% (0.95   0.02   0.02) =   0.222%  kept
          QG    GLU-  14 - HN    VAL   75  15.27 +/- 2.66   2.944% *  1.1771% (0.84   0.02   0.02) =   0.081%
          QG    GLN   90 - HN    VAL   75  14.40 +/- 2.03   3.183% *  0.9680% (0.69   0.02   0.02) =   0.072%
          HG12  ILE  119 - HN    VAL   75  14.11 +/- 1.85   3.589% *  0.4807% (0.34   0.02   0.02) =   0.040%
          QB    MET   11 - HN    VAL   75  20.94 +/- 3.54   1.260% *  1.2639% (0.90   0.02   0.02) =   0.037%
          HG2   MET   92 - HN    VAL   75  14.65 +/- 1.52   2.730% *  0.2468% (0.18   0.02   0.02) =   0.016%
          HG3   GLU-  36 - HN    VAL   75  21.27 +/- 2.51   1.156% *  0.2468% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.57 A violated in 1 structures by 0.33 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.339, support = 3.72, residual support = 24.4:
          HB3   LYS+  74 - HN    VAL   75   4.26 +/- 0.35  42.220% * 40.1386% (0.20   4.47  32.09) =  75.077%  kept
          HG    LEU   73 - HN    VAL   75   7.48 +/- 0.80   9.980% * 53.2095% (0.76   1.54   1.50) =  23.526%  kept
          QB    ALA   61 - HN    VAL   75   7.65 +/- 1.97  12.004% *  0.8892% (0.98   0.02   0.02) =   0.473%  kept
          QG    LYS+  66 - HN    VAL   75  11.10 +/- 2.64   5.565% *  0.8374% (0.92   0.02   0.02) =   0.206%  kept
          HB3   LEU   67 - HN    VAL   75   9.66 +/- 1.87   5.105% *  0.9051% (1.00   0.02   0.02) =   0.205%  kept
          HG    LEU   80 - HN    VAL   75  11.34 +/- 3.22   5.348% *  0.7869% (0.87   0.02   0.30) =   0.186%  kept
          HG12  ILE   19 - HN    VAL   75  11.50 +/- 4.47   3.535% *  0.6933% (0.76   0.02   0.02) =   0.109%  kept
          HB2   LEU   80 - HN    VAL   75  10.56 +/- 2.16   4.494% *  0.3094% (0.34   0.02   0.30) =   0.062%
          QB    ALA  110 - HN    VAL   75  14.47 +/- 2.24   1.549% *  0.7577% (0.84   0.02   0.02) =   0.052%
          HG    LEU   67 - HN    VAL   75  10.12 +/- 1.62   4.596% *  0.1795% (0.20   0.02   0.02) =   0.037%
          HB3   LEU  115 - HN    VAL   75  12.42 +/- 1.85   2.408% *  0.2522% (0.28   0.02   0.02) =   0.027%
          HG    LEU   40 - HN    VAL   75  12.57 +/- 1.29   2.067% *  0.2522% (0.28   0.02   0.02) =   0.023%
          HG2   LYS+ 102 - HN    VAL   75  20.08 +/- 1.86   0.487% *  0.5868% (0.65   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - HN    VAL   75  18.44 +/- 2.31   0.642% *  0.2020% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.87, residual support = 32.0:
          HG2   LYS+  74 - HN    VAL   75   3.21 +/- 0.67  73.935% * 95.3773% (0.45   5.88  32.09) =  99.812%  kept
          QB    ALA   34 - HN    VAL   75  11.65 +/- 2.08   7.994% *  0.4969% (0.69   0.02   0.02) =   0.056%
          QG2   ILE   56 - HN    VAL   75  11.54 +/- 2.75   4.500% *  0.6275% (0.87   0.02   0.02) =   0.040%
          QB    ALA   91 - HN    VAL   75  11.29 +/- 1.52   2.603% *  0.6981% (0.97   0.02   0.02) =   0.026%
          HG13  ILE   19 - HN    VAL   75  12.00 +/- 4.48   2.896% *  0.4969% (0.69   0.02   0.02) =   0.020%
          QG2   THR   39 - HN    VAL   75  12.46 +/- 1.36   1.912% *  0.6981% (0.97   0.02   0.02) =   0.019%
          QG2   THR   23 - HN    VAL   75  12.08 +/- 2.86   3.277% *  0.2467% (0.34   0.02   0.02) =   0.011%
          HG    LEU   71 - HN    VAL   75  12.86 +/- 1.25   1.874% *  0.2974% (0.41   0.02   0.02) =   0.008%
          HG3   LYS+  38 - HN    VAL   75  19.99 +/- 2.17   0.456% *  0.7090% (0.98   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    VAL   75  18.30 +/- 1.66   0.552% *  0.3521% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.44 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 = 0.927, support = 4.53, residual support = 80.8:
      O   HB    VAL   75 - HN    VAL   75   2.43 +/- 0.42  71.122% * 85.6554% (0.95  10.0   4.45  82.86) =  95.846%  kept
          HG3   LYS+  74 - HN    VAL   75   4.39 +/- 0.82  18.638% * 14.1322% (0.49   1.0   6.41  32.09) =   4.144%  kept
          QD1   LEU   67 - HN    VAL   75   7.13 +/- 1.47   6.598% *  0.0658% (0.73   1.0   0.02   0.02) =   0.007%
          QD2   LEU   40 - HN    VAL   75  11.23 +/- 1.27   1.605% *  0.0692% (0.76   1.0   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    VAL   75  13.31 +/- 1.08   0.609% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.18 +/- 2.16   1.427% *  0.0226% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 0.559, support = 1.38, residual support = 1.28:
          QD2   LEU   73 - HN    VAL   75   6.04 +/- 1.15  18.610% * 60.9729% (0.41   2.06   1.50) =  61.618%  kept
          QG2   THR   46 - HN    VAL   75   5.84 +/- 1.40  21.496% * 18.4767% (0.69   0.37   1.65) =  21.568%  kept
          QG1   VAL   43 - HN    VAL   75   6.37 +/- 1.29  16.957% * 16.0474% (0.97   0.23   0.02) =  14.776%  kept
          QG2   VAL   18 - HN    VAL   75   8.72 +/- 5.37  15.746% *  1.1534% (0.80   0.02   0.02) =   0.986%  kept
          QG1   VAL   41 - HN    VAL   75  10.08 +/- 1.96   5.142% *  1.4372% (1.00   0.02   0.02) =   0.401%  kept
          HG    LEU   31 - HN    VAL   75  12.43 +/- 3.20   8.766% *  0.8155% (0.57   0.02   0.02) =   0.388%  kept
          QD1   ILE   19 - HN    VAL   75  10.24 +/- 3.21   4.894% *  0.4913% (0.34   0.02   0.02) =   0.131%  kept
          QD1   ILE   56 - HN    VAL   75  11.24 +/- 2.42   7.384% *  0.2850% (0.20   0.02   0.02) =   0.114%  kept
          QD2   LEU  104 - HN    VAL   75  14.69 +/- 1.51   1.005% *  0.3207% (0.22   0.02   0.02) =   0.017%
    Distance limit 4.44 A violated in 0 structures by 0.11 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.24, residual support = 82.8:
          QG1   VAL   75 - HN    VAL   75   3.27 +/- 0.41  95.060% * 99.6851% (0.92   5.24  82.86) =  99.984%  kept
          QD1   LEU  115 - HN    VAL   75  10.49 +/- 2.01   4.940% *  0.3149% (0.76   0.02   0.02) =   0.016%
    Distance limit 4.48 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 = 0.486, support = 4.97, residual support = 82.7:
          QG2   VAL   75 - HN    VAL   75   3.26 +/- 0.46  85.096% * 98.6460% (0.49   4.98  82.86) =  99.850%  kept
          QG2   VAL   42 - HN    VAL   75   7.76 +/- 1.28  10.133% *  1.1511% (0.34   0.08   0.02) =   0.139%  kept
          QD1   ILE   89 - HN    VAL   75   9.97 +/- 2.13   4.771% *  0.2029% (0.25   0.02   0.02) =   0.012%
    Distance limit 3.89 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 = 0.692, support = 4.37, residual support = 182.9:
      O   HB3   LYS+  74 - HN    LYS+  74   2.66 +/- 0.32  50.579% * 90.3053% (0.71  10.0   4.35 187.00) =  97.258%  kept
          HB3   LEU   73 - HN    LYS+  74   3.54 +/- 0.82  28.668% *  3.8308% (0.11   1.0   5.49  42.01) =   2.338%  kept
          HG12  ILE   19 - HN    LYS+  74   8.52 +/- 4.75   3.433% *  5.3568% (0.43   1.0   1.95   7.80) =   0.392%  kept
          QB    ALA   61 - HN    LYS+  74   8.34 +/- 2.31   7.948% *  0.0279% (0.22   1.0   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    LYS+  74  12.13 +/- 1.82   0.924% *  0.0785% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LYS+  74  12.53 +/- 2.65   0.755% *  0.0873% (0.68   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  74   9.55 +/- 1.98   2.743% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LYS+  74  13.03 +/- 3.73   0.848% *  0.0441% (0.34   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  15.59 +/- 2.75   0.639% *  0.0549% (0.43   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74   9.94 +/- 1.61   1.654% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  18.99 +/- 3.38   0.224% *  0.0905% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  16.60 +/- 2.20   0.338% *  0.0476% (0.37   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  11.05 +/- 1.78   0.835% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.64 +/- 2.06   0.411% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 5.95, residual support = 42.0:
          QD2   LEU   73 - HN    LYS+  74   4.02 +/- 0.38  83.232% * 97.3465% (0.20   5.96  42.01) =  99.894%  kept
          QD1   ILE   56 - HN    LYS+  74  12.64 +/- 2.85   8.154% *  0.6181% (0.37   0.02   0.02) =   0.062%
          HG3   LYS+ 121 - HN    LYS+  74  19.01 +/- 3.17   1.133% *  1.1645% (0.70   0.02   0.02) =   0.016%
          HG    LEU   31 - HN    LYS+  74  11.12 +/- 1.99   5.879% *  0.2058% (0.12   0.02   0.02) =   0.015%
          QD2   LEU  123 - HN    LYS+  74  17.80 +/- 2.89   1.602% *  0.6652% (0.40   0.02   0.02) =   0.013%
    Distance limit 3.84 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 = 5.71, residual support = 42.0:
          HB2   LEU   73 - HN    LYS+  74   3.27 +/- 0.77  84.944% * 97.9637% (0.64   5.72  42.01) =  99.957%  kept
          QG1   ILE   56 - HN    LYS+  74  13.14 +/- 3.16   3.892% *  0.2163% (0.40   0.02   0.02) =   0.010%
          QD    LYS+  99 - HN    LYS+  74  16.15 +/- 2.33   2.075% *  0.3813% (0.71   0.02   0.02) =   0.010%
          QD    LYS+ 106 - HN    LYS+  74  15.69 +/- 2.28   1.955% *  0.3787% (0.70   0.02   0.02) =   0.009%
          HB3   MET   92 - HN    LYS+  74  16.73 +/- 1.69   1.244% *  0.2920% (0.54   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    LYS+  74  15.21 +/- 2.23   2.249% *  0.1303% (0.24   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    LYS+  74  17.20 +/- 2.06   1.357% *  0.1713% (0.32   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    LYS+  74  21.55 +/- 2.85   0.569% *  0.2472% (0.46   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    LYS+  74  20.73 +/- 2.99   0.655% *  0.1434% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  18.48 +/- 1.89   1.059% *  0.0756% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.56, support = 0.02, residual support = 0.0841:
          HB    VAL   41 - HN    LYS+  74  10.38 +/- 1.93  19.755% * 15.4986% (0.71   0.02   0.02) =  28.860%  kept
          QB    LYS+  66 - HN    LYS+  74  11.44 +/- 1.75  14.934% * 14.9905% (0.68   0.02   0.02) =  21.101%  kept
          QB    LYS+  65 - HN    LYS+  74   9.82 +/- 1.30  21.542% *  6.3858% (0.29   0.02   0.02) =  12.966%  kept
          HB2   LEU   71 - HN    LYS+  74   9.96 +/- 1.27  20.929% *  5.8297% (0.27   0.02   0.58) =  11.500%  kept
          HG12  ILE  103 - HN    LYS+  74  15.07 +/- 1.97   6.212% * 14.6936% (0.67   0.02   0.02) =   8.603%  kept
          HG2   PRO   93 - HN    LYS+  74  15.39 +/- 2.42   6.403% * 11.8708% (0.54   0.02   0.02) =   7.164%  kept
          HB3   PRO   52 - HN    LYS+  74  19.52 +/- 3.44   3.557% * 11.2793% (0.51   0.02   0.02) =   3.782%  kept
          HG    LEU  123 - HN    LYS+  74  20.47 +/- 3.36   3.029% * 11.2793% (0.51   0.02   0.02) =   3.220%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.96 +/- 1.87   3.639% *  8.1723% (0.37   0.02   0.02) =   2.803%  kept
    Distance limit 4.57 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.769, support = 5.19, residual support = 42.3:
          HB3   PHE   72 - HN    LEU   73   3.48 +/- 0.62  72.505% * 71.0883% (0.76   5.39  44.61) =  94.274%  kept
          HB2   ASP-  44 - HN    LEU   73   7.89 +/- 2.16  11.232% * 27.5119% (0.87   1.84   4.58) =   5.652%  kept
          QG    GLU-  15 - HN    LEU   73  12.39 +/- 3.64   6.623% *  0.3264% (0.95   0.02   0.02) =   0.040%
          QG    GLU-  14 - HN    LEU   73  12.50 +/- 2.88   3.225% *  0.2882% (0.84   0.02   0.02) =   0.017%
          QB    MET   11 - HN    LEU   73  17.84 +/- 3.23   1.302% *  0.3095% (0.90   0.02   0.02) =   0.007%
          HG12  ILE  119 - HN    LEU   73  14.65 +/- 3.22   2.883% *  0.1177% (0.34   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    LEU   73  18.60 +/- 2.00   0.585% *  0.2370% (0.69   0.02   0.02) =   0.003%
          HG3   GLU-  36 - HN    LEU   73  16.52 +/- 2.58   1.064% *  0.0604% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  18.90 +/- 2.80   0.580% *  0.0604% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.53 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 = 6.25, residual support = 173.0:
      O   HB2   LEU   73 - HN    LEU   73   3.34 +/- 0.36  86.464% * 99.3783% (0.99  10.0   6.25 173.04) =  99.992%  kept
          QD    LYS+  99 - HN    LEU   73  13.89 +/- 2.01   1.549% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    LEU   73  14.50 +/- 2.06   1.443% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          QG1   ILE   56 - HN    LEU   73  13.31 +/- 3.06   3.984% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU   73  16.12 +/- 3.12   1.205% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    LEU   73  17.51 +/- 2.49   0.795% *  0.0994% (0.99   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  21.16 +/- 3.78   0.548% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  16.54 +/- 2.51   0.932% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  19.78 +/- 3.03   0.600% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LEU   73  14.61 +/- 2.00   1.261% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  14.68 +/- 2.01   1.220% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.448, support = 6.28, residual support = 158.9:
      O   HB3   LEU   73 - HN    LEU   73   2.97 +/- 0.48  55.550% * 61.1012% (0.41  10.0   6.55 173.04) =  89.827%  kept
          HB3   LYS+  74 - HN    LEU   73   6.30 +/- 0.90  10.723% * 28.7544% (0.87   1.0   4.46  42.01) =   8.160%  kept
          HB    VAL   42 - HN    LEU   73   7.66 +/- 2.41   6.768% *  7.5871% (0.49   1.0   2.10   0.19) =   1.359%  kept
          HG12  ILE   19 - HN    LEU   73   7.03 +/- 4.37  13.878% *  1.6918% (0.28   1.0   0.82   4.64) =   0.621%  kept
          QB    LEU   98 - HN    LEU   73  10.21 +/- 2.34   3.918% *  0.1483% (1.00   1.0   0.02   0.02) =   0.015%
          HG3   LYS+  33 - HN    LEU   73  11.23 +/- 3.02   2.108% *  0.0841% (0.57   1.0   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    LEU   73  14.97 +/- 2.76   0.723% *  0.1372% (0.92   1.0   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    LEU   73  14.78 +/- 3.16   0.936% *  0.1021% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   73  11.74 +/- 1.69   1.279% *  0.0723% (0.49   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    LEU   73  17.97 +/- 4.42   0.494% *  0.1241% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   73  18.51 +/- 4.31   0.868% *  0.0459% (0.31   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   73  15.25 +/- 4.45   1.321% *  0.0294% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  15.23 +/- 2.20   0.639% *  0.0331% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   73  16.62 +/- 2.89   0.506% *  0.0331% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  18.68 +/- 2.70   0.289% *  0.0558% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.968, support = 7.98, residual support = 169.6:
          QD2   LEU   73 - HN    LEU   73   1.98 +/- 0.45  73.473% * 84.4400% (0.98   8.08 173.04) =  97.953%  kept
          QG1   VAL   43 - HN    LEU   73   6.35 +/- 2.91   8.842% * 14.2476% (0.38   3.56   6.06) =   1.989%  kept
          QG1   VAL   41 - HN    LEU   73   7.19 +/- 2.07   2.944% *  0.8333% (0.57   0.14   0.02) =   0.039%
          HG    LEU   31 - HN    LEU   73   8.91 +/- 2.93   3.085% *  0.2129% (1.00   0.02   1.44) =   0.010%
          QG2   VAL   18 - HN    LEU   73   7.85 +/- 4.06  10.988% *  0.0422% (0.20   0.02   0.23) =   0.007%
          QD1   ILE   56 - HN    LEU   73  12.84 +/- 2.88   0.521% *  0.1708% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   73  17.89 +/- 3.96   0.147% *  0.0532% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.576, support = 6.14, residual support = 160.9:
          QD1   LEU   73 - HN    LEU   73   3.42 +/- 0.59  48.376% * 69.0828% (0.57   6.55 173.04) =  92.971%  kept
          QG2   VAL   41 - HN    LEU   73   6.44 +/- 2.51  17.404% *  6.3947% (0.61   0.57   0.02) =   3.096%  kept
          QD2   LEU   63 - HN    LEU   73   8.58 +/- 1.53   5.781% * 12.2223% (1.00   0.66   0.02) =   1.966%  kept
          QD1   LEU   63 - HN    LEU   73   8.16 +/- 1.43   5.756% * 11.8177% (0.57   1.12   0.02) =   1.892%  kept
          QD2   LEU   98 - HN    LEU   73   9.33 +/- 2.97   8.223% *  0.1533% (0.41   0.02   0.02) =   0.035%
          QD2   LEU  115 - HN    LEU   73  12.15 +/- 3.42  10.266% *  0.0930% (0.25   0.02   0.02) =   0.027%
          QD1   LEU   80 - HN    LEU   73  13.47 +/- 3.87   1.863% *  0.1533% (0.41   0.02   0.02) =   0.008%
          QD2   LEU   80 - HN    LEU   73  12.10 +/- 3.59   2.331% *  0.0830% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.33 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 = 0.696, support = 2.6, residual support = 3.47:
          QB    ALA   64 - HN    LEU   73   5.14 +/- 0.89  56.272% * 84.2630% (0.73   2.82   3.87) =  89.029%  kept
          QG1   VAL   42 - HN    LEU   73   6.54 +/- 2.15  38.511% * 15.1264% (0.45   0.82   0.19) =  10.938%  kept
          QB    ALA   47 - HN    LEU   73  14.12 +/- 1.65   3.197% *  0.4663% (0.57   0.02   0.02) =   0.028%
          HG2   LYS+ 112 - HN    LEU   73  18.33 +/- 4.59   2.019% *  0.1443% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.70 A violated in 0 structures by 0.29 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.283, support = 1.65, residual support = 5.82:
          QG2   VAL   43 - HN    LEU   73   6.13 +/- 2.70  44.731% * 90.8385% (0.25   1.73   6.06) =  95.083%  kept
          QD2   LEU   31 - HN    LEU   73   6.35 +/- 2.13  41.778% *  4.2132% (1.00   0.02   1.44) =   4.119%  kept
          QG2   VAL   83 - HN    LEU   73  12.59 +/- 2.64   7.360% *  3.0594% (0.73   0.02   0.02) =   0.527%  kept
          QD1   ILE   89 - HN    LEU   73  13.59 +/- 2.62   6.131% *  1.8889% (0.45   0.02   0.02) =   0.271%  kept
    Distance limit 4.57 A violated in 4 structures by 0.71 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.574, support = 4.72, residual support = 85.7:
      O   HB2   PHE   72 - HN    PHE   72   3.57 +/- 0.35  64.087% * 79.5549% (0.53  10.0   4.95  90.40) =  89.089%  kept
          HA    ALA   64 - HN    PHE   72   4.89 +/- 0.71  30.614% * 20.3919% (0.97   1.0   2.79  47.11) =  10.909%  kept
          HB3   ASN   69 - HN    PHE   72   9.04 +/- 0.64   4.158% *  0.0233% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.54 +/- 1.69   1.141% *  0.0299% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 5.25, residual support = 90.4:
      O   HB3   PHE   72 - HN    PHE   72   3.18 +/- 0.34  77.261% * 99.3598% (0.76  10.0   5.25  90.40) =  99.971%  kept
          HB2   ASP-  44 - HN    PHE   72   8.69 +/- 1.46   8.915% *  0.1128% (0.87   1.0   0.02   0.02) =   0.013%
          QG    GLU-  15 - HN    PHE   72  10.42 +/- 3.61   5.205% *  0.1230% (0.95   1.0   0.02   0.02) =   0.008%
          QG    GLU-  14 - HN    PHE   72  11.09 +/- 3.09   2.905% *  0.1086% (0.84   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    PHE   72  13.61 +/- 2.44   3.470% *  0.0443% (0.34   1.0   0.02   0.02) =   0.002%
          QB    MET   11 - HN    PHE   72  16.86 +/- 3.06   0.734% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  20.77 +/- 2.05   0.337% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.76 +/- 2.18   0.764% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.58 +/- 2.27   0.409% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 3.93, residual support = 18.6:
          HG    LEU   71 - HN    PHE   72   5.21 +/- 0.53  31.313% * 88.2838% (0.99   4.18  19.76) =  93.710%  kept
          HG13  ILE   19 - HN    PHE   72   6.78 +/- 4.59  32.237% *  2.4564% (0.95   0.12   1.60) =   2.684%  kept
          QG2   THR   39 - HN    PHE   72   7.21 +/- 2.15  17.213% *  3.1703% (0.65   0.23   0.02) =   1.850%  kept
          HG2   LYS+  74 - HN    PHE   72   8.33 +/- 1.37  10.377% *  4.8118% (1.00   0.23   1.75) =   1.693%  kept
          HG3   LYS+  99 - HN    PHE   72  14.34 +/- 3.35   1.965% *  0.4263% (1.00   0.02   0.02) =   0.028%
          HG3   LYS+  38 - HN    PHE   72  14.08 +/- 2.21   1.981% *  0.1600% (0.38   0.02   0.02) =   0.011%
          QB    ALA   91 - HN    PHE   72  16.74 +/- 1.80   1.015% *  0.2758% (0.65   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    PHE   72  13.90 +/- 2.71   2.860% *  0.0949% (0.22   0.02   0.02) =   0.009%
          HG12  ILE   89 - HN    PHE   72  19.81 +/- 2.79   0.605% *  0.1753% (0.41   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HN    PHE   72  21.61 +/- 2.63   0.434% *  0.1454% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.13 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.928, support = 5.22, residual support = 20.0:
          QD2   LEU   71 - HN    PHE   72   3.90 +/- 0.28  42.955% * 89.9052% (0.97   5.46  19.76) =  94.324%  kept
          QD1   LEU   67 - HN    PHE   72   4.95 +/- 1.53  29.705% *  7.1587% (0.31   1.36  25.14) =   5.194%  kept
          HG3   LYS+  74 - HN    PHE   72   8.67 +/- 1.70   8.279% *  2.0311% (0.53   0.23   1.75) =   0.411%  kept
          QD2   LEU   40 - HN    PHE   72   7.39 +/- 1.81  13.418% *  0.0949% (0.28   0.02   0.02) =   0.031%
          QG2   ILE  119 - HN    PHE   72  12.52 +/- 2.41   2.749% *  0.3294% (0.97   0.02   0.02) =   0.022%
          QD1   ILE  103 - HN    PHE   72  12.53 +/- 1.89   1.608% *  0.3405% (1.00   0.02   0.02) =   0.013%
          QG2   ILE  103 - HN    PHE   72  13.21 +/- 2.05   1.285% *  0.1403% (0.41   0.02   0.02) =   0.004%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.713, support = 2.96, residual support = 42.0:
          HA    VAL   70 - HN    PHE   72   4.91 +/- 0.36  35.270% * 84.9806% (0.80   3.32  50.71) =  82.336%  kept
          HA    VAL   18 - HN    PHE   72   6.15 +/- 6.29  49.258% * 12.9291% (0.31   1.31   1.56) =  17.495%  kept
          HA1   GLY   16 - HN    PHE   72  10.29 +/- 5.89   5.766% *  0.3362% (0.53   0.02   0.02) =   0.053%
          HA    GLN  116 - HN    PHE   72  15.73 +/- 2.83   3.360% *  0.5116% (0.80   0.02   0.02) =   0.047%
          HB2   SER   37 - HN    PHE   72  11.08 +/- 1.93   2.917% *  0.5542% (0.87   0.02   0.02) =   0.044%
          HA    LYS+  33 - HN    PHE   72  13.59 +/- 1.65   1.667% *  0.3110% (0.49   0.02   0.02) =   0.014%
          HA    GLU-  29 - HN    PHE   72  14.35 +/- 1.15   1.366% *  0.2179% (0.34   0.02   0.02) =   0.008%
          HB2   SER   82 - HN    PHE   72  21.79 +/- 2.34   0.395% *  0.1593% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.25, residual support = 34.8:
          HB    VAL   70 - HN    LEU   71   4.19 +/- 0.24  71.341% * 98.0088% (0.98   6.26  34.90) =  99.747%  kept
          QG    GLN   17 - HN    LEU   71   9.84 +/- 4.38  12.636% *  1.2524% (1.00   0.08   0.02) =   0.226%  kept
          HB2   MET   96 - HN    LEU   71  12.38 +/- 2.15   3.618% *  0.2066% (0.65   0.02   0.02) =   0.011%
          HB2   LYS+  38 - HN    LEU   71  11.29 +/- 3.01   6.164% *  0.0888% (0.28   0.02   0.02) =   0.008%
          HG2   GLU- 100 - HN    LEU   71  13.02 +/- 4.31   4.271% *  0.0711% (0.22   0.02   0.02) =   0.004%
          HB2   GLU-  25 - HN    LEU   71  18.70 +/- 1.31   0.874% *  0.3165% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  17.25 +/- 1.30   1.097% *  0.0559% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 6.32, residual support = 139.1:
      O   HB2   LEU   71 - HN    LEU   71   2.75 +/- 0.50  76.100% * 96.5538% (0.98  10.0   6.33 139.41) =  99.799%  kept
          HB    VAL   41 - HN    LEU   71   8.19 +/- 1.99   4.391% *  3.0160% (0.45   1.0   1.37   0.81) =   0.180%  kept
          QB    LYS+  65 - HN    LEU   71  10.06 +/- 2.17   9.913% *  0.0976% (0.99   1.0   0.02   0.02) =   0.013%
          QB    LYS+  66 - HN    LEU   71   9.99 +/- 1.02   3.623% *  0.0637% (0.65   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LEU   71  10.82 +/- 4.53   3.848% *  0.0518% (0.53   1.0   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    LEU   71  15.24 +/- 3.97   0.780% *  0.0983% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  19.63 +/- 2.81   0.473% *  0.0883% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  13.99 +/- 3.09   0.872% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.984, support = 5.57, residual support = 129.3:
          HG    LEU   71 - HN    LEU   71   3.17 +/- 0.55  48.112% * 75.0339% (0.99   5.90 139.41) =  92.726%  kept
          HG13  ILE   19 - HN    LEU   71   8.37 +/- 3.80  11.415% * 20.7626% (0.95   1.71   1.17) =   6.088%  kept
          QG2   THR   39 - HN    LEU   71   5.28 +/- 2.79  33.825% *  1.2487% (0.65   0.15   0.14) =   1.085%  kept
          HG2   LYS+  74 - HN    LEU   71  11.80 +/- 1.62   1.471% *  2.1852% (1.00   0.17   0.58) =   0.083%
          HG3   LYS+  99 - HN    LEU   71  12.53 +/- 4.70   1.563% *  0.2568% (1.00   0.02   0.02) =   0.010%
          HG3   LYS+  38 - HN    LEU   71  11.44 +/- 2.83   2.047% *  0.0964% (0.38   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    LEU   71  15.40 +/- 3.21   0.960% *  0.0572% (0.22   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    LEU   71  18.97 +/- 1.99   0.273% *  0.1661% (0.65   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  22.42 +/- 2.81   0.169% *  0.1056% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  22.93 +/- 3.29   0.165% *  0.0876% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 5.96, residual support = 92.9:
          QD1   LEU   71 - HN    LEU   71   3.35 +/- 0.83  47.682% * 41.4273% (0.84   6.24 139.41) =  56.593%  kept
          QG1   VAL   70 - HN    LEU   71   4.06 +/- 0.60  30.099% * 46.5784% (0.98   5.97  34.90) =  40.165%  kept
          QG1   VAL   18 - HN    LEU   71   8.41 +/- 4.52   9.426% *  9.0421% (1.00   1.14   0.02) =   2.442%  kept
          HB3   LEU   63 - HN    LEU   71   9.17 +/- 1.95  10.209% *  2.7104% (0.69   0.50   0.02) =   0.793%  kept
          QD1   LEU  123 - HN    LEU   71  13.40 +/- 2.93   1.273% *  0.1329% (0.84   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    LEU   71  14.63 +/- 3.29   0.935% *  0.0774% (0.49   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   71  18.20 +/- 1.39   0.377% *  0.0315% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 6.36, residual support = 34.9:
          QG2   VAL   70 - HN    LEU   71   3.18 +/- 0.59 100.000% *100.0000% (0.73   6.36  34.90) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.20 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.46, residual support = 79.4:
      O   HB    VAL   70 - HN    VAL   70   2.76 +/- 0.36  90.200% * 99.6297% (0.76  10.0   4.46  79.45) =  99.990%  kept
          QG    GLN   17 - HN    VAL   70   9.87 +/- 4.65   6.695% *  0.1089% (0.84   1.0   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    VAL   70  12.85 +/- 2.71   1.443% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   70  13.28 +/- 1.97   1.043% *  0.0445% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  21.07 +/- 1.45   0.261% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.17 +/- 1.70   0.358% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.782, support = 0.708, residual support = 8.56:
          HB3   LEU   67 - HN    VAL   70   4.02 +/- 0.81  36.729% * 30.6904% (0.87   0.75   0.27) =  60.669%  kept
          HG    LEU   40 - HN    VAL   70   6.29 +/- 2.30  16.862% * 25.7575% (0.61   0.90  35.75) =  23.376%  kept
          HG    LEU   67 - HN    VAL   70   5.00 +/- 1.16  24.032% *  5.4452% (0.49   0.24   0.27) =   7.043%  kept
          QG    LYS+  66 - HN    VAL   70   7.63 +/- 1.10   8.007% * 12.5702% (0.98   0.27   0.02) =   5.417%  kept
          HG    LEU   73 - HN    VAL   70  11.93 +/- 1.25   2.228% * 19.3789% (0.99   0.41   0.71) =   2.324%  kept
          HG12  ILE   19 - HN    VAL   70  10.00 +/- 3.71   5.797% *  3.0528% (0.41   0.16   0.16) =   0.952%  kept
          QB    ALA   61 - HN    VAL   70  10.35 +/- 1.00   2.679% *  0.6850% (0.73   0.02   0.02) =   0.099%
          HB3   LEU  115 - HN    VAL   70  14.32 +/- 3.06   2.321% *  0.5722% (0.61   0.02   0.02) =   0.071%
          HG2   LYS+ 102 - HN    VAL   70  18.92 +/- 4.87   0.598% *  0.8924% (0.95   0.02   0.02) =   0.029%
          QB    ALA  110 - HN    VAL   70  18.33 +/- 2.27   0.423% *  0.4592% (0.49   0.02   0.02) =   0.010%
          HG    LEU   80 - HN    VAL   70  20.80 +/- 3.20   0.324% *  0.4963% (0.53   0.02   0.02) =   0.009%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 4.6, residual support = 70.1:
          QG1   VAL   70 - HN    VAL   70   2.45 +/- 0.62  62.682% * 52.4134% (0.92   4.77  79.45) =  79.158%  kept
          QD1   LEU   71 - HN    VAL   70   5.82 +/- 1.22  18.395% * 46.8699% (1.00   3.94  34.90) =  20.774%  kept
          QG1   VAL   18 - HN    VAL   70   8.96 +/- 4.48   8.073% *  0.1988% (0.84   0.02   0.02) =   0.039%
          HB3   LEU   63 - HN    VAL   70   7.56 +/- 1.98   8.484% *  0.0812% (0.34   0.02   0.02) =   0.017%
          QD1   LEU  123 - HN    VAL   70  12.02 +/- 3.12   1.847% *  0.2380% (1.00   0.02   0.02) =   0.011%
          HB3   LEU  104 - HN    VAL   70  15.06 +/- 3.66   0.519% *  0.1988% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.66 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 = 4.04, residual support = 79.5:
          QG2   VAL   70 - HN    VAL   70   3.40 +/- 0.67 100.000% *100.0000% (0.98   4.04  79.45) = 100.000%  kept
    Distance limit 4.09 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 = 2.96, residual support = 59.2:
      O   HB2   ASN   69 - HD22  ASN   69   3.84 +/- 0.39  88.835% * 99.7633% (0.55  10.0   2.96  59.18) =  99.996%  kept
          QE    LYS+  66 - HD22  ASN   69  10.95 +/- 1.71   6.871% *  0.0227% (0.12   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HD22  ASN   69  20.68 +/- 2.17   0.697% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  14.17 +/- 2.76   2.405% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.17 +/- 2.53   0.428% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.28 +/- 2.69   0.763% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.556, support = 3.04, residual support = 23.2:
          QG1   VAL   70 - HD22  ASN   69   4.57 +/- 1.46  45.500% * 87.3964% (0.56   3.25  24.99) =  92.680%  kept
          QD1   LEU   71 - HD22  ASN   69   7.07 +/- 2.06  27.773% * 10.9423% (0.53   0.43   0.02) =   7.083%  kept
          HB3   LEU   63 - HD22  ASN   69  10.30 +/- 3.17  13.722% *  0.2834% (0.30   0.02   0.02) =   0.091%
          QD1   LEU  123 - HD22  ASN   69  11.70 +/- 4.38   6.801% *  0.5096% (0.53   0.02   0.02) =   0.081%
          QG1   VAL   18 - HD22  ASN   69  12.02 +/- 3.69   3.937% *  0.5199% (0.54   0.02   0.02) =   0.048%
          HB3   LEU  104 - HD22  ASN   69  15.21 +/- 4.72   2.267% *  0.3485% (0.36   0.02   0.02) =   0.018%
    Distance limit 4.38 A violated in 0 structures by 0.13 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.96, residual support = 2.96:
          HA    LEU   67 - HN    ASN   69   3.92 +/- 0.75 100.000% *100.0000% (0.92   2.96   2.96) = 100.000%  kept
    Distance limit 4.72 A violated in 0 structures by 0.11 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.3:
          HD2   PRO   68 - HN    ASN   69   3.06 +/- 0.84  92.712% * 99.1830% (0.80   5.97  31.34) =  99.976%  kept
          HA    ALA   61 - HN    ASN   69  11.92 +/- 1.55   4.237% *  0.3927% (0.95   0.02   0.02) =   0.018%
          HA    VAL   75 - HN    ASN   69  15.09 +/- 2.17   2.162% *  0.1558% (0.38   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    ASN   69  17.32 +/- 2.14   0.890% *  0.2685% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.57 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 = 5.96, residual support = 31.3:
          HD3   PRO   68 - HN    ASN   69   3.51 +/- 0.60  86.111% * 98.4634% (0.99   5.97  31.34) =  99.949%  kept
          HB3   CYS   53 - HN    ASN   69  20.53 +/- 3.86   6.365% *  0.3213% (0.97   0.02   0.02) =   0.024%
          HD2   ARG+  54 - HN    ASN   69  22.67 +/- 5.41   2.477% *  0.3073% (0.92   0.02   0.02) =   0.009%
          QB    PHE   55 - HN    ASN   69  19.45 +/- 3.12   2.110% *  0.3213% (0.97   0.02   0.02) =   0.008%
          HB2   PHE   59 - HN    ASN   69  14.61 +/- 2.28   1.913% *  0.2544% (0.76   0.02   0.02) =   0.006%
          HD3   PRO   93 - HN    ASN   69  21.46 +/- 3.67   1.025% *  0.3322% (1.00   0.02   0.02) =   0.004%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.682, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.76 +/- 1.63  33.513% * 39.8620% (0.87   0.02   0.02) =  54.647%  kept
          HA    ALA   64 - HN    ASN   69   6.86 +/- 1.18  61.273% * 14.1837% (0.31   0.02   0.02) =  35.551%  kept
          HB3   ASN   35 - HN    ASN   69  16.76 +/- 2.83   5.214% * 45.9543% (1.00   0.02   0.02) =   9.802%  kept
    Distance limit 3.93 A violated in 17 structures by 2.54 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.156, support = 3.82, residual support = 24.9:
          HB    VAL   70 - HN    ASN   69   4.62 +/- 0.46  69.883% * 89.1764% (0.15   3.84  24.99) =  99.494%  kept
          HB2   LYS+  38 - HN    ASN   69  13.55 +/- 3.24   4.544% *  2.9833% (0.99   0.02   0.02) =   0.216%  kept
          QG    GLN   17 - HN    ASN   69  10.61 +/- 4.70  17.937% *  0.5957% (0.20   0.02   0.02) =   0.171%  kept
          HG3   GLU-  29 - HN    ASN   69  20.84 +/- 2.17   0.914% *  2.4102% (0.80   0.02   0.02) =   0.035%
          QB    GLU-  36 - HN    ASN   69  15.11 +/- 2.37   3.030% *  0.5271% (0.18   0.02   0.02) =   0.026%
          HB3   GLU-  29 - HN    ASN   69  19.37 +/- 2.16   1.191% *  1.2374% (0.41   0.02   0.02) =   0.024%
          HB2   GLN   90 - HN    ASN   69  27.51 +/- 3.61   0.617% *  1.8256% (0.61   0.02   0.02) =   0.018%
          HB2   GLU-  25 - HN    ASN   69  22.83 +/- 1.85   0.671% *  0.8369% (0.28   0.02   0.02) =   0.009%
          HB3   GLU-  79 - HN    ASN   69  20.14 +/- 2.74   1.213% *  0.4074% (0.14   0.02   0.02) =   0.008%
    Distance limit 4.67 A violated in 0 structures by 0.15 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.946, support = 6.03, residual support = 31.3:
      O   HB3   PRO   68 - HN    ASN   69   3.95 +/- 0.62  36.553% * 95.4523% (0.99  10.0   6.03  31.34) =  94.769%  kept
          HG2   PRO   68 - HN    ASN   69   3.53 +/- 1.13  48.833% *  3.9273% (0.14   1.0   6.03  31.34) =   5.209%  kept
          QB    GLU-  15 - HN    ASN   69  11.05 +/- 3.45   2.930% *  0.0699% (0.73   1.0   0.02   0.02) =   0.006%
          HB2   GLN   17 - HN    ASN   69  12.23 +/- 4.62   2.686% *  0.0699% (0.73   1.0   0.02   0.02) =   0.005%
          HG3   GLN   30 - HN    ASN   69  15.06 +/- 1.89   1.024% *  0.0835% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ASN   69  14.00 +/- 1.90   1.430% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASN   69  14.83 +/- 3.10   1.106% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ASN   69  16.63 +/- 5.66   0.968% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASN   69  12.84 +/- 3.15   1.693% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  22.01 +/- 4.95   0.938% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  22.40 +/- 3.88   0.313% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ASN   69  17.29 +/- 3.48   0.999% *  0.0214% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ASN   69  23.37 +/- 1.99   0.241% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.31 +/- 2.25   0.287% *  0.0329% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.48, residual support = 31.3:
          HG3   PRO   68 - HN    ASN   69   3.82 +/- 0.64  79.644% * 92.7591% (0.38   5.49  31.34) =  99.825%  kept
          HB3   LYS+  38 - HN    ASN   69  12.70 +/- 3.50   4.346% *  0.8515% (0.95   0.02   0.02) =   0.050%
          HB    ILE   56 - HN    ASN   69  18.56 +/- 3.17   2.206% *  0.8981% (1.00   0.02   0.02) =   0.027%
          HB3   GLN   30 - HN    ASN   69  14.88 +/- 1.70   2.140% *  0.7208% (0.80   0.02   0.02) =   0.021%
          QB    LYS+  33 - HN    ASN   69  14.46 +/- 2.12   2.175% *  0.5460% (0.61   0.02   0.02) =   0.016%
          HG2   ARG+  54 - HN    ASN   69  21.81 +/- 4.78   2.251% *  0.4036% (0.45   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HN    ASN   69  17.27 +/- 2.03   1.167% *  0.7208% (0.80   0.02   0.02) =   0.011%
          HB3   ASP- 105 - HN    ASN   69  16.13 +/- 3.24   1.831% *  0.4381% (0.49   0.02   0.02) =   0.011%
          HB3   PRO   58 - HN    ASN   69  16.35 +/- 1.85   1.437% *  0.4036% (0.45   0.02   0.02) =   0.008%
          HB    ILE  103 - HN    ASN   69  18.34 +/- 4.06   1.369% *  0.3701% (0.41   0.02   0.02) =   0.007%
          QB    LYS+  81 - HN    ASN   69  23.44 +/- 2.68   0.502% *  0.6879% (0.76   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    ASN   69  23.15 +/- 3.32   0.587% *  0.5823% (0.65   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    ASN   69  27.07 +/- 3.60   0.345% *  0.6183% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.09 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.715, support = 4.27, residual support = 23.8:
          QG1   VAL   70 - HN    ASN   69   3.31 +/- 1.10  59.841% * 81.4930% (0.73   4.41  24.99) =  95.401%  kept
          QD1   LEU   71 - HN    ASN   69   7.01 +/- 1.21  13.209% * 16.9955% (0.49   1.37   0.02) =   4.392%  kept
          QG1   VAL   18 - HN    ASN   69  10.29 +/- 4.20  12.241% *  0.4248% (0.84   0.02   0.02) =   0.102%  kept
          HB3   LEU   63 - HN    ASN   69   8.51 +/- 2.30   7.922% *  0.4909% (0.97   0.02   0.02) =   0.076%
          QD1   LEU  123 - HN    ASN   69  11.90 +/- 3.68   4.982% *  0.2476% (0.49   0.02   0.02) =   0.024%
          QG1   VAL  108 - HN    ASN   69  19.11 +/- 2.01   0.770% *  0.2476% (0.49   0.02   0.02) =   0.004%
          HB3   LEU  104 - HN    ASN   69  15.85 +/- 3.98   1.035% *  0.1007% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.985, support = 3.93, residual support = 19.1:
          HD2   PRO   68 - HN    LEU   67   4.11 +/- 0.81  54.754% * 96.2088% (1.00   3.95  19.03) =  98.526%  kept
          HA    VAL   24 - HE3   TRP   27   5.60 +/- 0.47  25.337% *  2.8645% (0.04   2.74  23.09) =   1.357%  kept
          HA    ALA   61 - HN    LEU   67   7.53 +/- 0.90  11.685% *  0.4706% (0.97   0.02   0.02) =   0.103%  kept
          HD3   PRO   58 - HN    LEU   67  13.46 +/- 1.39   1.990% *  0.1505% (0.31   0.02   0.02) =   0.006%
          HA    ALA   61 - HE3   TRP   27  12.58 +/- 2.17   2.879% *  0.0592% (0.12   0.02   0.02) =   0.003%
          HA    VAL   24 - HN    LEU   67  18.10 +/- 2.43   0.970% *  0.1663% (0.34   0.02   0.02) =   0.003%
          HD2   PRO   68 - HE3   TRP   27  14.98 +/- 2.60   1.664% *  0.0612% (0.13   0.02   0.02) =   0.002%
          HD3   PRO   58 - HE3   TRP   27  18.74 +/- 3.28   0.721% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 4.26, residual support = 19.0:
          HD3   PRO   68 - HN    LEU   67   3.63 +/- 0.83  81.264% * 97.3694% (0.76   4.26  19.03) =  99.942%  kept
          HB2   PHE   59 - HN    LEU   67  11.25 +/- 1.79   4.776% *  0.2457% (0.41   0.02   0.02) =   0.015%
          HB3   CYS   53 - HN    LEU   67  16.82 +/- 2.26   1.668% *  0.5653% (0.95   0.02   0.02) =   0.012%
          HD2   ARG+  54 - HN    LEU   67  18.81 +/- 3.90   1.533% *  0.5858% (0.98   0.02   0.02) =   0.011%
          QB    PHE   55 - HN    LEU   67  16.40 +/- 1.50   1.495% *  0.4105% (0.69   0.02   0.02) =   0.008%
          HD3   PRO   93 - HN    LEU   67  18.13 +/- 2.92   1.059% *  0.4785% (0.80   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HE3   TRP   27  22.33 +/- 3.78   1.825% *  0.0736% (0.12   0.02   0.02) =   0.002%
          HD3   PRO   68 - HE3   TRP   27  15.13 +/- 2.65   1.822% *  0.0574% (0.10   0.02   0.02) =   0.001%
          HB3   CYS   53 - HE3   TRP   27  18.43 +/- 2.94   0.902% *  0.0711% (0.12   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  17.45 +/- 3.09   1.933% *  0.0309% (0.05   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  19.45 +/- 2.54   0.948% *  0.0516% (0.09   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  18.75 +/- 2.56   0.775% *  0.0602% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.587, support = 2.91, residual support = 9.42:
          HA    ALA   64 - HN    LEU   67   3.55 +/- 0.63  67.677% * 24.3317% (0.65   1.23   4.19) =  50.616%  kept
          QE    LYS+  66 - HN    LEU   67   5.93 +/- 0.73  21.410% * 75.0007% (0.53   4.65  14.78) =  49.358%  kept
          HB3   ASN   35 - HN    LEU   67  18.96 +/- 2.81   0.678% *  0.5127% (0.84   0.02   0.02) =   0.011%
          HA    ALA   64 - HE3   TRP   27  10.82 +/- 1.81   4.121% *  0.0499% (0.08   0.02   0.02) =   0.006%
          QE    LYS+  66 - HE3   TRP   27  16.66 +/- 3.48   3.927% *  0.0406% (0.07   0.02   0.02) =   0.005%
          HB3   ASN   35 - HE3   TRP   27  12.37 +/- 1.36   2.187% *  0.0644% (0.10   0.02   0.02) =   0.004%
    Distance limit 4.28 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 = 5.07, residual support = 58.2:
      O   HB2   LEU   67 - HN    LEU   67   3.11 +/- 0.61  49.886% * 82.2960% (0.61  10.0   5.13  60.34) =  94.840%  kept
          HG2   PRO   68 - HN    LEU   67   5.93 +/- 0.86  12.990% * 17.1240% (0.65   1.0   3.90  19.03) =   5.139%  kept
          HB    VAL   18 - HN    LEU   67   9.97 +/- 5.82   6.536% *  0.0463% (0.34   1.0   0.02   0.02) =   0.007%
          HB2   LEU  115 - HN    LEU   67  13.74 +/- 2.62   1.111% *  0.1284% (0.95   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU   67  13.88 +/- 1.59   0.807% *  0.1309% (0.97   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    LEU   67  12.22 +/- 3.27   1.373% *  0.0768% (0.57   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HE3   TRP   27   6.80 +/- 1.77   9.515% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HE3   TRP   27  10.98 +/- 2.93  10.137% *  0.0058% (0.04   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LEU   67  15.48 +/- 2.74   0.881% *  0.0660% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HE3   TRP   27  17.13 +/- 3.39   0.781% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  16.31 +/- 3.04   1.098% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  12.67 +/- 1.49   1.102% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  18.16 +/- 3.30   0.443% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.05 +/- 3.34   0.418% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.30 +/- 0.39   1.692% *  0.0034% (0.02   1.0   0.02   0.53) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  22.26 +/- 2.25   0.194% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  17.79 +/- 3.50   0.582% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.28 +/- 4.01   0.455% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.92, support = 4.5, residual support = 13.1:
          QB    LYS+  66 - HN    LEU   67   3.10 +/- 0.52  44.379% * 73.7158% (0.95   4.86  14.78) =  88.165%  kept
          QB    LYS+  65 - HN    LEU   67   4.53 +/- 0.37  18.020% * 22.8839% (0.76   1.87   0.41) =  11.113%  kept
          HB    VAL   41 - HE3   TRP   27   7.81 +/- 3.06  15.851% *  1.5566% (0.10   0.96   0.42) =   0.665%  kept
          HB    VAL   41 - HN    LEU   67  12.16 +/- 2.74   2.176% *  0.2568% (0.80   0.02   0.02) =   0.015%
          HB2   LEU   71 - HN    LEU   67   9.76 +/- 1.02   1.865% *  0.2329% (0.73   0.02   0.02) =   0.012%
          HG2   PRO   93 - HN    LEU   67  16.63 +/- 2.88   0.729% *  0.3179% (0.99   0.02   0.02) =   0.006%
          HB3   GLN   17 - HN    LEU   67  11.48 +/- 4.49   2.290% *  0.0714% (0.22   0.02   0.02) =   0.004%
          HG12  ILE  103 - HN    LEU   67  16.31 +/- 3.76   0.779% *  0.2075% (0.65   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    LEU   67  18.50 +/- 3.81   0.439% *  0.2782% (0.87   0.02   0.02) =   0.003%
          HB2   LEU   71 - HE3   TRP   27  10.90 +/- 2.66   3.874% *  0.0293% (0.09   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    LEU   67  14.73 +/- 3.96   0.865% *  0.1204% (0.38   0.02   0.02) =   0.003%
          QB    LYS+  66 - HE3   TRP   27  14.45 +/- 2.62   1.226% *  0.0381% (0.12   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  13.12 +/- 2.54   1.384% *  0.0308% (0.10   0.02   0.02) =   0.001%
          HB3   GLN   17 - HE3   TRP   27  13.16 +/- 2.26   3.850% *  0.0090% (0.03   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  21.24 +/- 1.99   0.176% *  0.1204% (0.38   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  13.11 +/- 3.02   0.786% *  0.0261% (0.08   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  15.18 +/- 2.89   0.499% *  0.0350% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  18.30 +/- 2.69   0.251% *  0.0400% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  21.94 +/- 4.15   0.434% *  0.0151% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  22.98 +/- 2.99   0.125% *  0.0151% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.577, support = 5.16, residual support = 55.2:
      O   HB3   LEU   67 - HN    LEU   67   3.00 +/- 0.63  29.253% * 36.9583% (0.25  10.0   4.39  60.34) =  46.795%  kept
          HG    LEU   67 - HN    LEU   67   3.49 +/- 0.73  21.593% * 44.6394% (1.00   1.0   6.04  60.34) =  41.721%  kept
          QG    LYS+  66 - HN    LEU   67   3.95 +/- 0.60  14.810% * 16.4714% (0.41   1.0   5.41  14.78) =  10.559%  kept
          HG    LEU   73 - HE3   TRP   27   4.90 +/- 3.26  20.026% *  1.0285% (0.08   1.0   1.82  26.23) =   0.891%  kept
          HG    LEU   40 - HN    LEU   67   9.16 +/- 1.87   2.121% *  0.1469% (0.99   1.0   0.02   0.02) =   0.013%
          HB3   LEU   40 - HN    LEU   67   9.64 +/- 1.96   1.726% *  0.0665% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   LEU  115 - HN    LEU   67  12.62 +/- 2.40   0.495% *  0.1469% (0.99   1.0   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    LEU   67  13.46 +/- 2.80   0.491% *  0.1018% (0.69   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   67  12.93 +/- 2.49   0.472% *  0.1018% (0.69   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    LEU   67   7.54 +/- 0.76   1.802% *  0.0229% (0.15   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HE3   TRP   27  11.52 +/- 2.72   1.955% *  0.0185% (0.12   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU   67  12.53 +/- 1.59   0.373% *  0.0899% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HE3   TRP   27  16.29 +/- 3.64   0.607% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  21.31 +/- 4.39   0.098% *  0.1076% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  11.73 +/- 2.75   1.211% *  0.0084% (0.06   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  18.16 +/- 3.53   0.557% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  13.50 +/- 1.61   0.382% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  17.54 +/- 3.61   0.348% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.93 +/- 3.23   0.196% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  15.00 +/- 2.73   0.306% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  11.78 +/- 2.39   0.782% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  12.67 +/- 1.56   0.396% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.309, support = 4.2, residual support = 59.6:
          QD1   LEU   67 - HN    LEU   67   3.74 +/- 0.55  41.827% * 89.0168% (0.31   4.25  60.34) =  98.810%  kept
          QD2   LEU   71 - HE3   TRP   27   9.00 +/- 2.31   8.254% *  1.3659% (0.12   0.17   0.02) =   0.299%  kept
          HG3   LYS+  74 - HE3   TRP   27  10.50 +/- 1.75   2.737% *  3.4842% (0.07   0.78   0.02) =   0.253%  kept
          QD2   LEU   71 - HN    LEU   67   8.31 +/- 1.32   6.253% *  1.3108% (0.97   0.02   0.02) =   0.218%  kept
          QG2   ILE  119 - HN    LEU   67   9.98 +/- 2.58   5.170% *  1.3108% (0.97   0.02   0.02) =   0.180%  kept
          HG3   LYS+  74 - HN    LEU   67  10.04 +/- 2.58   3.217% *  0.7146% (0.53   0.02   0.02) =   0.061%
          QD2   LEU   40 - HN    LEU   67   8.91 +/- 1.58   5.805% *  0.3776% (0.28   0.02   0.02) =   0.058%
          QD1   ILE  103 - HN    LEU   67  14.67 +/- 3.25   1.271% *  1.3553% (1.00   0.02   0.02) =   0.046%
          QG2   ILE  119 - HE3   TRP   27  15.99 +/- 3.39   6.954% *  0.1648% (0.12   0.02   0.02) =   0.030%
          QG2   ILE  103 - HN    LEU   67  14.88 +/- 2.79   0.953% *  0.5584% (0.41   0.02   0.02) =   0.014%
          QD2   LEU   40 - HE3   TRP   27   9.81 +/- 2.55  10.425% *  0.0475% (0.03   0.02   0.02) =   0.013%
          QD1   ILE  103 - HE3   TRP   27  11.50 +/- 2.70   2.401% *  0.1704% (0.13   0.02   0.02) =   0.011%
          QD1   LEU   67 - HE3   TRP   27   9.79 +/- 1.55   3.237% *  0.0527% (0.04   0.02   0.02) =   0.005%
          QG2   ILE  103 - HE3   TRP   27  12.77 +/- 2.49   1.497% *  0.0702% (0.05   0.02   0.02) =   0.003%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.04, residual support = 30.9:
      O   HA    LYS+  65 - HN    LYS+  66   3.58 +/- 0.08  85.607% * 98.9277% (0.61  10.0   6.04  30.94) =  99.978%  kept
          HA2   GLY   16 - HN    LYS+  66  12.95 +/- 4.77   5.012% *  0.1120% (0.69   1.0   0.02   0.02) =   0.007%
          HA    ALA  120 - HN    LYS+  66  13.86 +/- 2.72   1.989% *  0.1574% (0.97   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 121 - HN    LYS+  66  14.68 +/- 2.57   1.681% *  0.1463% (0.90   1.0   0.02   0.02) =   0.003%
          QB    SER  117 - HN    LYS+  66  14.62 +/- 2.26   2.374% *  0.0923% (0.57   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  66  15.88 +/- 2.59   1.329% *  0.1543% (0.95   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    LYS+  66  18.30 +/- 3.14   0.876% *  0.1617% (0.99   1.0   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    LYS+  66  19.12 +/- 2.80   0.757% *  0.1362% (0.84   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  66  22.86 +/- 2.38   0.375% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 2.63, residual support = 7.48:
          HA    LEU   63 - HN    LYS+  66   3.68 +/- 0.43  98.362% * 99.1366% (0.99   2.63   7.48) =  99.993%  kept
          HB2   HIS   22 - HN    LYS+  66  18.90 +/- 2.71   0.919% *  0.5225% (0.69   0.02   0.02) =   0.005%
          HA2   GLY  101 - HN    LYS+  66  21.55 +/- 4.16   0.719% *  0.3410% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.75, residual support = 25.1:
          HA    ALA   64 - HN    LYS+  66   4.23 +/- 0.37  58.324% * 76.6886% (0.95   4.58   8.50) =  84.709%  kept
          QE    LYS+  66 - HN    LYS+  66   5.17 +/- 0.64  35.585% * 22.6040% (0.22   5.73 117.24) =  15.234%  kept
          HB2   PHE   72 - HN    LYS+  66   9.90 +/- 1.47   5.424% *  0.5350% (0.22   0.14   0.25) =   0.055%
          HB3   ASN   35 - HN    LYS+  66  20.37 +/- 3.22   0.667% *  0.1724% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.91 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 = 0.722, support = 5.52, residual support = 98.3:
      O   QB    LYS+  66 - HN    LYS+  66   2.38 +/- 0.20  59.181% * 68.1011% (0.65  10.0   5.37 117.24) =  78.098%  kept
          QB    LYS+  65 - HN    LYS+  66   2.89 +/- 0.31  35.916% * 31.4612% (0.99   1.0   6.03  30.94) =  21.896%  kept
          HB    VAL   41 - HN    LYS+  66  13.13 +/- 3.60   2.277% *  0.0472% (0.45   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+  66  11.17 +/- 1.58   0.742% *  0.1032% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  66  11.78 +/- 4.21   1.022% *  0.0554% (0.53   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  15.85 +/- 2.83   0.426% *  0.0944% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    LYS+  66  19.63 +/- 3.75   0.148% *  0.1050% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  17.23 +/- 4.01   0.287% *  0.0325% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.599, support = 4.14, residual support = 53.2:
          HG    LEU   67 - HN    LYS+  66   4.98 +/- 0.94  24.707% * 74.4704% (0.87   3.66  14.78) =  61.879%  kept
          QG    LYS+  66 - HN    LYS+  66   3.07 +/- 0.74  61.926% * 18.0378% (0.15   4.98 117.24) =  37.567%  kept
          HB3   LEU   40 - HN    LYS+  66  11.23 +/- 2.06   2.468% *  4.2419% (0.80   0.23   0.02) =   0.352%  kept
          HG    LEU   40 - HN    LYS+  66  10.66 +/- 1.89   2.512% *  1.5864% (0.76   0.09   0.02) =   0.134%  kept
          HG    LEU  115 - HN    LYS+  66  12.80 +/- 2.23   1.220% *  0.4528% (0.97   0.02   0.02) =   0.019%
          QB    ALA  120 - HN    LYS+  66  12.75 +/- 2.16   1.198% *  0.4528% (0.97   0.02   0.02) =   0.018%
          HB3   LEU  115 - HN    LYS+  66  12.17 +/- 1.99   1.229% *  0.3586% (0.76   0.02   0.02) =   0.015%
          HB2   LYS+  74 - HN    LYS+  66   9.92 +/- 1.52   3.211% *  0.0928% (0.20   0.02   0.02) =   0.010%
          HG    LEU   73 - HN    LYS+  66  12.96 +/- 2.07   1.289% *  0.1304% (0.28   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    LYS+  66  22.59 +/- 4.33   0.240% *  0.1761% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.09 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.74, residual support = 8.5:
          QB    ALA   64 - HN    LYS+  66   4.61 +/- 0.31 100.000% *100.0000% (0.95   3.74   8.50) = 100.000%  kept
    Distance limit 4.54 A violated in 0 structures by 0.14 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 158.6:
      O   HA    LYS+  65 - HN    LYS+  65   2.80 +/- 0.05  92.976% * 99.3218% (0.64  10.0   6.09 158.63) =  99.995%  kept
          HA2   GLY   16 - HN    LYS+  65  12.93 +/- 4.17   1.736% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  65  14.43 +/- 1.53   0.750% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LYS+  65  14.92 +/- 2.12   0.748% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LYS+  65  17.02 +/- 2.94   0.612% *  0.0822% (0.53   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  15.35 +/- 1.64   0.657% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  17.90 +/- 2.49   0.441% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.72 +/- 1.61   0.813% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  21.92 +/- 1.53   0.204% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  17.57 +/- 1.66   0.414% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.27 +/- 3.47   0.459% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  23.09 +/- 2.47   0.190% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 4.86, residual support = 29.2:
      O   HA    ALA   64 - HN    LYS+  65   3.54 +/- 0.06  79.034% * 95.1995% (0.65  10.0   4.87  29.19) =  99.246%  kept
          QE    LYS+  66 - HN    LYS+  65   7.10 +/- 0.97  12.044% *  4.7291% (0.15   1.0   4.22  30.94) =   0.751%  kept
          HB2   PHE   72 - HN    LYS+  65   8.56 +/- 1.47   8.234% *  0.0224% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  19.83 +/- 3.32   0.688% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 6.65, residual support = 154.9:
      O   QB    LYS+  65 - HN    LYS+  65   2.14 +/- 0.19  83.849% * 77.5758% (0.53  10.0   6.71 158.63) =  97.091%  kept
          QB    LYS+  66 - HN    LYS+  65   4.69 +/- 0.31   8.872% * 21.9161% (0.65   1.0   4.56  30.94) =   2.902%  kept
          HB    VAL   41 - HN    LYS+  65  12.42 +/- 3.31   1.982% *  0.0813% (0.55   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+  65  10.63 +/- 2.18   1.617% *  0.0737% (0.50   1.0   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LYS+  65  14.92 +/- 3.15   1.044% *  0.1006% (0.68   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LYS+  65  11.12 +/- 3.95   1.628% *  0.0226% (0.15   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LYS+  65  16.85 +/- 3.04   0.264% *  0.0657% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  15.09 +/- 2.66   0.449% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.44 +/- 3.00   0.162% *  0.0881% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.03 +/- 1.48   0.133% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.185, support = 4.53, residual support = 125.2:
          HG2   LYS+  65 - HN    LYS+  65   3.78 +/- 0.51  50.853% * 57.0060% (0.14   5.39 158.63) =  78.854%  kept
          HG    LEU   67 - HN    LYS+  65   6.01 +/- 1.22  19.911% * 38.0713% (0.36   1.35   0.41) =  20.620%  kept
          HB3   LEU   40 - HN    LYS+  65  11.25 +/- 2.32   6.874% *  1.0672% (0.69   0.02   0.02) =   0.200%  kept
          HB2   LYS+  74 - HN    LYS+  65   8.36 +/- 1.54   7.675% *  0.5206% (0.34   0.02   0.02) =   0.109%  kept
          HG    LEU   40 - HN    LYS+  65  10.64 +/- 1.98   5.867% *  0.4397% (0.28   0.02   0.02) =   0.070%
          HG    LEU  115 - HN    LYS+  65  12.28 +/- 2.02   2.466% *  1.0118% (0.65   0.02   0.02) =   0.068%
          QB    ALA  120 - HN    LYS+  65  13.19 +/- 1.26   1.334% *  1.0118% (0.65   0.02   0.02) =   0.037%
          HB3   LEU  115 - HN    LYS+  65  11.70 +/- 1.56   2.140% *  0.4397% (0.28   0.02   0.02) =   0.026%
          QG2   THR   26 - HN    LYS+  65  13.36 +/- 1.62   1.560% *  0.2667% (0.17   0.02   0.02) =   0.011%
          HD2   LYS+ 121 - HN    LYS+  65  14.37 +/- 2.46   1.320% *  0.1650% (0.11   0.02   0.02) =   0.006%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.284, support = 4.17, residual support = 105.5:
          HG3   LYS+  65 - HN    LYS+  65   3.46 +/- 0.79  48.997% * 43.3869% (0.17   5.25 158.63) =  65.859%  kept
          HB2   LEU   63 - HN    LYS+  65   4.92 +/- 0.49  21.373% * 51.0431% (0.50   2.12   3.17) =  33.798%  kept
          HB3   ASP-  44 - HN    LYS+  65   8.44 +/- 2.03   7.160% *  0.5538% (0.58   0.02   0.02) =   0.123%  kept
          HB3   PRO   93 - HN    LYS+  65  13.34 +/- 2.30   2.781% *  0.6572% (0.68   0.02   0.02) =   0.057%
          HB    VAL   42 - HN    LYS+  65   9.11 +/- 2.23   9.045% *  0.1653% (0.17   0.02   0.02) =   0.046%
          HG    LEU   98 - HN    LYS+  65  15.40 +/- 3.68   1.880% *  0.6572% (0.68   0.02   0.02) =   0.038%
          HB3   LEU   73 - HN    LYS+  65  10.73 +/- 1.55   2.887% *  0.2046% (0.21   0.02   0.02) =   0.018%
          QB    ALA  124 - HN    LYS+  65  15.35 +/- 1.70   0.651% *  0.6272% (0.65   0.02   0.02) =   0.013%
          QB    ALA   84 - HN    LYS+  65  16.78 +/- 1.54   0.588% *  0.6616% (0.69   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    LYS+  65  17.15 +/- 3.54   0.920% *  0.2973% (0.31   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - HN    LYS+  65  17.87 +/- 2.95   0.609% *  0.3488% (0.36   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HN    LYS+  65  15.88 +/- 2.28   0.754% *  0.2726% (0.28   0.02   0.02) =   0.006%
          HB3   LEU   80 - HN    LYS+  65  18.71 +/- 2.60   0.408% *  0.4021% (0.42   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LYS+  65  16.32 +/- 2.74   0.731% *  0.1312% (0.14   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HN    LYS+  65  19.89 +/- 2.09   0.328% *  0.2488% (0.26   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    LYS+  65  17.78 +/- 4.05   0.659% *  0.1161% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+  65  22.74 +/- 3.24   0.229% *  0.2262% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.13 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 = 4.86, residual support = 29.2:
          QB    ALA   64 - HN    LYS+  65   2.85 +/- 0.31 100.000% *100.0000% (0.65   4.86  29.19) = 100.000%  kept
    Distance limit 3.45 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 = 0.746, residual support = 6.13:
          HA    ALA   61 - HN    ALA   64   3.71 +/- 0.35  76.927% * 95.1123% (0.95   0.75   6.17) =  99.436%  kept
          HD2   PRO   68 - HN    ALA   64   7.83 +/- 1.23  13.425% *  2.1470% (0.80   0.02   0.02) =   0.392%  kept
          HD3   PRO   58 - HN    ALA   64  10.36 +/- 0.90   4.044% *  1.7345% (0.65   0.02   0.02) =   0.095%
          HA    VAL   75 - HN    ALA   64   9.90 +/- 1.48   5.604% *  1.0063% (0.38   0.02   0.02) =   0.077%
    Distance limit 4.28 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 = 0.945, support = 4.22, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.80 +/- 0.07  85.148% * 99.0515% (0.95  10.0   4.22  20.66) =  99.889%  kept
          HB2   PHE   72 - HN    ALA   64   7.11 +/- 1.32  10.569% *  0.8742% (0.22   1.0   0.75  47.11) =   0.109%  kept
          QE    LYS+  66 - HN    ALA   64   8.31 +/- 1.00   3.958% *  0.0233% (0.22   1.0   0.02   8.50) =   0.001%
          HB3   ASN   35 - HN    ALA   64  19.09 +/- 2.45   0.325% *  0.0510% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.871, support = 5.08, residual support = 27.4:
          QB    LYS+  65 - HN    ALA   64   4.36 +/- 0.28  49.102% * 83.3215% (0.92   5.32  29.19) =  91.197%  kept
          QB    LYS+  66 - HN    ALA   64   5.60 +/- 0.74  25.319% * 15.3911% (0.34   2.66   8.50) =   8.686%  kept
          HB2   LEU   71 - HN    ALA   64  10.00 +/- 1.55   6.691% *  0.3210% (0.95   0.02   0.02) =   0.048%
          HB3   GLN   17 - HN    ALA   64  11.59 +/- 3.30   4.481% *  0.2834% (0.84   0.02   1.01) =   0.028%
          HG2   PRO   93 - HN    ALA   64  13.54 +/- 2.71   5.025% *  0.2058% (0.61   0.02   0.02) =   0.023%
          HB    VAL   41 - HN    ALA   64  11.07 +/- 2.39   6.702% *  0.0671% (0.20   0.02   0.02) =   0.010%
          QB    LYS+ 102 - HN    ALA   64  18.28 +/- 2.51   0.801% *  0.2834% (0.84   0.02   0.02) =   0.005%
          HB2   LYS+  99 - HN    ALA   64  15.51 +/- 2.86   1.330% *  0.0671% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  19.97 +/- 1.76   0.550% *  0.0594% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.709, support = 7.45, residual support = 54.0:
          HB2   LEU   63 - HN    ALA   64   3.00 +/- 0.48  55.941% * 82.5934% (0.73   7.59  54.97) =  96.390%  kept
          HG3   LYS+  65 - HN    ALA   64   5.71 +/- 1.08  11.254% * 14.8879% (0.25   3.98  29.19) =   3.495%  kept
          HB3   ASP-  44 - HN    ALA   64   6.76 +/- 1.99  10.633% *  0.2504% (0.84   0.02   0.02) =   0.056%
          HB    VAL   42 - HN    ALA   64   7.39 +/- 1.69   8.853% *  0.0748% (0.25   0.02   0.02) =   0.014%
          HB3   PRO   93 - HN    ALA   64  11.79 +/- 2.13   1.630% *  0.2972% (0.99   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    ALA   64   9.48 +/- 1.53   4.724% *  0.0925% (0.31   0.02   3.87) =   0.009%
          HG    LEU   98 - HN    ALA   64  14.07 +/- 3.08   1.230% *  0.2972% (0.99   0.02   0.02) =   0.008%
          HB2   LEU   31 - HN    ALA   64  16.05 +/- 3.06   1.201% *  0.1344% (0.45   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ALA   64  15.31 +/- 1.56   0.569% *  0.2836% (0.95   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    ALA   64  15.94 +/- 1.36   0.497% *  0.2991% (1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    ALA   64  14.59 +/- 2.30   0.944% *  0.1233% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   64  16.08 +/- 2.48   0.610% *  0.1577% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   64  17.86 +/- 2.98   0.392% *  0.1818% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   64  18.31 +/- 1.90   0.300% *  0.1125% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  15.73 +/- 1.96   0.524% *  0.0593% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  16.80 +/- 3.18   0.497% *  0.0525% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  21.45 +/- 2.60   0.199% *  0.1023% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.75, residual support = 54.9:
          HG    LEU   63 - HN    ALA   64   4.15 +/- 0.99  71.843% * 98.5853% (0.53   6.76  54.97) =  99.918%  kept
          HG3   LYS+ 112 - HN    ALA   64  14.72 +/- 2.72   2.932% *  0.5119% (0.92   0.02   0.02) =   0.021%
          QD1   ILE  119 - HN    ALA   64   8.14 +/- 0.95  13.540% *  0.1097% (0.20   0.02   0.02) =   0.021%
          QG2   VAL   24 - HN    ALA   64  14.44 +/- 2.89   7.090% *  0.2081% (0.38   0.02   0.02) =   0.021%
          QG2   VAL  108 - HN    ALA   64  14.25 +/- 1.48   2.363% *  0.3363% (0.61   0.02   0.02) =   0.011%
          HB2   LEU  104 - HN    ALA   64  15.23 +/- 2.36   2.231% *  0.2486% (0.45   0.02   0.02) =   0.008%
    Distance limit 4.68 A violated in 0 structures by 0.10 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.76, residual support = 54.9:
          HB3   LEU   63 - HN    ALA   64   3.30 +/- 0.72  51.268% * 99.3361% (0.97   6.77  54.97) =  99.876%  kept
          QG1   VAL   70 - HN    ALA   64   5.81 +/- 1.51  23.715% *  0.1250% (0.41   0.02   0.02) =   0.058%
          QG1   VAL   18 - HN    ALA   64   6.95 +/- 4.52  16.589% *  0.1600% (0.53   0.02   8.55) =   0.052%
          QD1   LEU   71 - HN    ALA   64   9.57 +/- 1.54   5.544% *  0.0677% (0.22   0.02   0.02) =   0.007%
          QG1   VAL  108 - HN    ALA   64  15.26 +/- 1.69   0.718% *  0.2435% (0.80   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    ALA   64  11.14 +/- 1.79   2.165% *  0.0677% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.841, support = 6.18, residual support = 54.9:
          QD2   LEU   63 - HN    ALA   64   3.78 +/- 0.98  41.098% * 60.6037% (1.00   5.89  54.97) =  63.455%  kept
          QD1   LEU   63 - HN    ALA   64   4.02 +/- 0.69  36.832% * 38.8890% (0.57   6.68  54.97) =  36.493%  kept
          QG2   VAL   41 - HN    ALA   64   9.60 +/- 1.73   7.029% *  0.1247% (0.61   0.02   0.02) =   0.022%
          QD1   LEU   73 - HN    ALA   64   9.20 +/- 1.58   4.318% *  0.1164% (0.57   0.02   3.87) =   0.013%
          QD2   LEU  115 - HN    ALA   64   8.40 +/- 1.45   5.529% *  0.0513% (0.25   0.02   0.02) =   0.007%
          QD2   LEU   98 - HN    ALA   64  11.94 +/- 2.62   2.232% *  0.0845% (0.41   0.02   0.02) =   0.005%
          QD1   LEU   80 - HN    ALA   64  15.37 +/- 3.22   1.395% *  0.0845% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   64  14.36 +/- 2.74   1.568% *  0.0458% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.24 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   2.05 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.10 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 = 5.23, residual support = 42.3:
      O   HA    ASP-  62 - HN    LEU   63   3.57 +/- 0.07  96.153% * 99.8321% (0.97  10.0   5.23  42.32) =  99.998%  kept
          HB    THR   26 - HN    LEU   63  18.20 +/- 2.86   1.192% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    LEU   63  13.14 +/- 1.41   2.285% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  23.57 +/- 2.42   0.370% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 10.2:
          HA    PHE   60 - HN    LEU   63   3.73 +/- 0.44  84.194% * 92.4872% (0.69   1.50  10.24) =  99.742%  kept
          QB    SER  117 - HN    LEU   63  12.20 +/- 1.25   3.870% *  1.7794% (0.99   0.02   0.02) =   0.088%
          HA    LYS+ 121 - HN    LEU   63  13.43 +/- 1.61   2.711% *  1.3720% (0.76   0.02   0.02) =   0.048%
          HB    THR   94 - HN    LEU   63  13.26 +/- 2.31   2.922% *  1.2332% (0.69   0.02   0.02) =   0.046%
          HA2   GLY   51 - HN    LEU   63  16.18 +/- 2.16   1.581% *  1.4995% (0.84   0.02   0.02) =   0.030%
          HA    ALA  120 - HN    LEU   63  12.17 +/- 1.28   3.013% *  0.6124% (0.34   0.02   0.02) =   0.024%
          QB    SER   48 - HN    LEU   63  16.51 +/- 2.80   1.709% *  1.0164% (0.57   0.02   0.02) =   0.022%
    Distance limit 4.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.6:
      O   HA    LEU   63 - HN    LEU   63   2.79 +/- 0.06  98.956% * 99.8508% (0.76  10.0   7.54 242.58) =  99.999%  kept
          HB2   HIS   22 - HN    LEU   63  18.08 +/- 3.51   0.799% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LEU   63  21.68 +/- 3.25   0.246% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.23, residual support = 42.3:
          HB2   ASP-  62 - HN    LEU   63   3.25 +/- 0.42  97.324% * 99.7487% (0.98   5.23  42.32) =  99.997%  kept
          HB2   PRO   52 - HN    LEU   63  15.83 +/- 1.87   1.162% *  0.1743% (0.45   0.02   0.02) =   0.002%
          QB    ASP- 113 - HN    LEU   63  13.88 +/- 1.39   1.513% *  0.0770% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HB3   ASP-  62 - HN    LEU   63   3.29 +/- 0.69  96.673% * 98.9502% (0.95   5.23  42.32) =  99.989%  kept
          HG3   MET   96 - HN    LEU   63  14.66 +/- 2.45   1.915% *  0.3690% (0.92   0.02   0.34) =   0.007%
          HB3   ASP-  86 - HN    LEU   63  22.24 +/- 3.10   0.505% *  0.2263% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  22.57 +/- 2.99   0.381% *  0.2902% (0.73   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    LEU   63  21.42 +/- 3.56   0.527% *  0.1643% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.09 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.725, support = 8.14, residual support = 242.2:
      O   HB2   LEU   63 - HN    LEU   63   2.25 +/- 0.36  78.024% * 97.1285% (0.73  10.0   8.15 242.58) =  99.852%  kept
          HG3   LYS+  65 - HN    LEU   63   6.25 +/- 1.17   5.617% *  1.7478% (0.25   1.0   1.05   3.17) =   0.129%  kept
          HB3   ASP-  44 - HN    LEU   63   7.24 +/- 2.49   6.431% *  0.1117% (0.84   1.0   0.02   0.02) =   0.009%
          HB3   PRO   93 - HN    LEU   63  10.98 +/- 2.25   2.118% *  0.1326% (0.99   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    LEU   63   8.51 +/- 2.02   2.910% *  0.0334% (0.25   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  14.44 +/- 1.33   0.443% *  0.1265% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   63  15.46 +/- 3.53   0.418% *  0.1326% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  11.63 +/- 2.01   1.121% *  0.0413% (0.31   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   63  12.81 +/- 2.08   0.802% *  0.0550% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LEU   63  18.12 +/- 3.69   0.583% *  0.0600% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  16.48 +/- 1.88   0.238% *  0.1335% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  16.32 +/- 3.11   0.306% *  0.0704% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  19.03 +/- 3.31   0.172% *  0.0811% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.93 +/- 1.95   0.245% *  0.0502% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  17.92 +/- 2.42   0.238% *  0.0265% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.07 +/- 3.63   0.238% *  0.0234% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.59 +/- 3.06   0.094% *  0.0456% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 7.61, residual support = 242.5:
          HG    LEU   63 - HN    LEU   63   3.30 +/- 0.76  82.940% * 99.5070% (1.00   7.61 242.58) =  99.959%  kept
          QG2   VAL   24 - HN    LEU   63  15.89 +/- 3.64  10.590% *  0.2569% (0.98   0.02   0.02) =   0.033%
          HG3   LYS+ 112 - HN    LEU   63  13.07 +/- 2.44   2.306% *  0.1903% (0.73   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    LEU   63  10.29 +/- 1.60   4.164% *  0.0459% (0.18   0.02   0.14) =   0.002%
    Distance limit 3.33 A violated in 0 structures by 0.29 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 242.5:
      O   HB3   LEU   63 - HN    LEU   63   3.28 +/- 0.25  69.565% * 99.7743% (0.97  10.0   7.61 242.58) =  99.982%  kept
          QG1   VAL   70 - HN    LEU   63   7.14 +/- 1.65  13.098% *  0.0425% (0.41   1.0   0.02   0.02) =   0.008%
          QG1   VAL   18 - HN    LEU   63   8.62 +/- 3.70   8.332% *  0.0544% (0.53   1.0   0.02   0.02) =   0.007%
          QD1   LEU   71 - HN    LEU   63  11.30 +/- 2.01   4.555% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   63   9.89 +/- 1.82   3.568% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  14.73 +/- 1.93   0.881% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 7.27, residual support = 242.3:
          QD1   LEU   63 - HN    LEU   63   3.59 +/- 0.71  41.138% * 49.9872% (0.90   7.13 242.58) =  51.459%  kept
          QD2   LEU   63 - HN    LEU   63   3.60 +/- 0.73  39.807% * 48.5988% (0.84   7.44 242.58) =  48.411%  kept
          QD1   LEU   73 - HN    LEU   63  10.96 +/- 2.09   3.869% *  1.1033% (0.90   0.16   0.02) =   0.107%  kept
          QD2   LEU  115 - HN    LEU   63   6.93 +/- 1.22   6.263% *  0.0885% (0.57   0.02   0.02) =   0.014%
          QG2   VAL   41 - HN    LEU   63  11.14 +/- 2.09   4.659% *  0.0435% (0.28   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    LEU   63  15.52 +/- 3.07   1.157% *  0.0822% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   63  13.78 +/- 2.57   0.843% *  0.0482% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  13.18 +/- 2.90   1.262% *  0.0241% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  16.41 +/- 3.53   1.002% *  0.0241% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.62 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   2.46 +/- 0.46  98.592% * 99.9341% (0.84  10.0   3.83  40.99) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.86 +/- 1.48   0.678% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  13.86 +/- 1.45   0.730% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 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   2.88 +/- 0.48  97.850% * 99.7231% (0.82  10.0   3.83  40.99) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  16.13 +/- 2.15   1.262% *  0.0973% (0.80   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  62  24.06 +/- 3.77   0.290% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  22.98 +/- 2.48   0.269% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  22.47 +/- 3.88   0.328% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.335, support = 0.839, residual support = 0.79:
          QB    LYS+  66 - HN    ASP-  62   6.51 +/- 1.35  34.603% * 70.4353% (0.32   0.89   0.83) =  94.520%  kept
          HB    VAL   41 - HN    ASP-  62  14.51 +/- 3.23  10.872% *  2.3964% (0.49   0.02   0.02) =   1.010%  kept
          HG    LEU  123 - HN    ASP-  62  13.47 +/- 2.08   5.167% *  4.0041% (0.82   0.02   0.02) =   0.802%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.86 +/- 2.23   8.055% *  2.3964% (0.49   0.02   0.02) =   0.749%  kept
          HG3   PRO   68 - HN    ASP-  62  12.01 +/- 1.79   6.527% *  2.7382% (0.56   0.02   0.02) =   0.693%  kept
          HB3   PRO   52 - HN    ASP-  62  15.59 +/- 1.17   2.717% *  4.0041% (0.82   0.02   0.02) =   0.422%  kept
          HG2   PRO   93 - HN    ASP-  62  12.34 +/- 3.25  12.773% *  0.7413% (0.15   0.02   0.02) =   0.367%  kept
          HB3   ASP- 105 - HN    ASP-  62  16.43 +/- 2.74   4.136% *  2.2270% (0.45   0.02   0.02) =   0.357%  kept
          HG12  ILE  103 - HN    ASP-  62  17.89 +/- 2.74   2.714% *  3.0736% (0.63   0.02   0.02) =   0.324%  kept
          QB    LYS+  33 - HN    ASP-  62  18.43 +/- 3.09   4.659% *  1.7402% (0.35   0.02   0.02) =   0.314%  kept
          HB    ILE  103 - HN    ASP-  62  20.24 +/- 2.66   1.703% *  2.5673% (0.52   0.02   0.02) =   0.170%  kept
          QB    LYS+ 106 - HN    ASP-  62  15.86 +/- 2.09   3.390% *  1.0555% (0.21   0.02   0.02) =   0.139%  kept
          QB    LYS+  81 - HN    ASP-  62  19.68 +/- 2.65   1.648% *  1.1769% (0.24   0.02   0.02) =   0.075%
          HB3   GLN   90 - HN    ASP-  62  21.46 +/- 2.93   1.036% *  1.4438% (0.29   0.02   0.02) =   0.058%
    Distance limit 4.37 A violated in 9 structures by 1.61 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.789, support = 2.74, residual support = 7.97:
          QB    ALA   61 - HN    ASP-  62   2.76 +/- 0.25  75.186% * 77.3823% (0.80   2.79   8.14) =  97.689%  kept
          QG    LYS+  66 - HN    ASP-  62   6.90 +/- 1.73   8.791% * 13.6762% (0.52   0.75   0.83) =   2.019%  kept
          HB3   LEU   67 - HN    ASP-  62   9.23 +/- 1.40   2.286% *  5.5395% (0.69   0.23   0.02) =   0.213%  kept
          HB3   LYS+  74 - HN    ASP-  62  10.28 +/- 2.98   7.275% *  0.2927% (0.42   0.02   0.02) =   0.036%
          QB    ALA  110 - HN    ASP-  62  13.66 +/- 2.56   1.224% *  0.6013% (0.86   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    ASP-  62  13.93 +/- 2.81   1.226% *  0.5960% (0.85   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    ASP-  62  13.26 +/- 2.73   1.427% *  0.2472% (0.35   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ASP-  62  14.44 +/- 2.32   1.052% *  0.3164% (0.45   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    ASP-  62  19.72 +/- 3.74   0.317% *  0.6000% (0.86   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  19.00 +/- 2.95   0.297% *  0.4130% (0.59   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP-  62  15.54 +/- 2.39   0.740% *  0.1499% (0.21   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  23.92 +/- 3.28   0.178% *  0.1856% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 0.835, support = 2.35, residual support = 4.88:
          QB    LYS+  65 - HN    LEU   63   4.55 +/- 0.54  43.604% * 48.5348% (0.76   2.60   3.17) =  59.266%  kept
          QB    LYS+  66 - HN    LEU   63   5.32 +/- 1.01  30.733% * 46.5916% (0.95   2.02   7.48) =  40.099%  kept
          HB2   LEU   71 - HN    LEU   63  12.15 +/- 2.01   5.655% *  2.7868% (0.73   0.16   0.02) =   0.441%  kept
          HB    VAL   41 - HN    LEU   63  12.77 +/- 2.79   8.297% *  0.3905% (0.80   0.02   0.02) =   0.091%
          HG2   PRO   93 - HN    LEU   63  12.48 +/- 2.74   4.421% *  0.4833% (0.99   0.02   0.02) =   0.060%
          HG12  ILE  103 - HN    LEU   63  16.28 +/- 3.04   1.382% *  0.3155% (0.65   0.02   0.02) =   0.012%
          HG    LEU  123 - HN    LEU   63  13.11 +/- 1.84   2.088% *  0.1830% (0.38   0.02   0.02) =   0.011%
          QB    LYS+ 102 - HN    LEU   63  19.30 +/- 2.80   0.693% *  0.4230% (0.87   0.02   0.02) =   0.008%
          HB3   GLN   17 - HN    LEU   63  13.34 +/- 2.70   2.183% *  0.1086% (0.22   0.02   0.02) =   0.007%
          HB3   PRO   52 - HN    LEU   63  16.56 +/- 1.54   0.945% *  0.1830% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.0, residual support = 41.5:
      O   HA    PHE   60 - HN    ALA   61   3.62 +/- 0.03  87.472% * 99.3945% (0.69  10.0   5.00  41.55) =  99.985%  kept
          QB    SER  117 - HN    ALA   61  12.90 +/- 1.04   2.097% *  0.1434% (0.99   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    ALA   61  13.22 +/- 1.72   2.352% *  0.1209% (0.84   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ALA   61  12.69 +/- 2.66   2.807% *  0.0994% (0.69   1.0   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ALA   61  14.48 +/- 2.82   2.466% *  0.0819% (0.57   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    ALA   61  15.56 +/- 1.11   1.206% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.88 +/- 0.74   1.600% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 2.75, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.81 +/- 0.07  86.739% * 94.5047% (0.95  10.0   2.75  17.90) =  99.322%  kept
          HD3   PRO   58 - HN    ALA   61   5.88 +/- 0.59  10.368% *  5.3778% (0.65   1.0   1.66   0.88) =   0.676%  kept
          HD2   PRO   68 - HN    ALA   61  12.18 +/- 1.47   1.236% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA   61  11.30 +/- 1.75   1.657% *  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 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.86, residual support = 41.4:
          HB2   PHE   60 - HN    ALA   61   3.22 +/- 0.51  85.426% * 97.1653% (0.84   4.88  41.55) =  99.593%  kept
          HB    THR   46 - HN    ALA   61   8.90 +/- 3.22  14.003% *  2.4072% (0.20   0.51   0.02) =   0.404%  kept
          HB2   TRP   87 - HN    ALA   61  19.08 +/- 3.17   0.571% *  0.4276% (0.90   0.02   0.02) =   0.003%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 41.6:
          HB3   PHE   60 - HN    ALA   61   2.99 +/- 0.77  94.577% * 99.1927% (0.98   5.00  41.55) =  99.989%  kept
          HB3   TRP   27 - HN    ALA   61  15.07 +/- 2.98   2.568% *  0.1519% (0.38   0.02   0.02) =   0.004%
          QE    LYS+ 106 - HN    ALA   61  17.22 +/- 2.07   0.976% *  0.3510% (0.87   0.02   0.02) =   0.004%
          HB2   PHE   97 - HN    ALA   61  15.11 +/- 2.28   1.412% *  0.1664% (0.41   0.02   0.02) =   0.003%
          HB2   ASN   35 - HN    ALA   61  23.30 +/- 3.18   0.466% *  0.1380% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 4.0, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.05 +/- 0.09  91.375% * 99.0576% (0.73  10.0   4.00  17.90) =  99.991%  kept
          QG    LYS+  66 - HN    ALA   61   8.76 +/- 1.50   1.694% *  0.1337% (0.98   1.0   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    ALA   61   8.71 +/- 1.43   2.046% *  0.0827% (0.61   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA   61  12.40 +/- 2.88   1.049% *  0.1352% (0.99   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   61  10.24 +/- 1.60   0.897% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  12.73 +/- 3.18   0.993% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.55 +/- 1.64   0.851% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  13.50 +/- 2.08   0.427% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.95 +/- 2.87   0.428% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.54 +/- 3.74   0.173% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.81 +/- 2.46   0.066% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 39.8:
          HD3   PRO   58 - HN    PHE   59   2.76 +/- 0.63  90.282% * 95.4045% (0.76   6.10  39.92) =  99.634%  kept
          HA    ALA   61 - HN    PHE   59   7.14 +/- 0.38   7.395% *  4.2242% (0.26   0.78   0.58) =   0.361%  kept
          HA    VAL   75 - HN    PHE   59  14.60 +/- 2.08   1.127% *  0.3082% (0.74   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    PHE   59  13.70 +/- 2.08   1.197% *  0.0632% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 4.36, residual support = 58.4:
      O   HB2   PHE   59 - HN    PHE   59   2.41 +/- 0.38  88.381% * 99.5977% (0.76  10.0   4.36  58.44) =  99.990%  kept
          QB    PHE   55 - HN    PHE   59   7.63 +/- 0.58   3.386% *  0.0951% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   CYS   53 - HN    PHE   59   9.31 +/- 1.48   3.695% *  0.0690% (0.53   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    PHE   59  10.60 +/- 2.14   2.336% *  0.0609% (0.47   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    PHE   59  12.29 +/- 2.70   1.434% *  0.0872% (0.67   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  13.32 +/- 2.15   0.767% *  0.0901% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 58.4:
      O   HB3   PHE   59 - HN    PHE   59   2.40 +/- 0.34  97.738% * 99.9594% (0.67  10.0   4.97  58.44) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59  10.62 +/- 2.09   1.887% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  16.92 +/- 2.04   0.375% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.194, support = 6.55, residual support = 39.8:
      O   HB2   PRO   58 - HN    PHE   59   3.48 +/- 0.66  80.089% * 96.9188% (0.19  10.0   6.58  39.92) =  99.603%  kept
          HB2   GLN  116 - HN    PHE   59   8.19 +/- 1.33  15.114% *  1.9550% (0.64   1.0   0.12   0.53) =   0.379%  kept
          QG    GLU-  79 - HN    PHE   59  17.59 +/- 3.32   2.361% *  0.3112% (0.62   1.0   0.02   0.02) =   0.009%
          HB3   PHE   97 - HN    PHE   59  15.00 +/- 2.73   1.706% *  0.2670% (0.53   1.0   0.02   0.02) =   0.006%
          HB2   GLU- 100 - HN    PHE   59  24.40 +/- 2.62   0.306% *  0.3588% (0.71   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   59  23.53 +/- 3.28   0.424% *  0.1892% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.29, residual support = 39.9:
          HG2   PRO   58 - HN    PHE   59   2.90 +/- 0.48  88.889% * 98.7273% (0.76   6.30  39.92) =  99.984%  kept
          HB2   PRO   93 - HN    PHE   59   9.62 +/- 2.26   4.336% *  0.1315% (0.32   0.02   0.02) =   0.006%
          HG3   PRO   52 - HN    PHE   59  13.76 +/- 1.10   1.157% *  0.3136% (0.76   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    PHE   59   9.75 +/- 1.27   3.480% *  0.0560% (0.14   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    PHE   59  21.66 +/- 3.28   0.311% *  0.3192% (0.77   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    PHE   59  27.96 +/- 5.39   0.188% *  0.3200% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  16.45 +/- 1.93   0.589% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  15.71 +/- 2.39   1.049% *  0.0433% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 0.684, support = 6.22, residual support = 39.6:
      O   HB3   PRO   58 - HN    PHE   59   3.97 +/- 0.24  52.798% * 97.6194% (0.69  10.0   6.30  39.92) =  98.348%  kept
          HB    ILE   56 - HN    PHE   59   4.76 +/- 1.55  42.399% *  2.0356% (0.19   1.0   1.50  20.24) =   1.647%  kept
          HB2   MET   92 - HN    PHE   59  15.30 +/- 2.75   2.001% *  0.0790% (0.56   1.0   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    PHE   59  19.41 +/- 3.31   0.736% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    PHE   59  14.84 +/- 1.57   1.086% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  21.94 +/- 3.63   0.405% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  28.32 +/- 5.74   0.261% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.43 +/- 3.14   0.313% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.06 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   3.50 +/- 0.77  84.291% * 97.7311% (0.67   4.26  20.24) =  99.951%  kept
          HB2   LEU   73 - HN    PHE   59  14.88 +/- 3.66   3.756% *  0.3207% (0.47   0.02   0.02) =   0.015%
          HB3   MET   92 - HN    PHE   59  14.08 +/- 2.67   3.143% *  0.2370% (0.35   0.02   0.02) =   0.009%
          QD    LYS+ 106 - HN    PHE   59  16.08 +/- 2.35   1.364% *  0.4233% (0.62   0.02   0.02) =   0.007%
          HD2   LYS+ 111 - HN    PHE   59  13.83 +/- 2.61   3.020% *  0.1803% (0.26   0.02   0.02) =   0.007%
          QD    LYS+  99 - HN    PHE   59  18.42 +/- 2.91   0.836% *  0.4416% (0.64   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    PHE   59  20.39 +/- 2.86   0.612% *  0.4040% (0.59   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    PHE   59  13.12 +/- 1.82   2.142% *  0.0816% (0.12   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    PHE   59  19.07 +/- 2.25   0.835% *  0.1803% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 0.703:
          HA    ALA   61 - HN    ALA   57   8.25 +/- 0.90  74.863% * 14.7090% (0.34   0.02   1.15) =  60.244%  kept
          HA    VAL   24 - HN    ALA   57  20.38 +/- 4.40   8.539% * 41.6148% (0.97   0.02   0.02) =  19.442%  kept
          HD2   PRO   68 - HN    ALA   57  16.20 +/- 2.10  13.521% * 22.6869% (0.53   0.02   0.02) =  16.782%  kept
          HA    LYS+  38 - HN    ALA   57  24.84 +/- 3.24   3.076% * 20.9893% (0.49   0.02   0.02) =   3.533%  kept
    Distance limit 3.58 A violated in 20 structures by 4.61 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.398, support = 0.175, residual support = 0.454:
          HD2   ARG+  54 - HN    ALA   57   7.89 +/- 2.00  32.731% * 85.0574% (0.41   0.20   0.52) =  87.068%  kept
          HB3   CYS   53 - HN    ALA   57   6.68 +/- 1.44  45.868% *  7.1374% (0.34   0.02   0.02) =  10.238%  kept
          HD3   PRO   93 - HN    ALA   57  10.66 +/- 3.30  16.169% *  4.1408% (0.20   0.02   0.02) =   2.094%  kept
          HD3   PRO   68 - HN    ALA   57  15.84 +/- 1.88   5.232% *  3.6644% (0.18   0.02   0.02) =   0.600%  kept
    Distance limit 4.56 A violated in 6 structures by 1.30 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 = 0.614, support = 4.7, residual support = 28.1:
          HB3   PRO   58 - HN    ALA   57   5.50 +/- 0.73  28.192% * 73.0638% (0.90   4.22  25.37) =  56.400%  kept
          HB    ILE   56 - HN    ALA   57   3.59 +/- 1.16  61.836% * 25.7111% (0.25   5.34  31.57) =  43.532%  kept
          HB2   MET   92 - HN    ALA   57  13.83 +/- 3.47   7.258% *  0.2807% (0.73   0.02   0.02) =   0.056%
          HB3   GLU-  14 - HN    ALA   57  23.56 +/- 4.61   0.626% *  0.2034% (0.53   0.02   0.02) =   0.003%
          HB3   MET   96 - HN    ALA   57  15.53 +/- 1.60   1.123% *  0.0964% (0.25   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    ALA   57  20.77 +/- 3.61   0.477% *  0.2188% (0.57   0.02   0.02) =   0.003%
          HG3   MET   11 - HN    ALA   57  29.77 +/- 6.48   0.242% *  0.2807% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    ALA   57  25.79 +/- 3.20   0.246% *  0.1451% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.27 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 = 4.85, residual support = 24.2:
      O   QB    ALA   57 - HN    ALA   57   2.75 +/- 0.45  91.925% * 99.4737% (0.92  10.0   4.85  24.16) =  99.993%  kept
          HD2   LYS+  74 - HN    ALA   57  12.72 +/- 2.77   2.694% *  0.1068% (0.99   1.0   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HN    ALA   57  14.18 +/- 3.26   1.291% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    ALA   57  11.27 +/- 1.65   1.666% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  14.67 +/- 1.44   0.893% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  17.01 +/- 1.88   0.589% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  21.68 +/- 3.30   0.333% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.41 +/- 2.94   0.426% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.79 +/- 2.89   0.181% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.05 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 31.6:
          QG2   ILE   56 - HN    ALA   57   3.41 +/- 0.57  83.521% * 97.4556% (0.87   5.27  31.57) =  99.950%  kept
          HG2   LYS+  74 - HN    ALA   57  12.47 +/- 3.29   6.751% *  0.1910% (0.45   0.02   0.02) =   0.016%
          QB    ALA   91 - HN    ALA   57  13.26 +/- 2.59   2.812% *  0.4112% (0.97   0.02   0.02) =   0.014%
          HG    LEU   71 - HN    ALA   57  18.75 +/- 4.30   2.174% *  0.1752% (0.41   0.02   0.02) =   0.005%
          QG2   THR   39 - HN    ALA   57  18.07 +/- 2.18   0.733% *  0.4112% (0.97   0.02   0.02) =   0.004%
          HG13  ILE   19 - HN    ALA   57  19.07 +/- 3.91   0.931% *  0.2927% (0.69   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    ALA   57  18.53 +/- 4.71   1.825% *  0.1453% (0.34   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ALA   57  18.38 +/- 2.52   0.733% *  0.2927% (0.69   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HN    ALA   57  26.66 +/- 2.93   0.220% *  0.4177% (0.98   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    ALA   57  23.69 +/- 2.47   0.300% *  0.2074% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.62, residual support = 59.2:
      O   HB2   ASN   69 - HD21  ASN   69   3.11 +/- 0.54  92.779% * 99.6854% (0.36  10.0   3.62  59.18) =  99.991%  kept
          QE    LYS+  66 - HD21  ASN   69  10.69 +/- 1.71   5.058% *  0.1287% (0.47   1.0   0.02   0.02) =   0.007%
          HB3   ASN   35 - HD21  ASN   69  15.86 +/- 2.97   1.464% *  0.0811% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD21  ASN   69  20.32 +/- 2.01   0.438% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  23.87 +/- 2.30   0.260% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.308, support = 3.84, residual support = 22.9:
          QG1   VAL   70 - HD21  ASN   69   4.20 +/- 1.26  48.548% * 81.4063% (0.32   4.11  24.99) =  91.612%  kept
          QD1   LEU   71 - HD21  ASN   69   6.60 +/- 2.01  28.095% * 11.4111% (0.19   0.96   0.02) =   7.432%  kept
          QD1   LEU  123 - HD21  ASN   69  12.11 +/- 4.23   5.316% *  5.5482% (0.19   0.46   0.02) =   0.684%  kept
          HB3   LEU   63 - HD21  ASN   69  10.03 +/- 3.00  14.065% *  0.7003% (0.56   0.02   0.02) =   0.228%  kept
          QG1   VAL   18 - HD21  ASN   69  11.61 +/- 3.76   3.530% *  0.4811% (0.39   0.02   0.02) =   0.039%
          QG1   VAL  108 - HD21  ASN   69  19.78 +/- 2.65   0.446% *  0.4530% (0.36   0.02   0.02) =   0.005%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.431, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  12.50 +/- 5.29  17.552% * 19.7883% (0.53   0.02   0.02) =  28.372%  kept
          HA    LEU  123 - HD21  ASN   69  14.28 +/- 5.58  16.382% * 14.3693% (0.39   0.02   0.02) =  19.229%  kept
          HA    ASN   35 - HD21  ASN   69  13.64 +/- 2.89  12.975% * 17.4728% (0.47   0.02   0.02) =  18.519%  kept
          HA    ILE   56 - HD21  ASN   69  20.18 +/- 4.11   8.404% * 16.7505% (0.45   0.02   0.02) =  11.499%  kept
          HA    ASP- 113 - HD21  ASN   69  20.75 +/- 5.09   5.144% * 20.1881% (0.54   0.02   0.02) =   8.483%  kept
          HA    PHE   59 - HD21  ASN   69  14.51 +/- 2.85  10.085% *  8.6000% (0.23   0.02   0.02) =   7.085%  kept
          HA    LEU   40 - HD21  ASN   69   8.87 +/- 2.37  29.458% *  2.8311% (0.08   0.02   0.02) =   6.813%  kept
    Distance limit 4.90 A violated in 12 structures by 2.48 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 = 0.961, support = 4.06, residual support = 19.9:
          QB    PHE   55 - HN    ILE   56   2.94 +/- 0.38  65.641% * 60.6091% (0.97   4.33  21.41) =  91.881%  kept
          HD2   ARG+  54 - HN    ILE   56   6.62 +/- 0.77   8.620% * 19.9139% (0.92   1.49   0.02) =   3.965%  kept
          HB3   CYS   53 - HN    ILE   56   5.51 +/- 0.68  11.906% * 10.5078% (0.97   0.75   0.02) =   2.889%  kept
          HB2   PHE   59 - HN    ILE   56   7.06 +/- 0.82   6.415% *  8.3210% (0.76   0.75  20.24) =   1.233%  kept
          HD3   PRO   93 - HN    ILE   56   9.32 +/- 3.32   4.273% *  0.2897% (1.00   0.02   0.02) =   0.029%
          HD3   PRO   68 - HN    ILE   56  18.08 +/- 2.69   0.526% *  0.2878% (0.99   0.02   0.02) =   0.003%
          HB3   CYS   53 - HZ2   TRP   87  18.02 +/- 2.97   0.900% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  16.26 +/- 1.81   0.473% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.45 +/- 4.84   0.380% *  0.0125% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.81 +/- 2.94   0.354% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.67 +/- 3.36   0.269% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  21.38 +/- 2.88   0.243% *  0.0096% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 5.94, residual support = 123.0:
      O   HB    ILE   56 - HN    ILE   56   3.43 +/- 0.34  52.208% * 94.5183% (0.87  10.0   5.97 123.83) =  99.346%  kept
          HB3   PRO   58 - HN    ILE   56   7.82 +/- 1.03   5.125% *  4.3626% (0.80   1.0   1.00   0.02) =   0.450%  kept
          HG2   ARG+  54 - HN    ILE   56   5.33 +/- 0.80  17.928% *  0.5386% (0.18   1.0   0.56   0.02) =   0.194%  kept
          HB2   MET   92 - HN    ILE   56  12.55 +/- 3.42   2.595% *  0.1031% (0.95   1.0   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    ILE   56  22.25 +/- 3.39   0.285% *  0.1087% (1.00   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ILE   56  15.61 +/- 2.03   0.633% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ILE   56  19.32 +/- 4.10   0.554% *  0.0448% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  17.85 +/- 3.19   0.556% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.61 +/- 3.03   0.116% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  18.40 +/- 2.31   0.412% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  19.68 +/- 3.16   0.474% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  17.57 +/- 7.55   1.456% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  12.89 +/- 4.95   3.216% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.15 +/- 2.91   0.201% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  14.36 +/- 7.20   7.441% *  0.0007% (0.01   1.0   0.02   4.38) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.33 +/- 3.01   0.914% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.54 +/- 1.48   0.197% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.62 +/- 0.66   1.455% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  31.64 +/- 6.74   0.129% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  23.13 +/- 6.22   0.452% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.03 +/- 0.71   0.826% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  21.01 +/- 2.85   0.287% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  20.05 +/- 6.87   0.689% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  23.58 +/- 3.14   0.203% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  18.02 +/- 5.70   0.777% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  23.10 +/- 5.24   0.388% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.67 +/- 3.27   0.274% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  31.41 +/- 6.49   0.207% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.14 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.28, residual support = 123.7:
          QG1   ILE   56 - HN    ILE   56   3.58 +/- 0.78  61.305% * 97.3161% (0.87   5.28 123.83) =  99.902%  kept
          HD2   LYS+ 111 - HN    ILE   56  12.06 +/- 3.71   3.493% *  0.9114% (0.34   0.13   1.79) =   0.053%
          HB3   MET   92 - HN    ILE   56  11.35 +/- 3.25   6.066% *  0.1904% (0.45   0.02   0.02) =   0.019%
          HB2   LEU   73 - HN    ILE   56  16.80 +/- 4.49   1.890% *  0.2575% (0.61   0.02   0.02) =   0.008%
          QD    LYS+ 106 - HN    ILE   56  16.56 +/- 2.30   0.996% *  0.3400% (0.80   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HZ2   TRP   87  12.26 +/- 5.66  12.026% *  0.0148% (0.03   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    ILE   56  17.10 +/- 2.59   0.931% *  0.1448% (0.34   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    ILE   56  21.77 +/- 2.09   0.363% *  0.3547% (0.84   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ILE   56  23.80 +/- 1.91   0.272% *  0.3245% (0.76   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    ILE   56  17.80 +/- 2.02   0.643% *  0.0655% (0.15   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   9.55 +/- 1.13   4.249% *  0.0063% (0.01   0.02  18.86) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  15.00 +/- 4.73   2.180% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  18.79 +/- 6.77   1.570% *  0.0141% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  18.55 +/- 5.87   1.379% *  0.0154% (0.04   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  18.09 +/- 2.56   0.701% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.54 +/- 2.77   1.200% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.20 +/- 4.78   0.529% *  0.0063% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  27.79 +/- 4.09   0.208% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.12 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.58, support = 0.57, residual support = 0.61:
          HB3   LEU  115 - HN    ILE   56   8.88 +/- 2.01   7.276% * 53.7430% (0.92   0.70   0.15) =  43.667%  kept
          QB    ALA  110 - HN    ILE   56   9.03 +/- 4.06  16.818% * 10.9098% (0.20   0.66   1.76) =  20.491%  kept
          HG    LEU  115 - HN    ILE   56   7.87 +/- 2.21  14.776% * 10.9778% (0.38   0.35   0.15) =  18.114%  kept
          QB    ALA   61 - HN    ILE   56   8.13 +/- 1.04  10.644% * 13.1166% (0.38   0.42   1.00) =  15.591%  kept
          HG    LEU   73 - HN    ILE   56  17.76 +/- 4.26   2.230% *  1.4992% (0.90   0.02   0.02) =   0.373%  kept
          HG    LEU   80 - HZ2   TRP   87   8.58 +/- 1.31  10.078% *  0.2570% (0.01   0.32   0.02) =   0.289%  kept
          HG    LEU   73 - HZ2   TRP   87  15.28 +/- 4.85   2.875% *  0.7853% (0.04   0.24   0.02) =   0.252%  kept
          QG    LYS+  66 - HN    ILE   56  14.35 +/- 1.71   1.854% *  1.2139% (0.73   0.02   0.02) =   0.251%  kept
          HG    LEU   80 - HN    ILE   56  21.08 +/- 4.83   5.855% *  0.3722% (0.22   0.02   0.02) =   0.243%  kept
          HG    LEU   67 - HN    ILE   56  17.12 +/- 2.55   1.018% *  1.3963% (0.84   0.02   0.02) =   0.159%  kept
          QB    ALA  120 - HN    ILE   56  13.65 +/- 1.08   1.930% *  0.6274% (0.38   0.02   0.02) =   0.135%  kept
          HG    LEU   40 - HN    ILE   56  19.25 +/- 2.28   0.742% *  1.5431% (0.92   0.02   0.02) =   0.128%  kept
          HB3   LEU   67 - HN    ILE   56  16.87 +/- 2.69   1.165% *  0.8795% (0.53   0.02   0.02) =   0.114%  kept
          HG2   LYS+ 102 - HN    ILE   56  27.33 +/- 1.79   0.235% *  1.6133% (0.97   0.02   0.02) =   0.042%
          HG12  ILE   19 - HN    ILE   56  20.48 +/- 3.79   0.896% *  0.2579% (0.15   0.02   0.02) =   0.026%
          HG2   LYS+ 102 - HZ2   TRP   87  17.88 +/- 7.41   2.897% *  0.0700% (0.04   0.02   0.02) =   0.023%
          HB3   LEU   40 - HN    ILE   56  20.57 +/- 2.52   0.603% *  0.3308% (0.20   0.02   0.02) =   0.022%
          HG    LEU   67 - HZ2   TRP   87  18.56 +/- 4.64   2.633% *  0.0606% (0.04   0.02   0.02) =   0.018%
          QG    LYS+  66 - HZ2   TRP   87  19.58 +/- 4.55   2.721% *  0.0527% (0.03   0.02   0.02) =   0.016%
          HG    LEU   40 - HZ2   TRP   87  18.78 +/- 5.29   1.631% *  0.0670% (0.04   0.02   0.02) =   0.012%
          HB3   LEU  115 - HZ2   TRP   87  18.93 +/- 3.59   1.123% *  0.0670% (0.04   0.02   0.02) =   0.008%
          HB3   LEU   67 - HZ2   TRP   87  18.51 +/- 4.11   1.460% *  0.0382% (0.02   0.02   0.02) =   0.006%
          QB    ALA  110 - HZ2   TRP   87  16.09 +/- 3.72   3.453% *  0.0144% (0.01   0.02   0.02) =   0.006%
          QB    ALA   61 - HZ2   TRP   87  16.42 +/- 3.16   1.250% *  0.0272% (0.02   0.02   0.02) =   0.004%
          HG    LEU  115 - HZ2   TRP   87  19.97 +/- 3.41   0.847% *  0.0272% (0.02   0.02   0.02) =   0.003%
          HB3   LEU   40 - HZ2   TRP   87  19.40 +/- 5.18   1.287% *  0.0144% (0.01   0.02   0.02) =   0.002%
          QB    ALA  120 - HZ2   TRP   87  22.24 +/- 3.35   0.590% *  0.0272% (0.02   0.02   0.02) =   0.002%
          HG12  ILE   19 - HZ2   TRP   87  20.30 +/- 7.53   1.115% *  0.0112% (0.01   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 6 structures by 0.94 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 = 6.7, residual support = 123.8:
          QG2   ILE   56 - HN    ILE   56   2.61 +/- 0.71  83.122% * 98.4665% (1.00   6.70 123.83) =  99.989%  kept
          QB    ALA   91 - HN    ILE   56  12.38 +/- 2.82   1.349% *  0.2133% (0.73   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    ILE   56  19.30 +/- 4.82   1.028% *  0.1900% (0.65   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    ILE   56  19.75 +/- 2.23   0.327% *  0.2779% (0.95   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ILE   56  13.94 +/- 3.18   1.156% *  0.0581% (0.20   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  19.72 +/- 2.02   0.283% *  0.2133% (0.73   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   56  21.02 +/- 3.78   0.327% *  0.1102% (0.38   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  15.72 +/- 6.09   2.646% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  28.51 +/- 2.67   0.098% *  0.2779% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  20.76 +/- 4.27   0.391% *  0.0514% (0.18   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  16.32 +/- 6.72   2.400% *  0.0082% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  11.73 +/- 1.58   1.890% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.20 +/- 1.79   0.145% *  0.0654% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  17.30 +/- 3.97   0.874% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.89 +/- 2.93   0.470% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  24.12 +/- 6.27   0.478% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  14.98 +/- 3.27   1.291% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  20.81 +/- 7.56   0.516% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  20.22 +/- 6.98   0.716% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  20.58 +/- 4.62   0.494% *  0.0022% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.11 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.915, support = 5.7, residual support = 88.1:
          HD2   ARG+  54 - HN    ARG+  54   4.11 +/- 0.90  27.195% * 44.0745% (0.95   6.59 168.99) =  43.860%  kept
          HB3   CYS   53 - HN    ARG+  54   3.76 +/- 0.43  31.606% * 36.6135% (0.94   5.52  31.70) =  42.345%  kept
          QB    PHE   55 - HN    ARG+  54   4.33 +/- 0.23  20.243% * 18.3976% (0.76   3.43   4.16) =  13.628%  kept
          HB2   PHE   59 - HN    ASP-  62   5.93 +/- 0.43   7.616% *  0.4939% (0.09   0.75   6.36) =   0.138%  kept
          HD3   PRO   93 - HN    ARG+  54   8.78 +/- 2.82   4.036% *  0.1200% (0.85   0.02   0.02) =   0.018%
          HB2   PHE   59 - HN    ARG+  54  10.68 +/- 0.80   1.396% *  0.0704% (0.50   0.02   0.02) =   0.004%
          HD3   PRO   68 - HN    ARG+  54  20.08 +/- 3.43   0.598% *  0.1161% (0.82   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ASP-  62  10.17 +/- 1.55   1.886% *  0.0217% (0.15   0.02   0.02) =   0.001%
          HB3   CYS   53 - HN    ASP-  62  11.27 +/- 2.05   1.474% *  0.0248% (0.18   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    ASP-  62  13.04 +/- 2.97   1.389% *  0.0250% (0.18   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  14.10 +/- 3.10   1.284% *  0.0225% (0.16   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    ASP-  62  10.99 +/- 0.77   1.277% *  0.0200% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 6.62, residual support = 169.0:
      O   HB2   ARG+  54 - HN    ARG+  54   2.63 +/- 0.50  80.292% * 96.9633% (0.26  10.0   6.62 168.99) =  99.979%  kept
          HB2   LYS+ 111 - HN    ARG+  54  13.49 +/- 3.65   1.145% *  0.2793% (0.76   1.0   0.02   0.02) =   0.004%
          HB    VAL  108 - HN    ARG+  54  16.24 +/- 2.86   1.465% *  0.1190% (0.32   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    ARG+  54  12.61 +/- 2.58   1.957% *  0.0776% (0.21   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ARG+  54  22.64 +/- 4.05   0.417% *  0.3457% (0.94   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    ARG+  54  22.30 +/- 4.85   0.383% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ARG+  54  15.37 +/- 1.33   0.482% *  0.1974% (0.54   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ASP-  62   9.68 +/- 1.13   2.121% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  12.75 +/- 1.33   1.103% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  23.73 +/- 3.97   0.172% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ARG+  54  23.99 +/- 4.04   0.197% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  14.05 +/- 3.08   0.826% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ARG+  54  25.77 +/- 4.99   0.192% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.44 +/- 3.29   0.175% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  16.94 +/- 3.17   0.591% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  21.83 +/- 4.31   0.677% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.35 +/- 2.19   1.588% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  16.13 +/- 1.94   0.480% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.51 +/- 2.87   0.627% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  16.07 +/- 1.87   0.456% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  22.49 +/- 3.98   0.475% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  21.39 +/- 4.30   0.247% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.48 +/- 2.08   0.066% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.74 +/- 1.48   0.933% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.15 +/- 1.67   1.504% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.43 +/- 2.36   0.461% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.15 +/- 2.45   0.801% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.08 +/- 3.66   0.164% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.908, support = 6.46, residual support = 161.3:
          HG2   ARG+  54 - HN    ARG+  54   3.32 +/- 0.41  59.631% * 81.1623% (0.94   6.62 168.99) =  95.394%  kept
          HB3   PRO   52 - HN    ARG+  54   5.39 +/- 0.35  16.077% * 13.1584% (0.29   3.44   1.92) =   4.170%  kept
          HB    ILE   56 - HN    ARG+  54   7.46 +/- 0.53   6.195% *  3.3727% (0.46   0.56   0.02) =   0.412%  kept
          HB3   GLN   90 - HN    ARG+  54  16.03 +/- 2.92   0.759% *  0.2389% (0.91   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    ARG+  54  17.53 +/- 4.24   0.765% *  0.2285% (0.87   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ARG+  54  17.08 +/- 2.06   0.623% *  0.2220% (0.85   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ARG+  54  21.73 +/- 4.03   0.482% *  0.2389% (0.91   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    ASP-  62  11.86 +/- 2.23   2.310% *  0.0459% (0.18   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    ASP-  62   9.02 +/- 1.50   4.189% *  0.0225% (0.09   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  12.01 +/- 1.79   1.679% *  0.0447% (0.17   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ARG+  54  21.07 +/- 2.18   0.261% *  0.2470% (0.94   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ARG+  54  24.16 +/- 1.85   0.182% *  0.2427% (0.93   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.44 +/- 3.08   0.177% *  0.2454% (0.94   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASP-  62  16.43 +/- 2.74   0.651% *  0.0462% (0.18   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  15.86 +/- 2.09   0.666% *  0.0415% (0.16   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP-  62  18.43 +/- 3.09   0.535% *  0.0459% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.64 +/- 2.19   0.288% *  0.0764% (0.29   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  13.47 +/- 2.08   1.348% *  0.0143% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  19.68 +/- 2.65   0.372% *  0.0428% (0.16   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.24 +/- 2.66   0.314% *  0.0454% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.28 +/- 3.48   0.279% *  0.0490% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.46 +/- 2.93   0.274% *  0.0447% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.59 +/- 1.17   0.627% *  0.0143% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  29.76 +/- 2.97   0.100% *  0.0844% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.81 +/- 3.05   0.851% *  0.0092% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  20.86 +/- 3.40   0.367% *  0.0158% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.18, support = 2.67, residual support = 7.77:
          QB    ALA   61 - HN    ASP-  62   2.76 +/- 0.25  65.185% * 52.1025% (0.16   2.79   8.14) =  95.200%  kept
          QB    ALA  110 - HN    ARG+  54  10.28 +/- 3.94   4.317% * 17.5483% (0.95   0.16   0.02) =   2.124%  kept
          QG    LYS+  66 - HN    ASP-  62   6.90 +/- 1.73   7.640% *  9.2084% (0.11   0.75   0.83) =   1.972%  kept
          HB3   LEU   67 - HN    ASP-  62   9.23 +/- 1.40   1.980% *  3.7298% (0.14   0.23   0.02) =   0.207%  kept
          QB    ALA   61 - HN    ARG+  54   9.34 +/- 1.65   3.196% *  1.9974% (0.87   0.02   0.02) =   0.179%  kept
          HG    LEU   80 - HN    ARG+  54  20.05 +/- 4.77   1.458% *  2.1589% (0.94   0.02   0.02) =   0.088%
          HB2   LEU   80 - HN    ARG+  54  19.03 +/- 4.15   0.965% *  1.4863% (0.65   0.02   0.02) =   0.040%
          HB3   LYS+  74 - HN    ARG+  54  15.49 +/- 3.49   1.221% *  1.0532% (0.46   0.02   0.02) =   0.036%
          HB3   LYS+  74 - HN    ASP-  62  10.28 +/- 2.98   6.321% *  0.1971% (0.09   0.02   0.02) =   0.035%
          HB3   LEU   67 - HN    ARG+  54  18.59 +/- 3.18   0.475% *  1.7326% (0.76   0.02   0.02) =   0.023%
          HG12  ILE   19 - HN    ARG+  54  21.88 +/- 4.35   0.253% *  2.1446% (0.94   0.02   0.02) =   0.015%
          HG    LEU   73 - HN    ARG+  54  18.48 +/- 4.34   0.600% *  0.8895% (0.39   0.02   0.02) =   0.015%
          QG    LYS+  66 - HN    ARG+  54  16.00 +/- 1.71   0.368% *  1.3124% (0.57   0.02   0.02) =   0.014%
          HG12  ILE   19 - HN    ASP-  62  13.93 +/- 2.81   1.065% *  0.4013% (0.18   0.02   0.02) =   0.012%
          QB    ALA  110 - HN    ASP-  62  13.66 +/- 2.56   1.056% *  0.4049% (0.18   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    ASP-  62  13.26 +/- 2.73   1.235% *  0.1664% (0.07   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ASP-  62  14.44 +/- 2.32   0.908% *  0.2130% (0.09   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    ARG+  54  20.97 +/- 1.67   0.168% *  1.1384% (0.50   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    ASP-  62  19.72 +/- 3.74   0.275% *  0.4040% (0.18   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ARG+  54  20.47 +/- 1.83   0.191% *  0.5395% (0.24   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  19.00 +/- 2.95   0.258% *  0.2781% (0.12   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP-  62  15.54 +/- 2.39   0.643% *  0.1010% (0.04   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  29.08 +/- 1.99   0.065% *  0.6678% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  23.92 +/- 3.28   0.154% *  0.1250% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.21 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 = 0.457, support = 2.81, residual support = 10.9:
      O   HA2   GLY   51 - HN    GLY   51   2.68 +/- 0.25  40.559% * 83.6627% (0.49  10.0   2.21  10.15) =  79.924%  kept
          HD2   PRO   52 - HN    GLY   51   2.40 +/- 0.70  55.910% * 15.2375% (0.34   1.0   5.20  13.73) =  20.066%  kept
          QB    SER   48 - HN    GLY   51   7.42 +/- 0.81   2.068% *  0.1314% (0.76   1.0   0.02   0.02) =   0.006%
          HB    THR   94 - HN    GLY   51  13.28 +/- 1.64   0.331% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  17.20 +/- 3.16   0.192% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    GLY   51  18.82 +/- 2.79   0.133% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  26.78 +/- 5.24   0.120% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  16.71 +/- 3.82   0.406% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.01 +/- 1.93   0.062% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.01 +/- 2.66   0.143% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  24.63 +/- 1.98   0.047% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.83 +/- 3.19   0.027% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 1.58, residual support = 7.49:
      O   QB    CYS   50 - HN    CYS   50   2.84 +/- 0.37  90.124% * 99.6281% (0.69  10.0   1.58   7.49) =  99.985%  kept
          HB3   ASP-  78 - HN    CYS   50  10.53 +/- 5.38   6.812% *  0.1534% (0.84   1.0   0.02   0.02) =   0.012%
          QE    LYS+  74 - HN    CYS   50  11.46 +/- 2.74   1.933% *  0.1334% (0.73   1.0   0.02   0.02) =   0.003%
          HB3   ASN   69 - HN    CYS   50  24.72 +/- 4.59   0.923% *  0.0567% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   50  22.22 +/- 1.80   0.208% *  0.0283% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.01, residual support = 6.9:
          QB    ALA   47 - HN    CYS   50   2.75 +/- 1.05  80.080% * 97.6831% (0.57   2.01   6.91) =  99.899%  kept
          HG2   LYS+ 112 - HN    CYS   50  14.17 +/- 4.30  17.107% *  0.3007% (0.18   0.02   0.02) =   0.066%
          QB    ALA   64 - HN    CYS   50  13.62 +/- 1.68   1.338% *  1.2466% (0.73   0.02   0.02) =   0.021%
          QG1   VAL   42 - HN    CYS   50  14.02 +/- 1.46   1.475% *  0.7697% (0.45   0.02   0.02) =   0.014%
    Distance limit 4.29 A violated in 0 structures by 0.09 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.295, support = 3.46, residual support = 14.4:
      O   HA    SER   48 - HN    TRP   49   3.52 +/- 0.07  36.154% * 70.3680% (0.22  10.0   3.25  14.36) =  67.791%  kept
          QB    SER   48 - HN    TRP   49   3.30 +/- 0.34  43.438% * 27.7494% (0.45   1.0   3.92  14.36) =  32.119%  kept
          HD2   PRO   52 - HN    TRP   49   5.95 +/- 0.94   9.155% *  0.2045% (0.65   1.0   0.02   3.21) =   0.050%
          QB    SER   85 - HN    TRP   49  13.62 +/- 3.04   1.396% *  0.3050% (0.97   1.0   0.02   0.02) =   0.011%
          HA    ALA   88 - HN    TRP   49  13.18 +/- 3.52   3.151% *  0.1299% (0.41   1.0   0.02   0.02) =   0.011%
          HA2   GLY   51 - HN    TRP   49   7.23 +/- 0.76   4.759% *  0.0704% (0.22   1.0   0.02   0.02) =   0.009%
          HA    LYS+  65 - HN    TRP   49  19.45 +/- 3.47   0.402% *  0.3133% (0.99   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    TRP   49  11.96 +/- 1.18   1.164% *  0.1078% (0.34   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    TRP   49  27.43 +/- 5.01   0.104% *  0.3050% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    TRP   49  25.27 +/- 2.12   0.103% *  0.2171% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    TRP   49  28.41 +/- 3.16   0.085% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  26.40 +/- 1.96   0.088% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 85.7:
      O   HB3   TRP   49 - HN    TRP   49   3.14 +/- 0.46  98.820% * 99.8958% (0.80  10.0   3.98  85.70) =  99.999%  kept
          HB3   PHE   59 - HN    TRP   49  15.57 +/- 1.63   1.180% *  0.1042% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 4.06 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 = 0.392, support = 2.46, residual support = 9.17:
      O   QB    SER   48 - HN    SER   48   2.39 +/- 0.23  55.704% * 66.2308% (0.45  10.0   2.41   9.17) =  74.868%  kept
      O   HA    SER   48 - HN    SER   48   2.73 +/- 0.05  37.639% * 32.8893% (0.22  10.0   2.61   9.17) =  25.121%  kept
          HD2   PRO   52 - HN    SER   48   7.67 +/- 1.15   1.982% *  0.0956% (0.65   1.0   0.02   0.02) =   0.004%
          HA    ALA   88 - HN    SER   48  11.53 +/- 3.02   1.833% *  0.0607% (0.41   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    SER   48  12.09 +/- 2.43   0.773% *  0.1426% (0.97   1.0   0.02   0.02) =   0.002%
          HB    THR   94 - HN    SER   48  10.77 +/- 1.14   0.712% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.40 +/- 0.76   0.987% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER   48  19.04 +/- 3.46   0.169% *  0.1464% (0.99   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER   48  26.95 +/- 5.00   0.064% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  25.44 +/- 2.00   0.048% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.11 +/- 3.12   0.046% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  26.31 +/- 1.76   0.043% *  0.0411% (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 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.07, residual support = 6.26:
          QB    ALA   47 - HN    SER   48   2.80 +/- 0.26  97.147% * 99.1185% (0.90   4.07   6.26) =  99.992%  kept
          QG1   VAL   42 - HN    SER   48  14.17 +/- 0.92   0.835% *  0.4345% (0.80   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - HN    SER   48  16.45 +/- 4.10   1.013% *  0.2433% (0.45   0.02   0.02) =   0.003%
          QB    ALA   64 - HN    SER   48  14.04 +/- 1.92   1.005% *  0.2037% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.64 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   9.62 +/- 3.12  61.624% * 52.2208% (0.84   0.02   0.02) =  63.703%  kept
          HB2   TRP   87 - HN    ALA   47  12.76 +/- 2.97  38.376% * 47.7792% (0.76   0.02   0.02) =  36.297%  kept
    Distance limit 4.25 A violated in 20 structures by 4.15 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.39, residual support = 6.06:
          QB    CYS   50 - HN    ALA   47   4.32 +/- 1.37  62.025% * 70.3621% (0.97   1.50   6.91) =  87.600%  kept
          QE    LYS+  74 - HN    ALA   47   9.31 +/- 2.40  21.547% * 28.3194% (0.98   0.59   0.02) =  12.248%  kept
          HB3   ASP-  78 - HN    ALA   47   9.04 +/- 3.24  13.830% *  0.4732% (0.49   0.02   0.02) =   0.131%  kept
          HB3   ASN   69 - HN    ALA   47  22.51 +/- 3.45   1.126% *  0.6289% (0.65   0.02   0.02) =   0.014%
          HB2   PHE   72 - HN    ALA   47  15.62 +/- 1.64   1.473% *  0.2164% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.00 A violated in 0 structures by 0.19 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 3.2, residual support = 12.1:
          QG2   THR   46 - HN    ALA   47   3.28 +/- 0.61  85.389% * 97.5683% (0.97   3.20  12.12) =  99.908%  kept
          QG2   VAL   18 - HN    ALA   47  14.25 +/- 5.04   9.035% *  0.5662% (0.90   0.02   0.02) =   0.061%
          QG1   VAL   43 - HN    ALA   47  11.36 +/- 1.11   3.049% *  0.4337% (0.69   0.02   0.02) =   0.016%
          QD1   ILE   19 - HN    ALA   47  16.99 +/- 3.03   1.132% *  0.5972% (0.95   0.02   0.02) =   0.008%
          QD2   LEU  104 - HN    ALA   47  19.18 +/- 1.43   0.538% *  0.5273% (0.84   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ALA   47  16.68 +/- 1.50   0.857% *  0.3073% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.09 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 = 2.34, residual support = 10.9:
      O   QB    ALA   47 - HN    ALA   47   2.35 +/- 0.18  94.823% * 99.7622% (0.57  10.0   2.34  10.86) =  99.996%  kept
          QB    ALA   64 - HN    ALA   47  11.51 +/- 1.78   1.465% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    ALA   47  12.69 +/- 4.03   2.732% *  0.0309% (0.18   1.0   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    ALA   47  11.48 +/- 0.96   0.979% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 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 = 3.23, residual support = 34.3:
      O   HB    THR   46 - HN    THR   46   3.16 +/- 0.45  95.413% * 99.3656% (0.25  10.0   3.23  34.33) =  99.989%  kept
          HA    LYS+ 112 - HN    THR   46  13.04 +/- 2.37   2.475% *  0.3045% (0.76   1.0   0.02   0.02) =   0.008%
          HB2   HIS   22 - HN    THR   46  15.53 +/- 3.69   1.590% *  0.1359% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   HIS  122 - HN    THR   46  19.46 +/- 2.10   0.522% *  0.1940% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.27 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 = 0.593, support = 3.64, residual support = 11.3:
          QG2   THR   77 - HN    THR   46   2.82 +/- 0.90  72.569% * 81.2734% (0.61   3.71  11.65) =  96.636%  kept
          HB3   ASP-  44 - HN    THR   46   6.25 +/- 0.79  13.002% * 15.2997% (0.22   1.90   0.02) =   3.259%  kept
          QB    ALA   88 - HN    THR   46  10.99 +/- 1.60   3.870% *  0.6838% (0.95   0.02   0.02) =   0.043%
          HG2   LYS+ 111 - HN    THR   46  16.08 +/- 3.25   2.100% *  0.4676% (0.65   0.02   0.02) =   0.016%
          HB3   LEU   80 - HN    THR   46  10.63 +/- 2.54   3.290% *  0.2972% (0.41   0.02   0.02) =   0.016%
          HB2   LEU   31 - HN    THR   46  18.17 +/- 2.86   2.043% *  0.4093% (0.57   0.02   0.02) =   0.014%
          HB2   LEU   63 - HN    THR   46  11.49 +/- 3.52   2.566% *  0.2231% (0.31   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    THR   46  21.50 +/- 1.01   0.320% *  0.6483% (0.90   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    THR   46  24.70 +/- 1.27   0.240% *  0.6976% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.29 +/- 1.70  40.344% * 32.0586% (0.99   0.02   0.02) =  53.212%  kept
          QD1   ILE  119 - HN    THR   46  12.79 +/- 1.59  23.535% * 25.8997% (0.80   0.02   0.02) =  25.079%  kept
          HG3   LYS+ 112 - HN    THR   46  13.68 +/- 4.20  28.553% *  9.9831% (0.31   0.02   0.02) =  11.728%  kept
          HB2   LEU  104 - HN    THR   46  18.05 +/- 1.07   7.567% * 32.0586% (0.99   0.02   0.02) =   9.981%  kept
    Distance limit 4.69 A violated in 18 structures by 4.13 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.37, residual support = 34.3:
          QG2   THR   46 - HN    THR   46   2.44 +/- 0.43  88.659% * 88.1443% (0.97   3.37  34.33) =  99.772%  kept
          QG2   VAL   18 - HN    THR   46  12.64 +/- 4.73   1.476% * 10.0339% (1.00   0.37   0.02) =   0.189%  kept
          QG1   VAL   43 - HN    THR   46   8.10 +/- 1.13   3.785% *  0.5124% (0.95   0.02   0.02) =   0.025%
          QG1   VAL   41 - HN    THR   46  13.66 +/- 1.43   0.832% *  0.4337% (0.80   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    THR   46  10.12 +/- 1.56   2.823% *  0.0836% (0.15   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    THR   46  14.60 +/- 2.74   0.614% *  0.3721% (0.69   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    THR   46  16.42 +/- 3.13   1.427% *  0.1351% (0.25   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    THR   46  16.52 +/- 1.18   0.384% *  0.2850% (0.53   0.02   0.02) =   0.001%
    Distance limit 3.22 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 = 1.65:
          QG1   VAL   75 - HN    THR   46   4.28 +/- 1.34  85.101% * 99.0105% (0.92   1.66   1.65) =  99.825%  kept
          QD1   LEU  115 - HN    THR   46   9.89 +/- 1.53  14.899% *  0.9895% (0.76   0.02   0.02) =   0.175%  kept
    Distance limit 4.54 A violated in 3 structures by 0.42 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.42, residual support = 27.3:
          HB    THR   94 - HN    PHE   45   3.82 +/- 0.47  79.357% * 94.3862% (0.65   3.42  27.35) =  99.861%  kept
          HA    LYS+  65 - HN    PHE   45  13.18 +/- 2.40   3.043% *  0.7876% (0.92   0.02   0.02) =   0.032%
          QB    SER   48 - HN    PHE   45  11.19 +/- 0.55   3.486% *  0.6520% (0.76   0.02   0.02) =   0.030%
          QB    SER   85 - HN    PHE   45  14.51 +/- 1.38   1.729% *  0.8234% (0.97   0.02   0.02) =   0.019%
          HD2   PRO   52 - HN    PHE   45  11.89 +/- 1.52   3.191% *  0.2910% (0.34   0.02   0.02) =   0.012%
          HA    ALA  120 - HN    PHE   45  17.62 +/- 1.42   0.956% *  0.8071% (0.95   0.02   0.02) =   0.010%
          HA2   GLY   51 - HN    PHE   45  13.93 +/- 1.09   1.786% *  0.4153% (0.49   0.02   0.02) =   0.010%
          HA2   GLY   16 - HN    PHE   45  20.96 +/- 3.22   0.635% *  0.8234% (0.97   0.02   0.02) =   0.007%
          QB    SER  117 - HN    PHE   45  13.33 +/- 0.96   2.168% *  0.2127% (0.25   0.02   0.02) =   0.006%
          HA    LYS+ 121 - HN    PHE   45  17.73 +/- 1.81   0.950% *  0.4830% (0.57   0.02   0.02) =   0.006%
          HA    ALA   88 - HN    PHE   45  13.57 +/- 1.48   2.071% *  0.1494% (0.18   0.02   0.02) =   0.004%
          HA    GLN   32 - HN    PHE   45  20.26 +/- 2.05   0.627% *  0.1688% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.63, residual support = 80.0:
      O   HB2   PHE   45 - HN    PHE   45   2.95 +/- 0.52  94.330% * 99.8561% (0.99  10.0   3.63  80.02) =  99.995%  kept
          QE    LYS+ 111 - HN    PHE   45  12.80 +/- 2.21   3.315% *  0.0988% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   CYS   21 - HN    PHE   45  13.21 +/- 3.66   2.355% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 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 = 80.0:
      O   HB3   PHE   45 - HN    PHE   45   3.01 +/- 0.66  82.202% * 99.6079% (0.87  10.0   3.95  80.02) =  99.985%  kept
          QE    LYS+ 112 - HN    PHE   45  10.51 +/- 3.52   6.703% *  0.0996% (0.87   1.0   0.02   0.02) =   0.008%
          HB    VAL  107 - HN    PHE   45   8.32 +/- 0.85   5.803% *  0.0515% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    PHE   45  12.05 +/- 2.32   3.893% *  0.0431% (0.38   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    PHE   45  14.31 +/- 2.38   1.012% *  0.0919% (0.80   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    PHE   45  20.98 +/- 2.19   0.386% *  0.1060% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 0.443, support = 3.71, residual support = 16.4:
          HB3   ASP-  44 - HN    PHE   45   3.88 +/- 0.49  38.645% * 60.5387% (0.49   4.10  18.44) =  78.135%  kept
          QG2   THR   77 - HN    PHE   45   5.01 +/- 0.76  21.600% * 24.1773% (0.31   2.58  11.37) =  17.441%  kept
          HB3   PRO   93 - HN    PHE   45   5.34 +/- 0.94  18.068% *  6.3611% (0.15   1.36   0.02) =   3.838%  kept
          QB    ALA   88 - HN    PHE   45  11.94 +/- 1.60   1.575% *  3.8639% (0.69   0.19   0.02) =   0.203%  kept
          QB    ALA   84 - HN    PHE   45   9.90 +/- 1.20   2.966% *  1.6152% (0.18   0.30   0.28) =   0.160%  kept
          HB2   LEU   63 - HN    PHE   45   9.12 +/- 3.20  10.444% *  0.3680% (0.61   0.02   0.02) =   0.128%  kept
          HB3   LEU   80 - HN    PHE   45  12.63 +/- 3.11   2.243% *  0.4405% (0.73   0.02   0.02) =   0.033%
          HG2   LYS+ 111 - HN    PHE   45  13.86 +/- 2.04   1.548% *  0.5600% (0.92   0.02   0.02) =   0.029%
          HB2   LEU   31 - HN    PHE   45  16.86 +/- 2.40   0.602% *  0.5262% (0.87   0.02   0.02) =   0.011%
          HG2   LYS+  99 - HN    PHE   45  18.17 +/- 0.90   0.393% *  0.6053% (1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    PHE   45  12.64 +/- 1.88   1.383% *  0.1513% (0.25   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    PHE   45  22.02 +/- 0.79   0.231% *  0.5855% (0.97   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    PHE   45  20.04 +/- 1.47   0.302% *  0.2069% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.25 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 = 0.865, support = 1.03, residual support = 8.24:
          QD1   ILE   89 - HN    PHE   45   7.32 +/- 1.99  52.698% * 50.6609% (0.80   1.12  11.72) =  63.945%  kept
          QG2   VAL   83 - HN    PHE   45   9.09 +/- 2.14  30.783% * 48.3937% (0.98   0.87   2.09) =  35.681%  kept
          QD2   LEU   31 - HN    PHE   45  11.80 +/- 1.96  16.520% *  0.9454% (0.84   0.02   0.02) =   0.374%  kept
    Distance limit 4.39 A violated in 12 structures by 2.36 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   3.62 +/- 0.73  79.112% * 98.4415% (1.00   4.10  12.39) =  99.901%  kept
          QE    LYS+ 112 - HN    THR   46  12.16 +/- 3.76  11.823% *  0.4802% (1.00   0.02   0.02) =   0.073%
          HB    VAL  107 - HN    THR   46  12.35 +/- 0.93   2.557% *  0.3854% (0.80   0.02   0.02) =   0.013%
          HB3   ASP-  86 - HN    THR   46  13.30 +/- 1.84   3.142% *  0.2158% (0.45   0.02   0.02) =   0.009%
          HG2   GLU-  29 - HN    THR   46  21.34 +/- 3.06   0.558% *  0.2919% (0.61   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HN    THR   46  14.02 +/- 2.40   2.216% *  0.0651% (0.14   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    THR   46  20.91 +/- 2.39   0.593% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.869, support = 0.739, residual support = 7.78:
          HN    CYS   50 - HN    CYS   53   5.05 +/- 0.30  95.300% * 77.1198% (0.87  1.00   0.75   7.89) =  98.558%  kept
        T HN    VAL   83 - HN    CYS   53  18.59 +/- 3.86   4.700% * 22.8802% (0.97 10.00   0.02   0.02) =   1.442%  kept
    Distance limit 4.82 A violated in 0 structures by 0.28 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 55.8:
      O   HA    PRO   52 - HN    CYS   53   3.46 +/- 0.03  95.665% * 99.8358% (0.61  10.0   7.18  55.84) =  99.993%  kept
          HA    LYS+ 111 - HN    CYS   53  12.00 +/- 4.28   4.335% *  0.1642% (1.00   1.0   0.02   0.02) =   0.007%
    Distance limit 4.63 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   2.73 +/- 0.04  97.915% * 99.7036% (0.90  10.0   4.77  44.16) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  15.36 +/- 3.25   1.133% *  0.0457% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    CYS   53  21.46 +/- 4.18   0.352% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  25.51 +/- 4.16   0.178% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.13 +/- 4.43   0.216% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  29.02 +/- 2.72   0.090% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.76 +/- 2.69   0.118% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.351, support = 7.85, residual support = 51.9:
          HD2   PRO   52 - HN    CYS   53   2.28 +/- 0.02  84.925% * 60.8784% (0.34   8.19  55.84) =  92.871%  kept
          HA2   GLY   51 - HN    CYS   53   4.56 +/- 0.23  10.892% * 36.3336% (0.49   3.43   0.24) =   7.109%  kept
          QB    SER   48 - HN    CYS   53   9.21 +/- 0.58   1.330% *  0.3330% (0.76   0.02   0.02) =   0.008%
          HB    THR   94 - HN    CYS   53  11.89 +/- 1.85   0.729% *  0.2819% (0.65   0.02   0.02) =   0.004%
          QB    SER   85 - HN    CYS   53  17.69 +/- 3.20   0.270% *  0.4205% (0.97   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    CYS   53  17.81 +/- 2.00   0.215% *  0.4022% (0.92   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    CYS   53  25.75 +/- 4.46   0.205% *  0.4205% (0.97   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    CYS   53  16.94 +/- 3.89   0.772% *  0.0763% (0.18   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    CYS   53  20.49 +/- 1.66   0.126% *  0.4122% (0.95   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  15.70 +/- 2.38   0.388% *  0.1086% (0.25   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    CYS   53  22.14 +/- 1.71   0.100% *  0.2467% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.79 +/- 2.83   0.047% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.949, support = 4.99, residual support = 45.0:
      O   HB2   CYS   53 - HN    CYS   53   2.74 +/- 0.44  65.697% * 84.9001% (0.98  10.0   4.91  44.16) =  92.474%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.02  30.468% * 14.8932% (0.57   1.0   6.07  55.84) =   7.523%  kept
          HD2   PRO   58 - HN    CYS   53   8.94 +/- 1.55   3.307% *  0.0560% (0.65   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    CYS   53  18.96 +/- 3.60   0.359% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.76 +/- 3.32   0.101% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.46 +/- 1.89   0.068% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 6.03, residual support = 42.9:
      O   HB3   CYS   53 - HN    CYS   53   2.69 +/- 0.55  61.993% * 76.2436% (0.97  10.0   6.19  44.16) =  94.730%  kept
          HD2   ARG+  54 - HN    CYS   53   6.35 +/- 1.18  10.198% * 15.8027% (0.92   1.0   4.33  31.70) =   3.230%  kept
          QB    PHE   55 - HN    CYS   53   5.05 +/- 0.59  12.868% *  5.6459% (0.97   1.0   1.48   0.02) =   1.456%  kept
          HD3   PRO   93 - HN    CYS   53   7.39 +/- 3.50  13.396% *  2.1691% (1.00   1.0   0.55   0.02) =   0.582%  kept
          HB2   PHE   59 - HN    CYS   53  11.64 +/- 0.98   1.035% *  0.0604% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    CYS   53  20.75 +/- 3.25   0.509% *  0.0783% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.86 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 = 2.93, residual support = 7.88:
          QB    CYS   50 - HN    CYS   53   4.26 +/- 0.86  72.705% * 98.0320% (0.69   2.94   7.89) =  99.819%  kept
          HB3   ASN   69 - HN    CYS   53  23.75 +/- 5.05  15.935% *  0.3001% (0.31   0.02   0.02) =   0.067%
          HB3   ASP-  78 - HN    CYS   53  13.66 +/- 5.08   5.782% *  0.8120% (0.84   0.02   0.02) =   0.066%
          QE    LYS+  74 - HN    CYS   53  12.33 +/- 2.69   4.718% *  0.7059% (0.73   0.02   0.02) =   0.047%
          HB3   HIS  122 - HN    CYS   53  19.68 +/- 1.63   0.861% *  0.1500% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.66 A violated in 0 structures by 0.11 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 55.8:
          HG2   PRO   52 - HN    CYS   53   3.06 +/- 0.32  83.517% * 94.9791% (0.25   7.20  55.84) =  99.873%  kept
          HG2   MET   92 - HN    CYS   53   9.93 +/- 3.60   6.280% *  0.8085% (0.76   0.02   0.02) =   0.064%
          QG    GLU- 114 - HN    CYS   53  12.46 +/- 3.41   4.343% *  0.7267% (0.69   0.02   0.02) =   0.040%
          HB2   GLU-  79 - HN    CYS   53  16.52 +/- 3.72   0.929% *  0.6416% (0.61   0.02   0.02) =   0.008%
          HB2   ASP-  44 - HN    CYS   53  11.79 +/- 1.50   1.928% *  0.2638% (0.25   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    CYS   53  13.38 +/- 2.75   1.509% *  0.1432% (0.14   0.02   0.02) =   0.003%
          QB    MET   11 - HN    CYS   53  29.19 +/- 5.88   0.171% *  0.8471% (0.80   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   53  18.72 +/- 2.86   0.613% *  0.1853% (0.18   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   53  24.40 +/- 3.86   0.258% *  0.3608% (0.34   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  23.71 +/- 4.57   0.365% *  0.2355% (0.22   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  32.78 +/- 3.17   0.085% *  0.8085% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.94 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 = 0.941, support = 7.03, residual support = 54.7:
          HG3   PRO   52 - HN    CYS   53   4.13 +/- 0.25  45.522% * 90.6593% (0.98   7.20  55.84) =  95.198%  kept
          HB2   ARG+  54 - HN    CYS   53   5.18 +/- 0.57  24.433% *  8.3640% (0.18   3.72  31.70) =   4.714%  kept
          HB2   PRO   93 - HN    CYS   53   7.05 +/- 2.87  19.223% *  0.1056% (0.41   0.02   0.02) =   0.047%
          HG2   PRO   58 - HN    CYS   53  10.87 +/- 1.71   5.587% *  0.2518% (0.98   0.02   0.02) =   0.032%
          HB2   PRO   68 - HN    CYS   53  23.76 +/- 4.27   2.243% *  0.0714% (0.28   0.02   0.02) =   0.004%
          HB    VAL  108 - HN    CYS   53  15.14 +/- 2.93   2.550% *  0.0348% (0.14   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    CYS   53  27.01 +/- 4.69   0.271% *  0.2563% (1.00   0.02   0.02) =   0.002%
          HG2   MET   11 - HN    CYS   53  32.67 +/- 6.66   0.172% *  0.2569% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.43 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 = 0.671, support = 7.24, residual support = 53.5:
      O   HB3   PRO   52 - HN    CYS   53   3.99 +/- 0.47  59.500% * 77.7439% (0.65  10.0   7.60  55.84) =  90.149%  kept
          HG2   ARG+  54 - HN    CYS   53   5.66 +/- 0.56  23.540% * 21.4353% (0.90   1.0   3.98  31.70) =   9.834%  kept
          HB3   GLN   90 - HN    CYS   53  14.12 +/- 3.27   2.488% *  0.0826% (0.69   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    CYS   53   8.16 +/- 0.80   8.391% *  0.0238% (0.20   1.0   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    CYS   53  16.28 +/- 4.11   1.468% *  0.0729% (0.61   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    CYS   53  22.44 +/- 3.90   0.876% *  0.1137% (0.95   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    CYS   53  16.26 +/- 2.24   1.176% *  0.0680% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    CYS   53  20.71 +/- 2.43   0.527% *  0.1042% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    CYS   53  23.35 +/- 2.02   0.346% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    CYS   53  21.58 +/- 2.23   0.445% *  0.0777% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  25.52 +/- 2.86   0.288% *  0.0918% (0.76   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  21.50 +/- 1.86   0.445% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.16 +/- 2.29   0.508% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.772, support = 5.82, residual support = 44.3:
        T HN    GLN   32 - HN    LEU   31   2.71 +/- 0.22  78.198% * 96.1355% (0.78 10.00   5.84  44.52) =  99.192%  kept
          HN    ALA   34 - HN    LEU   31   4.45 +/- 0.34  19.254% *  3.1734% (0.14  1.00   3.57  11.76) =   0.806%  kept
        T HN    GLN   32 - HN    PHE   55  27.52 +/- 3.15   0.086% *  0.4690% (0.38 10.00   0.02   0.02) =   0.001%
          HN    SER   85 - HN    LEU   31  21.97 +/- 6.56   0.308% *  0.1148% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  11.41 +/- 1.91   1.523% *  0.0140% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.31 +/- 3.49   0.239% *  0.0560% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.40 +/- 2.28   0.303% *  0.0287% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.96 +/- 2.84   0.090% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 7.02, residual support = 49.0:
        T HN    GLN   30 - HN    LEU   31   2.51 +/- 0.08  81.191% * 78.2551% (0.53 10.00   7.23  51.62) =  94.922%  kept
          HN    GLU-  29 - HN    LEU   31   4.33 +/- 0.20  16.096% * 21.1068% (0.91  1.00   3.12   0.41) =   5.076%  kept
          HN    VAL   18 - HN    LEU   31  13.75 +/- 2.20   1.634% *  0.0384% (0.26  1.00   0.02   0.02) =   0.001%
        T HN    GLN   30 - HN    PHE   55  25.49 +/- 3.63   0.099% *  0.3817% (0.26 10.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  21.51 +/- 7.23   0.340% *  0.0894% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  20.84 +/- 4.62   0.388% *  0.0187% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.94 +/- 3.30   0.161% *  0.0436% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  26.67 +/- 4.05   0.090% *  0.0661% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.29, residual support = 20.9:
      O   HA    PHE   55 - HN    PHE   55   2.79 +/- 0.06  74.292% * 97.6553% (0.48  10.0   3.30  20.93) =  99.803%  kept
          HA    TRP   27 - HN    LEU   31   4.47 +/- 0.39  19.318% *  0.5434% (0.13   1.0   0.40  22.06) =   0.144%  kept
          HA    ALA  110 - HN    PHE   55  11.17 +/- 4.62   3.330% *  1.0789% (0.71   1.0   0.15   0.14) =   0.049%
          HA    GLN   90 - HN    PHE   55  16.33 +/- 3.10   0.538% *  0.1289% (0.64   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  14.27 +/- 3.23   0.906% *  0.0662% (0.33   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    PHE   55  15.33 +/- 2.64   0.612% *  0.0912% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  23.74 +/- 4.79   0.184% *  0.0977% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.81 +/- 2.74   0.218% *  0.0690% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  25.43 +/- 3.70   0.121% *  0.1094% (0.54   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  26.29 +/- 3.59   0.116% *  0.0740% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  23.36 +/- 3.40   0.160% *  0.0501% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.87 +/- 3.67   0.204% *  0.0358% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 3.03, residual support = 20.7:
      O   QB    PHE   55 - HN    PHE   55   2.06 +/- 0.12  85.027% * 82.0524% (0.79  10.0   3.03  20.93) =  98.533%  kept
          HD2   ARG+  54 - HN    PHE   55   5.08 +/- 0.49   6.170% * 14.1572% (0.69   1.0   3.94   4.16) =   1.234%  kept
          HB3   CYS   53 - HN    PHE   55   5.33 +/- 0.35   5.074% *  3.2038% (0.73   1.0   0.84   0.02) =   0.230%  kept
          HD3   PRO   93 - HN    PHE   55   9.15 +/- 3.27   1.874% *  0.0826% (0.79   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HN    PHE   55   9.32 +/- 0.91   1.037% *  0.0691% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    LEU   31  16.90 +/- 2.88   0.248% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  19.88 +/- 2.90   0.139% *  0.0828% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.92 +/- 3.17   0.141% *  0.0524% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.87 +/- 2.98   0.084% *  0.0579% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.11 +/- 2.42   0.075% *  0.0626% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.09 +/- 2.58   0.071% *  0.0622% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  26.66 +/- 3.98   0.060% *  0.0544% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 3.61, residual support = 8.98:
      O   HA    ARG+  54 - HN    PHE   55   3.51 +/- 0.04  39.196% * 65.5127% (0.25  10.0   3.31   4.16) =  67.105%  kept
          HA    ASN   28 - HN    LEU   31   3.41 +/- 0.17  42.982% * 28.7309% (0.50   1.0   4.28  19.16) =  32.272%  kept
          HA    THR   26 - HN    LEU   31   6.80 +/- 0.45   5.625% *  3.9004% (0.39   1.0   0.75   0.02) =   0.573%  kept
          HA    ALA   34 - HN    LEU   31   6.75 +/- 0.44   5.786% *  0.1552% (0.58   1.0   0.02  11.76) =   0.023%
          HA1   GLY  101 - HN    LEU   31  13.98 +/- 4.95   2.459% *  0.1604% (0.60   1.0   0.02   0.02) =   0.010%
          HA    LEU  115 - HN    PHE   55  12.18 +/- 2.03   1.295% *  0.1841% (0.69   1.0   0.02   5.76) =   0.006%
          HA    GLU- 114 - HN    PHE   55  13.65 +/- 2.58   0.910% *  0.2008% (0.75   1.0   0.02   0.02) =   0.005%
          HA    LEU  115 - HN    LEU   31  20.22 +/- 3.90   0.353% *  0.1395% (0.52   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  23.52 +/- 4.43   0.243% *  0.1521% (0.57   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    PHE   55  25.17 +/- 3.60   0.136% *  0.1773% (0.66   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  26.73 +/- 2.79   0.104% *  0.2048% (0.77   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    PHE   55  26.35 +/- 4.49   0.142% *  0.1373% (0.51   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  29.50 +/- 2.37   0.071% *  0.2118% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  24.41 +/- 5.88   0.415% *  0.0358% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.06 +/- 3.82   0.160% *  0.0496% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.41 +/- 1.68   0.122% *  0.0473% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 231.5:
      O   HA    LEU   31 - HN    LEU   31   2.78 +/- 0.08  99.840% * 99.9512% (0.60  10.0   7.14 231.47) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.01 +/- 2.61   0.160% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.492, support = 5.83, residual support = 41.5:
          HB2   GLN   30 - HN    LEU   31   3.49 +/- 0.34  35.925% * 34.0742% (0.48   6.17  51.62) =  51.770%  kept
          HG3   GLN   30 - HN    LEU   31   5.02 +/- 0.36  12.881% * 49.4402% (0.60   7.23  51.62) =  26.932%  kept
          HB2   ARG+  54 - HN    PHE   55   3.51 +/- 0.54  34.799% * 14.4367% (0.39   3.26   4.16) =  21.246%  kept
          HB2   PRO   93 - HN    PHE   55   8.36 +/- 2.63   5.675% *  0.0405% (0.18   0.02   0.02) =   0.010%
          HB2   LYS+ 111 - HN    PHE   55  12.08 +/- 3.61   1.364% *  0.1031% (0.45   0.02   0.02) =   0.006%
          QB    GLU-  15 - HN    LEU   31  12.76 +/- 3.07   1.671% *  0.0671% (0.29   0.02   0.02) =   0.005%
          HB    ILE  119 - HN    PHE   55  13.81 +/- 1.54   0.694% *  0.1458% (0.64   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    LEU   31  13.91 +/- 3.09   0.814% *  0.1197% (0.52   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    LEU   31  17.79 +/- 3.05   0.581% *  0.1197% (0.52   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    PHE   55  22.49 +/- 3.39   0.400% *  0.1580% (0.69   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.28 +/- 0.36   1.392% *  0.0426% (0.19   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    LEU   31  14.50 +/- 2.45   0.835% *  0.0671% (0.29   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    PHE   55  15.68 +/- 2.84   0.521% *  0.1031% (0.45   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    LEU   31  21.81 +/- 4.02   0.424% *  0.1105% (0.48   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    PHE   55  22.54 +/- 4.61   0.500% *  0.0886% (0.39   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    PHE   55  24.23 +/- 3.91   0.171% *  0.1805% (0.79   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   55  23.98 +/- 3.97   0.337% *  0.0886% (0.39   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  23.86 +/- 3.19   0.162% *  0.1458% (0.64   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  21.92 +/- 2.64   0.159% *  0.0781% (0.34   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    LEU   31  25.62 +/- 3.96   0.146% *  0.0671% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  25.63 +/- 3.92   0.122% *  0.0781% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.27 +/- 1.95   0.060% *  0.1580% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  26.84 +/- 5.02   0.144% *  0.0562% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.61 +/- 2.47   0.223% *  0.0307% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 231.4:
      O   HB2   LEU   31 - HN    LEU   31   2.77 +/- 0.29  79.613% * 98.5368% (0.78  10.0   7.14 231.47) =  99.983%  kept
          HB3   PRO   93 - HN    PHE   55   8.72 +/- 2.54   5.468% *  0.0418% (0.33   1.0   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    LEU   31  11.88 +/- 3.19   1.830% *  0.1023% (0.81   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    LEU   31  16.10 +/- 3.19   1.419% *  0.1169% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    LEU   31  18.48 +/- 6.84   0.844% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    LEU   31  13.91 +/- 2.80   1.391% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  12.34 +/- 1.92   1.350% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  21.44 +/- 5.02   0.595% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  15.27 +/- 1.71   0.531% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  12.77 +/- 3.99   1.421% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  13.46 +/- 2.06   0.960% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  17.66 +/- 4.48   0.527% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  12.38 +/- 0.99   1.038% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   55  15.53 +/- 2.97   0.778% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.63 +/- 4.13   0.515% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.42 +/- 2.68   0.261% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  25.85 +/- 3.56   0.147% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  20.83 +/- 1.68   0.223% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.65 +/- 2.72   0.384% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  23.04 +/- 1.80   0.164% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.99 +/- 3.06   0.110% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.70 +/- 2.14   0.262% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.04 +/- 2.20   0.096% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  30.26 +/- 2.71   0.072% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.14, residual support = 231.4:
      O   HB3   LEU   31 - HN    LEU   31   3.47 +/- 0.13  65.621% * 99.4260% (0.83  10.0   7.14 231.47) =  99.981%  kept
          QB    ALA   20 - HN    PHE   55  16.97 +/- 4.63   6.097% *  0.0485% (0.41   1.0   0.02   0.02) =   0.005%
          QB    ALA   20 - HN    LEU   31  10.48 +/- 1.06   2.627% *  0.0994% (0.83   1.0   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - HN    PHE   55   9.64 +/- 3.19  11.864% *  0.0167% (0.14   1.0   0.02   0.82) =   0.003%
          HG13  ILE  119 - HN    LEU   31  19.93 +/- 3.92   1.459% *  0.1023% (0.86   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.80 +/- 0.55   4.329% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    PHE   55  12.89 +/- 1.14   1.389% *  0.0499% (0.42   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    LEU   31  21.56 +/- 5.38   1.097% *  0.0583% (0.49   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  10.81 +/- 2.33   3.174% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    LEU   31  16.90 +/- 2.44   0.736% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.20 +/- 1.70   0.361% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  25.15 +/- 2.63   0.199% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.49 +/- 4.42   0.801% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.23 +/- 4.89   0.247% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.628, support = 7.22, residual support = 210.6:
          HG    LEU   31 - HN    LEU   31   2.34 +/- 0.58  66.074% * 64.0896% (0.64   7.68 231.47) =  90.298%  kept
          QD1   ILE   56 - HN    PHE   55   4.72 +/- 1.05  17.157% * 20.2320% (0.45   3.44  21.41) =   7.402%  kept
          QD2   LEU   73 - HN    LEU   31   6.83 +/- 2.90   7.180% * 14.9452% (0.78   1.47   1.44) =   2.288%  kept
          QG1   VAL   41 - HN    LEU   31   6.65 +/- 2.33   7.604% *  0.0426% (0.16   0.02   0.02) =   0.007%
          QD2   LEU   73 - HN    PHE   55  15.83 +/- 3.70   0.866% *  0.0990% (0.38   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LEU   31  18.51 +/- 2.87   0.304% *  0.2409% (0.92   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LEU   31  21.32 +/- 5.60   0.318% *  0.1670% (0.64   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  20.06 +/- 1.63   0.153% *  0.0815% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.40 +/- 3.35   0.131% *  0.0815% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.25 +/- 2.13   0.213% *  0.0208% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 6.89, residual support = 231.4:
          QD2   LEU   31 - HN    LEU   31   1.95 +/- 0.28  97.791% * 97.7478% (0.18   6.89 231.47) =  99.971%  kept
          QG2   VAL   43 - HN    LEU   31   9.67 +/- 2.50   1.830% *  1.4207% (0.92   0.02   0.02) =   0.027%
          QG2   VAL   43 - HN    PHE   55  15.06 +/- 1.12   0.256% *  0.6931% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    PHE   55  19.37 +/- 2.35   0.124% *  0.1384% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.665, support = 1.45, residual support = 1.19:
          QD1   LEU   73 - HN    LEU   31   6.69 +/- 3.62  29.646% * 41.8895% (0.60   1.85   1.44) =  69.265%  kept
          QD2   LEU   80 - HN    LEU   31  13.97 +/- 6.35   9.846% * 22.0233% (0.90   0.65   0.02) =  12.094%  kept
          QD1   LEU  104 - HN    LEU   31  13.17 +/- 3.28   8.590% * 21.9492% (0.92   0.63   0.02) =  10.516%  kept
          QD1   LEU   63 - HN    LEU   31  13.05 +/- 3.21  10.099% *  7.8990% (0.60   0.35   0.02) =   4.450%  kept
          QD2   LEU  115 - HN    PHE   55   8.38 +/- 2.11  14.938% *  3.7866% (0.43   0.23   5.76) =   3.155%  kept
          QG1   VAL   83 - HN    LEU   31  14.81 +/- 6.33   7.654% *  0.4541% (0.60   0.02   0.02) =   0.194%  kept
          QD2   LEU   80 - HN    PHE   55  17.88 +/- 4.16   7.955% *  0.3304% (0.44   0.02   0.02) =   0.147%  kept
          QD2   LEU  115 - HN    LEU   31  17.29 +/- 3.50   1.458% *  0.6640% (0.88   0.02   0.02) =   0.054%
          QD1   LEU   63 - HN    PHE   55  11.28 +/- 1.71   4.120% *  0.2215% (0.29   0.02   0.02) =   0.051%
          QD1   LEU   73 - HN    PHE   55  16.14 +/- 3.64   3.265% *  0.2215% (0.29   0.02   0.02) =   0.040%
          QG1   VAL   83 - HN    PHE   55  17.66 +/- 3.04   1.723% *  0.2215% (0.29   0.02   0.02) =   0.021%
          QD1   LEU  104 - HN    PHE   55  20.14 +/- 1.76   0.706% *  0.3394% (0.45   0.02   0.02) =   0.013%
    Distance limit 4.79 A violated in 0 structures by 0.29 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.667, support = 8.16, residual support = 51.1:
          HB3   GLN   30 - HN    LEU   31   2.90 +/- 0.22  77.236% * 88.0900% (0.68   8.24  51.62) =  98.235%  kept
          HB    ILE   56 - HN    PHE   55   5.71 +/- 0.60  11.882% * 10.1753% (0.17   3.77  21.41) =   1.746%  kept
          HB3   PRO   58 - HN    PHE   55   9.55 +/- 1.56   3.125% *  0.1408% (0.44   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    PHE   55  12.25 +/- 3.37   1.601% *  0.1246% (0.39   0.02   0.02) =   0.003%
          HB3   LYS+  38 - HN    LEU   31  12.61 +/- 1.01   1.058% *  0.1549% (0.49   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  18.73 +/- 6.18   0.929% *  0.1667% (0.53   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HN    LEU   31  14.62 +/- 4.18   1.382% *  0.1105% (0.35   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    LEU   31  22.42 +/- 3.96   0.292% *  0.2886% (0.91   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  23.46 +/- 2.76   0.180% *  0.2554% (0.81   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.22 +/- 3.03   0.961% *  0.0454% (0.14   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  23.14 +/- 3.24   0.193% *  0.1105% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.79 +/- 3.37   0.194% *  0.1043% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.07 +/- 5.43   0.350% *  0.0539% (0.17   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  32.90 +/- 7.40   0.118% *  0.0813% (0.26   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.31 +/- 1.48   0.414% *  0.0222% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  29.55 +/- 2.88   0.085% *  0.0756% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.549, support = 6.11, residual support = 42.9:
          HG2   GLN   30 - HN    LEU   31   4.84 +/- 0.23  48.706% * 68.8166% (0.49   7.51  51.62) =  73.051%  kept
          HB3   ASN   28 - HN    LEU   31   5.20 +/- 0.26  40.006% * 30.8939% (0.71   2.32  19.16) =  26.937%  kept
          QE    LYS+ 121 - HN    LEU   31  19.17 +/- 5.75   9.262% *  0.0472% (0.13   0.02   0.02) =   0.010%
          HG2   GLN   30 - HN    PHE   55  24.33 +/- 3.97   0.554% *  0.0894% (0.24   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    PHE   55  27.18 +/- 3.87   0.333% *  0.1299% (0.35   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    PHE   55  17.95 +/- 2.16   1.137% *  0.0230% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.08 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.61, residual support = 51.4:
      O   HA    GLN   30 - HN    LEU   31   3.59 +/- 0.04  54.823% * 98.0645% (0.64  10.0   6.63  51.62) =  99.642%  kept
          HB2   CYS   53 - HN    PHE   55   5.04 +/- 0.23  20.044% *  0.8731% (0.13   1.0   0.90   0.02) =   0.324%  kept
          HD3   PRO   52 - HN    PHE   55   6.63 +/- 0.44   9.101% *  0.0532% (0.35   1.0   0.02   0.29) =   0.009%
          HB    THR   39 - HN    LEU   31  10.18 +/- 2.06   3.726% *  0.1037% (0.68   1.0   0.02   0.02) =   0.007%
          QB    SER   13 - HN    LEU   31  14.40 +/- 4.20   3.394% *  0.1091% (0.71   1.0   0.02   0.02) =   0.007%
          HB3   SER   37 - HN    LEU   31  10.11 +/- 1.01   2.723% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    LEU   31  20.65 +/- 7.96   1.121% *  0.1399% (0.91   1.0   0.02   0.02) =   0.003%
          QB    SER   13 - HN    PHE   55  26.38 +/- 6.29   1.015% *  0.0532% (0.35   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    LEU   31  22.58 +/- 5.75   0.371% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    PHE   55  16.75 +/- 2.30   0.654% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.20 +/- 4.17   0.335% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  19.79 +/- 4.13   0.705% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.87 +/- 3.48   0.163% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.97 +/- 1.58   1.099% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.74 +/- 2.62   0.255% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.08 +/- 3.12   0.172% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.13 +/- 3.45   0.174% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.94 +/- 3.18   0.123% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 6.59, residual support = 169.0:
      O   HA    ARG+  54 - HN    ARG+  54   2.74 +/- 0.06  88.376% * 99.0002% (0.61  10.0   6.59 168.99) =  99.994%  kept
          HA    LEU  115 - HN    ARG+  54  13.47 +/- 1.99   0.982% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    ARG+  54  15.22 +/- 2.82   1.174% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.50 +/- 1.37   2.226% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62  10.43 +/- 2.10   2.784% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    ARG+  54  24.51 +/- 3.75   0.173% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  19.54 +/- 4.01   0.778% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  18.19 +/- 3.30   0.629% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.67 +/- 2.89   0.112% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.10 +/- 4.18   0.536% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.41 +/- 1.38   0.700% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.59 +/- 2.50   0.076% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  25.74 +/- 1.51   0.110% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.57 +/- 4.48   0.183% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.17 +/- 1.33   0.386% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.33 +/- 3.16   0.174% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.37 +/- 3.41   0.355% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  20.47 +/- 2.55   0.245% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.1, residual support = 85.7:
      O   HB2   TRP   49 - HN    TRP   49   3.49 +/- 0.29  83.294% * 99.6106% (0.98  10.0   4.10  85.70) =  99.980%  kept
          HA    ALA   84 - HN    TRP   49  11.45 +/- 3.05  14.375% *  0.1007% (0.99   1.0   0.02   0.02) =   0.017%
          HA2   GLY  109 - HN    TRP   49  15.56 +/- 2.77   1.501% *  0.0911% (0.90   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    TRP   49  21.32 +/- 1.65   0.433% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  22.40 +/- 2.10   0.396% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 15.9:
          QB    ALA   47 - HE1   TRP   49   2.88 +/- 1.16  73.347% * 98.5577% (1.00   2.53  15.94) =  99.807%  kept
          QG1   VAL   42 - HE1   TRP   49  14.37 +/- 3.14  15.179% *  0.7524% (0.97   0.02   0.02) =   0.158%  kept
          QB    ALA   64 - HE1   TRP   49  15.02 +/- 2.97   9.470% *  0.1543% (0.20   0.02   0.02) =   0.020%
          HG2   LYS+ 112 - HE1   TRP   49  14.86 +/- 4.34   2.004% *  0.5355% (0.69   0.02   0.02) =   0.015%
    Distance limit 4.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.72, residual support = 15.9:
          QB    ALA   47 - HN    TRP   49   2.58 +/- 0.24  97.325% * 99.0141% (1.00   3.72  15.94) =  99.991%  kept
          HG2   LYS+ 112 - HN    TRP   49  15.81 +/- 4.07   1.442% *  0.3661% (0.69   0.02   0.02) =   0.005%
          QG1   VAL   42 - HN    TRP   49  14.81 +/- 1.67   0.605% *  0.5143% (0.97   0.02   0.02) =   0.003%
          QB    ALA   64 - HN    TRP   49  14.54 +/- 1.86   0.629% *  0.1055% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 0.879, support = 0.179, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.23 +/- 2.08  50.266% * 73.1587% (0.90   0.19   0.02) =  93.936%  kept
          HD3   PRO   52 - HN    ALA   47   7.41 +/- 2.07  27.815% *  3.5463% (0.41   0.02   0.02) =   2.520%  kept
          HA    VAL   83 - HN    ALA   47  14.47 +/- 2.65  11.261% *  6.2638% (0.73   0.02   0.02) =   1.802%  kept
          HD2   PRO   58 - HN    ALA   47  11.88 +/- 2.34   8.035% *  6.9072% (0.80   0.02   0.02) =   1.418%  kept
          HA    GLN   30 - HN    ALA   47  22.58 +/- 2.60   1.634% *  4.1987% (0.49   0.02   0.02) =   0.175%  kept
          HA    GLU- 100 - HN    ALA   47  25.42 +/- 1.55   0.990% *  5.9253% (0.69   0.02   0.02) =   0.150%  kept
    Distance limit 4.45 A violated in 5 structures by 0.82 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 = 3.12, residual support = 39.5:
      O   HB2   ASP-  44 - HN    ASP-  44   2.87 +/- 0.45  86.269% * 96.1957% (0.87  10.0   3.13  39.59) =  99.663%  kept
          HB3   PHE   72 - HN    ASP-  44   7.54 +/- 1.72   8.270% *  3.3545% (0.76   1.0   0.79   0.02) =   0.333%  kept
          QG    GLU-  14 - HN    ASP-  44  16.32 +/- 2.19   0.754% *  0.0926% (0.84   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  16.25 +/- 2.56   0.663% *  0.1049% (0.95   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  44  14.68 +/- 1.93   0.875% *  0.0762% (0.69   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  12.12 +/- 1.54   1.486% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ASP-  44  22.06 +/- 3.53   0.367% *  0.0995% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.65 +/- 1.45   1.002% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.60 +/- 1.69   0.312% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.863, support = 2.61, residual support = 4.51:
          HB2   LEU   73 - HN    ASP-  44   7.19 +/- 2.40  30.445% * 94.2493% (0.87   2.65   4.58) =  98.488%  kept
          QD    LYS+ 106 - HN    ASP-  44  10.90 +/- 2.14  14.778% *  0.8044% (0.98   0.02   0.02) =   0.408%  kept
          HB    ILE   89 - HN    ASP-  44  12.94 +/- 3.17   7.389% *  1.4649% (0.15   0.23   0.02) =   0.372%  kept
          QG1   ILE   56 - HN    ASP-  44  10.51 +/- 1.78  13.354% *  0.4978% (0.61   0.02   0.02) =   0.228%  kept
          HB3   MET   92 - HN    ASP-  44  12.26 +/- 1.21   6.582% *  0.5959% (0.73   0.02   0.02) =   0.135%  kept
          QD    LYS+  99 - HN    ASP-  44  14.02 +/- 1.43   4.735% *  0.8134% (0.99   0.02   0.02) =   0.132%  kept
          HG3   PRO   93 - HN    ASP-  44  11.20 +/- 1.36   8.645% *  0.2533% (0.31   0.02   0.02) =   0.075%
          HB3   LYS+  99 - HN    ASP-  44  14.45 +/- 1.18   4.488% *  0.3995% (0.49   0.02   0.02) =   0.062%
          HD2   LYS+ 111 - HN    ASP-  44  17.04 +/- 2.34   3.521% *  0.4978% (0.61   0.02   0.02) =   0.060%
          HB2   LEU  123 - HN    ASP-  44  18.57 +/- 1.96   2.251% *  0.2799% (0.34   0.02   0.02) =   0.022%
          QD    LYS+ 102 - HN    ASP-  44  15.61 +/- 1.85   3.809% *  0.1437% (0.18   0.02   0.02) =   0.019%
    Distance limit 4.58 A violated in 14 structures by 1.88 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.615, support = 1.01, residual support = 4.17:
          HB2   LYS+  74 - HN    ASP-  44   6.86 +/- 0.89  30.103% * 43.7251% (0.65   1.16   5.17) =  58.795%  kept
          HD3   LYS+  74 - HN    ASP-  44   7.41 +/- 1.29  24.957% * 19.5894% (0.28   1.21   5.17) =  21.839%  kept
          QD    LYS+  66 - HN    ASP-  44  12.28 +/- 3.18  14.816% * 20.8159% (0.90   0.40   0.02) =  13.776%  kept
          HG2   LYS+  65 - HN    ASP-  44  11.64 +/- 2.50   8.814% * 12.3698% (0.95   0.22   0.02) =   4.870%  kept
          QG2   THR   26 - HN    ASP-  44  11.90 +/- 1.74   7.783% *  1.0435% (0.90   0.02   0.02) =   0.363%  kept
          HD2   LYS+ 121 - HN    ASP-  44  15.33 +/- 2.18   2.866% *  1.1405% (0.98   0.02   0.02) =   0.146%  kept
          HG    LEU  104 - HN    ASP-  44  14.10 +/- 1.57   3.966% *  0.4783% (0.41   0.02   0.02) =   0.085%
          HB3   LYS+ 121 - HN    ASP-  44  14.84 +/- 2.37   3.413% *  0.4783% (0.41   0.02   0.02) =   0.073%
          HB3   LYS+ 111 - HN    ASP-  44  15.30 +/- 1.80   3.282% *  0.3591% (0.31   0.02   0.02) =   0.053%
    Distance limit 4.73 A violated in 8 structures by 1.18 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.93, residual support = 39.6:
      O   HB3   ASP-  44 - HN    ASP-  44   3.10 +/- 0.54  61.900% * 99.1884% (0.99  10.0   3.93  39.59) =  99.948%  kept
          HB2   LEU   63 - HN    ASP-  44   7.53 +/- 2.98  20.432% *  0.0947% (0.95   1.0   0.02   0.02) =   0.031%
          HB3   PRO   93 - HN    ASP-  44   8.96 +/- 1.32   5.389% *  0.0836% (0.84   1.0   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    ASP-  44  10.40 +/- 2.15   2.947% *  0.0947% (0.95   1.0   0.02   0.02) =   0.005%
          QB    ALA   84 - HN    ASP-  44  11.48 +/- 1.42   1.524% *  0.0868% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ASP-  44  12.81 +/- 3.58   1.501% *  0.0868% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ASP-  44  13.77 +/- 2.14   1.131% *  0.0727% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ASP-  44  11.52 +/- 2.16   1.892% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  18.85 +/- 2.01   0.400% *  0.0992% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  16.70 +/- 1.82   0.563% *  0.0647% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  15.63 +/- 1.52   0.688% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  14.74 +/- 2.54   0.798% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.41 +/- 0.97   0.364% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.68 +/- 1.69   0.472% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 4.77, residual support = 16.3:
          QG1   VAL   43 - HN    ASP-  44   4.01 +/- 0.73  53.919% * 91.6852% (0.90   4.85  16.57) =  98.293%  kept
          QG1   VAL   41 - HN    ASP-  44   8.47 +/- 1.26   9.000% *  5.1079% (0.73   0.33   0.02) =   0.914%  kept
          QG2   THR   46 - HN    ASP-  44   6.74 +/- 1.11  15.413% *  2.1249% (0.99   0.10   0.02) =   0.651%  kept
          QG2   VAL   18 - HN    ASP-  44   9.64 +/- 4.42  11.261% *  0.4207% (1.00   0.02   0.02) =   0.094%
          QD1   ILE   19 - HN    ASP-  44  10.55 +/- 2.39   4.598% *  0.3222% (0.76   0.02   0.02) =   0.029%
          QD2   LEU  104 - HN    ASP-  44  12.13 +/- 1.46   2.556% *  0.2557% (0.61   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    ASP-  44  12.06 +/- 2.50   3.253% *  0.0834% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.642, support = 3.88, residual support = 16.4:
          QG2   VAL   43 - HN    ASP-  44   3.42 +/- 0.45  79.085% * 88.2681% (0.65   3.91  16.57) =  98.837%  kept
          QG2   VAL   83 - HN    ASP-  44   9.72 +/- 2.44   7.465% *  6.6491% (0.31   0.62   0.02) =   0.703%  kept
          QD1   ILE   89 - HN    ASP-  44   9.55 +/- 2.32   6.307% *  4.5500% (0.14   0.96   0.02) =   0.406%  kept
          QD2   LEU   31 - HN    ASP-  44   9.16 +/- 1.84   7.143% *  0.5328% (0.76   0.02   0.02) =   0.054%
    Distance limit 3.53 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.52, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.00 +/- 0.38  76.361% * 36.5033% (0.53   0.02   0.02) =  79.190%  kept
          HA    ASP-  78 - HN    VAL   43  15.64 +/- 1.42  10.949% * 42.0822% (0.61   0.02   0.02) =  13.090%  kept
          HA    THR   23 - HN    VAL   43  15.58 +/- 2.30  12.689% * 21.4145% (0.31   0.02   0.02) =   7.720%  kept
    Distance limit 4.62 A violated in 20 structures by 3.31 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 = 16.3:
          HA    MET   96 - HN    VAL   43   4.71 +/- 0.72 100.000% *100.0000% (0.53   1.50  16.27) = 100.000%  kept
    Distance limit 4.62 A violated in 2 structures by 0.28 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 2.95, residual support = 16.2:
          HB2   MET   96 - HN    VAL   43   3.00 +/- 1.19  79.910% * 94.0442% (0.97   2.96  16.27) =  99.689%  kept
          HB3   ASP-  76 - HN    VAL   43  12.98 +/- 1.70   4.445% *  3.7792% (0.49   0.24   0.02) =   0.223%  kept
          HB    VAL   70 - HN    VAL   43   9.16 +/- 1.60   5.562% *  0.5911% (0.90   0.02   0.02) =   0.044%
          QG    GLN   17 - HN    VAL   43  14.81 +/- 2.79   2.077% *  0.5505% (0.84   0.02   0.02) =   0.015%
          HB2   ASP- 105 - HN    VAL   43   9.74 +/- 0.86   4.884% *  0.1832% (0.28   0.02   0.02) =   0.012%
          HB2   GLU-  25 - HN    VAL   43  18.03 +/- 2.11   1.407% *  0.4786% (0.73   0.02   0.02) =   0.009%
          HG2   GLU- 100 - HN    VAL   43  13.64 +/- 1.40   1.716% *  0.3731% (0.57   0.02   0.02) =   0.008%
    Distance limit 4.66 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 61.3:
      O   HB    VAL   43 - HN    VAL   43   2.86 +/- 0.47  94.677% * 99.7821% (0.87  10.0   4.22  61.29) =  99.997%  kept
          HB2   LYS+  99 - HN    VAL   43  10.27 +/- 1.30   2.599% *  0.0879% (0.76   1.0   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    VAL   43  18.14 +/- 2.22   0.562% *  0.0921% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    VAL   43  14.48 +/- 3.47   1.413% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  16.46 +/- 2.70   0.749% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.809, support = 4.92, residual support = 34.0:
          HB    VAL   42 - HN    VAL   43   4.38 +/- 0.32  26.396% * 67.8733% (0.84   5.68  39.86) =  81.894%  kept
          HB3   LEU   73 - HN    VAL   43   8.36 +/- 3.11  14.050% * 18.5592% (0.90   1.45   6.06) =  11.920%  kept
          HB3   ASP-  44 - HN    VAL   43   6.40 +/- 0.70   9.569% *  8.5898% (0.25   2.41  16.57) =   3.757%  kept
          HG    LEU   98 - HN    VAL   43   6.77 +/- 2.35  16.205% *  2.1590% (0.49   0.31   0.02) =   1.599%  kept
          QB    LEU   98 - HN    VAL   43   5.85 +/- 1.46  16.122% *  0.9116% (0.18   0.36   0.02) =   0.672%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.25 +/- 2.07   5.461% *  0.2855% (1.00   0.02   0.02) =   0.071%
          HB3   PRO   93 - HN    VAL   43  10.76 +/- 1.36   2.416% *  0.1851% (0.65   0.02   0.02) =   0.020%
          HG3   LYS+  65 - HN    VAL   43  13.49 +/- 2.76   1.357% *  0.2390% (0.84   0.02   0.02) =   0.015%
          HG3   LYS+ 102 - HN    VAL   43  13.80 +/- 2.02   0.938% *  0.2641% (0.92   0.02   0.02) =   0.011%
          HB2   LYS+ 112 - HN    VAL   43  15.73 +/- 2.22   0.714% *  0.2761% (0.97   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    VAL   43   9.30 +/- 2.19   3.901% *  0.0501% (0.18   0.02   0.02) =   0.009%
          QB    ALA   84 - HN    VAL   43  13.24 +/- 2.01   1.122% *  0.1736% (0.61   0.02   0.02) =   0.009%
          HG3   LYS+  33 - HN    VAL   43  14.49 +/- 1.72   0.877% *  0.2187% (0.76   0.02   0.02) =   0.009%
          QB    ALA  124 - HN    VAL   43  18.04 +/- 2.83   0.437% *  0.1074% (0.38   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    VAL   43  19.34 +/- 2.74   0.435% *  0.1074% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.63 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 = 5.26, residual support = 59.0:
          QG1   VAL   43 - HN    VAL   43   2.42 +/- 0.68  79.656% * 69.3244% (0.90   5.36  61.29) =  96.261%  kept
          QG1   VAL   41 - HN    VAL   43   6.38 +/- 0.59   7.146% * 29.6492% (0.73   2.83   1.42) =   3.693%  kept
          QD2   LEU  104 - HN    VAL   43   8.80 +/- 1.52   5.072% *  0.1750% (0.61   0.02   0.02) =   0.015%
          QG2   THR   46 - HN    VAL   43   9.80 +/- 1.04   2.779% *  0.2860% (0.99   0.02   0.02) =   0.014%
          QD1   ILE   19 - HN    VAL   43  10.92 +/- 1.99   2.070% *  0.2205% (0.76   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    VAL   43  11.34 +/- 3.18   1.270% *  0.2879% (1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    VAL   43  10.95 +/- 2.88   2.008% *  0.0571% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.693, support = 2.01, residual support = 1.93:
          QG2   VAL   41 - HN    VAL   43   5.17 +/- 0.78  21.049% * 82.1607% (0.73   2.24   1.42) =  86.628%  kept
          QD1   LEU   73 - HN    VAL   43   7.73 +/- 2.43  15.461% * 14.9943% (0.45   0.66   6.06) =  11.613%  kept
          QD2   LEU   63 - HN    VAL   43   7.47 +/- 2.09  13.154% *  0.9923% (0.98   0.02   0.02) =   0.654%  kept
          QD2   LEU   98 - HN    VAL   43   5.60 +/- 2.07  24.070% *  0.5326% (0.53   0.02   0.02) =   0.642%  kept
          QD1   LEU   63 - HN    VAL   43   7.08 +/- 2.02  11.575% *  0.4539% (0.45   0.02   0.02) =   0.263%  kept
          QD1   LEU   80 - HN    VAL   43  13.21 +/- 4.31   4.166% *  0.5326% (0.53   0.02   0.02) =   0.111%  kept
          QD2   LEU  115 - HN    VAL   43  10.12 +/- 1.99   6.741% *  0.1773% (0.18   0.02   0.02) =   0.060%
          QD2   LEU   80 - HN    VAL   43  12.25 +/- 4.00   3.786% *  0.1562% (0.15   0.02   0.02) =   0.030%
    Distance limit 4.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 5.09, residual support = 39.8:
          QG1   VAL   42 - HN    VAL   43   2.95 +/- 0.45  88.590% * 97.8738% (0.97   5.10  39.86) =  99.839%  kept
          QB    ALA   64 - HN    VAL   43   7.47 +/- 1.41   9.073% *  1.4564% (0.20   0.37   0.02) =   0.152%  kept
          QB    ALA   47 - HN    VAL   43  12.83 +/- 1.05   1.265% *  0.3967% (1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    VAL   43  15.47 +/- 2.75   1.073% *  0.2731% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.861, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   8.32 +/- 2.57  46.885% * 27.6841% (0.73   0.02   0.02) =  40.315%  kept
          QG2   VAL   83 - HN    VAL   43  10.81 +/- 3.29  26.839% * 38.1246% (1.00   0.02   0.02) =  31.781%  kept
          QD1   ILE   89 - HN    VAL   43  10.45 +/- 2.74  26.276% * 34.1913% (0.90   0.02   0.02) =  27.904%  kept
    Distance limit 4.10 A violated in 17 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.955, support = 5.96, residual support = 28.6:
          HB    VAL   41 - HN    VAL   42   3.61 +/- 0.76  50.071% * 94.3640% (0.97   6.02  28.96) =  98.704%  kept
          HB2   LEU   71 - HN    VAL   42   7.69 +/- 2.54  14.929% *  3.8382% (0.22   1.06   0.89) =   1.197%  kept
          HG12  ILE  103 - HN    VAL   42   9.17 +/- 1.87   4.286% *  0.3248% (1.00   0.02   0.02) =   0.029%
          QB    LYS+  65 - HN    VAL   42  10.10 +/- 3.24  15.658% *  0.0810% (0.25   0.02   0.02) =   0.026%
          QB    LYS+  66 - HN    VAL   42  10.28 +/- 2.69   3.146% *  0.2713% (0.84   0.02   0.02) =   0.018%
          QB    LYS+ 102 - HN    VAL   42  12.19 +/- 2.18   2.320% *  0.1108% (0.34   0.02   0.02) =   0.005%
          HG    LEU  123 - HN    VAL   42  16.83 +/- 2.99   0.789% *  0.2913% (0.90   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    VAL   42  15.64 +/- 1.69   1.020% *  0.1839% (0.57   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    VAL   42  11.49 +/- 1.99   2.890% *  0.0643% (0.20   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    VAL   42  11.86 +/- 1.59   1.707% *  0.0723% (0.22   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    VAL   42  11.04 +/- 0.99   2.441% *  0.0501% (0.15   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   42  21.25 +/- 1.93   0.304% *  0.2913% (0.90   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  19.79 +/- 2.91   0.440% *  0.0569% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.977, support = 6.18, residual support = 89.1:
      O   HB    VAL   42 - HN    VAL   42   2.89 +/- 0.43  52.843% * 91.4844% (0.98  10.0   6.25  90.28) =  98.679%  kept
          HB3   LEU   73 - HN    VAL   42   7.97 +/- 2.40   7.637% *  4.1915% (0.95   1.0   0.95   0.19) =   0.653%  kept
          QB    LEU   98 - HN    VAL   42   6.40 +/- 1.87   8.426% *  3.7000% (0.57   1.0   1.40   0.41) =   0.636%  kept
          HG3   LYS+  65 - HN    VAL   42  11.93 +/- 3.27   9.213% *  0.0915% (0.98   1.0   0.02   0.02) =   0.017%
          HB3   LYS+  74 - HN    VAL   42   9.35 +/- 1.82   8.069% *  0.0288% (0.31   1.0   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    VAL   42  11.45 +/- 1.50   1.045% *  0.0931% (1.00   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    VAL   42   7.15 +/- 2.44   7.703% *  0.0126% (0.14   1.0   0.02   0.41) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  11.36 +/- 1.78   1.073% *  0.0713% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    VAL   42  14.68 +/- 2.53   0.556% *  0.0862% (0.92   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  17.03 +/- 2.59   0.377% *  0.0780% (0.84   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  14.19 +/- 4.22   0.998% *  0.0259% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   42  17.44 +/- 2.65   0.309% *  0.0810% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   42  13.43 +/- 1.71   0.738% *  0.0208% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  16.04 +/- 3.72   0.578% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  15.57 +/- 1.92   0.436% *  0.0185% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 1.22, residual support = 1.73:
          QD1   LEU   40 - HN    VAL   42   4.74 +/- 0.80  68.910% * 97.9002% (0.98   1.22   1.74) =  99.423%  kept
          QD2   LEU   67 - HN    VAL   42   7.73 +/- 1.70  28.202% *  1.3059% (0.80   0.02   0.02) =   0.543%  kept
          QG1   VAL  108 - HN    VAL   42  14.02 +/- 1.06   2.888% *  0.7939% (0.49   0.02   0.02) =   0.034%
    Distance limit 4.58 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.815, support = 5.26, residual support = 34.6:
          QG1   VAL   43 - HN    VAL   42   4.50 +/- 1.07  35.570% * 53.2916% (0.90   5.11  39.86) =  52.265%  kept
          QG1   VAL   41 - HN    VAL   42   4.17 +/- 0.35  37.643% * 45.8814% (0.73   5.44  28.96) =  47.620%  kept
          QD1   ILE   19 - HN    VAL   42   8.37 +/- 2.38  10.220% *  0.1776% (0.76   0.02   0.02) =   0.050%
          QG2   VAL   18 - HN    VAL   42   9.78 +/- 3.12   4.216% *  0.2319% (1.00   0.02   0.02) =   0.027%
          QD2   LEU  104 - HN    VAL   42   9.04 +/- 1.66   4.708% *  0.1410% (0.61   0.02   0.02) =   0.018%
          QG2   THR   46 - HN    VAL   42  11.43 +/- 1.24   2.069% *  0.2304% (0.99   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    VAL   42   9.63 +/- 2.56   5.574% *  0.0460% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.719, support = 5.86, residual support = 28.1:
          QG2   VAL   41 - HN    VAL   42   3.45 +/- 0.37  46.432% * 89.4204% (0.73   6.02  28.96) =  96.968%  kept
          QD1   LEU   73 - HN    VAL   42   7.24 +/- 2.03  11.231% *  5.6373% (0.45   0.62   0.19) =   1.479%  kept
          QD2   LEU   98 - HN    VAL   42   6.01 +/- 2.24  14.719% *  4.0084% (0.53   0.37   0.41) =   1.378%  kept
          QD2   LEU   63 - HN    VAL   42   6.85 +/- 1.72  13.469% *  0.4008% (0.98   0.02   0.02) =   0.126%  kept
          QD1   LEU   63 - HN    VAL   42   6.96 +/- 1.76   8.336% *  0.1833% (0.45   0.02   0.02) =   0.036%
          QD1   LEU   80 - HN    VAL   42  14.56 +/- 4.16   1.316% *  0.2151% (0.53   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    VAL   42  10.91 +/- 2.26   2.879% *  0.0716% (0.18   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    VAL   42  13.39 +/- 3.87   1.616% *  0.0631% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 90.3:
          QG1   VAL   42 - HN    VAL   42   3.58 +/- 0.43  97.248% * 99.2609% (0.87   5.46  90.28) =  99.990%  kept
          HG2   LYS+ 112 - HN    VAL   42  17.27 +/- 2.92   1.199% *  0.4185% (1.00   0.02   0.02) =   0.005%
          QB    ALA   47 - HN    VAL   42  15.03 +/- 1.13   1.553% *  0.3205% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.45 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 = 5.14, residual support = 85.5:
          QG2   VAL   42 - HN    VAL   42   2.99 +/- 0.60  50.855% * 87.5047% (0.61   5.38  90.28) =  94.684%  kept
          QG2   VAL   70 - HN    VAL   42   4.03 +/- 1.86  38.794% *  4.2372% (0.14   1.17   0.48) =   3.497%  kept
          QG2   VAL   75 - HN    VAL   42   7.08 +/- 1.89  10.351% *  8.2581% (0.45   0.69   0.02) =   1.819%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.896, support = 4.68, residual support = 75.8:
      O   HB    VAL   41 - HN    VAL   41   3.31 +/- 0.39  57.984% * 98.6354% (0.90  10.0   4.69  75.96) =  99.812%  kept
          HB2   LEU   71 - HN    VAL   41   8.08 +/- 3.11  10.609% *  0.7882% (0.61   1.0   0.24   0.81) =   0.146%  kept
          QB    LYS+  65 - HN    VAL   41  12.29 +/- 3.80  15.618% *  0.0711% (0.65   1.0   0.02   0.02) =   0.019%
          HG12  ILE  103 - HN    VAL   41   8.57 +/- 2.72   6.674% *  0.0841% (0.76   1.0   0.02   0.02) =   0.010%
          QB    LYS+ 102 - HN    VAL   41  10.03 +/- 3.35   5.131% *  0.0841% (0.76   1.0   0.02   0.02) =   0.008%
          QB    LYS+  66 - HN    VAL   41  12.01 +/- 2.58   2.118% *  0.1090% (0.99   1.0   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    VAL   41  18.67 +/- 1.73   0.380% *  0.1040% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  17.08 +/- 3.87   0.558% *  0.0535% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   41  15.18 +/- 2.80   0.766% *  0.0170% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.36 +/- 1.73   0.161% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.185, support = 4.26, residual support = 20.2:
          HG    LEU   40 - HN    VAL   41   3.66 +/- 0.70  56.570% * 73.0966% (0.18   4.37  20.73) =  97.420%  kept
          HG    LEU   73 - HN    VAL   41  10.67 +/- 2.15   4.923% * 12.8504% (0.61   0.22   0.02) =   1.491%  kept
          QG    LYS+  66 - HN    VAL   41  12.75 +/- 2.98   6.543% *  1.5308% (0.80   0.02   0.02) =   0.236%  kept
          HB3   LEU   67 - HN    VAL   41   9.84 +/- 1.91   5.456% *  1.8085% (0.95   0.02   0.02) =   0.232%  kept
          HG12  ILE   19 - HN    VAL   41  10.90 +/- 2.93   4.503% *  1.7145% (0.90   0.02   0.02) =   0.182%  kept
          HG2   LYS+ 102 - HN    VAL   41  11.72 +/- 3.89   4.086% *  0.9306% (0.49   0.02   0.02) =   0.090%
          QB    ALA   61 - HN    VAL   41  12.84 +/- 1.95   1.977% *  1.9075% (1.00   0.02   0.11) =   0.089%
          HD3   LYS+ 121 - HN    VAL   41  14.03 +/- 5.32   5.457% *  0.6521% (0.34   0.02   0.02) =   0.084%
          QB    ALA  110 - HN    VAL   41  16.96 +/- 1.96   0.981% *  1.8085% (0.95   0.02   0.02) =   0.042%
          HB3   LEU  115 - HN    VAL   41  13.91 +/- 2.93   4.941% *  0.3348% (0.18   0.02   0.02) =   0.039%
          HB3   LYS+  74 - HN    VAL   41  12.93 +/- 2.08   2.796% *  0.5901% (0.31   0.02   0.02) =   0.039%
          HG    LEU   80 - HN    VAL   41  19.22 +/- 5.21   0.856% *  1.8450% (0.97   0.02   0.02) =   0.037%
          HB2   LEU   80 - HN    VAL   41  18.84 +/- 4.29   0.909% *  0.9306% (0.49   0.02   0.02) =   0.020%
    Distance limit 3.71 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 1.48, residual support = 6.21:
          QB    ALA   34 - HN    VAL   41   5.25 +/- 1.21  43.397% * 73.0276% (0.90   1.51   7.84) =  78.413%  kept
          QG2   THR   39 - HN    VAL   41   5.52 +/- 0.97  39.150% * 21.4728% (0.28   1.43   0.30) =  20.800%  kept
          HG3   LYS+  38 - HN    VAL   41  10.01 +/- 1.21   8.488% *  3.1039% (0.53   0.11   0.02) =   0.652%  kept
          QG2   THR   23 - HN    VAL   41  15.63 +/- 1.99   2.299% *  1.0706% (0.99   0.02   0.02) =   0.061%
          QG2   ILE   56 - HN    VAL   41  15.60 +/- 2.01   2.390% *  0.7843% (0.73   0.02   0.02) =   0.046%
          QG2   THR   77 - HN    VAL   41  14.13 +/- 1.38   3.008% *  0.2405% (0.22   0.02   0.02) =   0.018%
          QB    ALA   91 - HN    VAL   41  17.81 +/- 1.57   1.268% *  0.3003% (0.28   0.02   0.02) =   0.009%
    Distance limit 4.40 A violated in 1 structures by 0.28 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 4.62, residual support = 20.6:
          QD2   LEU   40 - HN    VAL   41   2.70 +/- 0.71  68.023% * 92.0575% (0.92   4.65  20.73) =  99.269%  kept
          QD2   LEU   71 - HN    VAL   41   7.42 +/- 2.11   6.101% *  6.1657% (0.65   0.44   0.81) =   0.596%  kept
          QG2   ILE  103 - HN    VAL   41   8.51 +/- 2.11   7.898% *  0.4251% (0.99   0.02   0.02) =   0.053%
          QD1   LEU   67 - HN    VAL   41   7.82 +/- 1.94   6.296% *  0.4057% (0.95   0.02   0.02) =   0.040%
          QD1   ILE  103 - HN    VAL   41   8.15 +/- 2.28   7.699% *  0.2256% (0.53   0.02   0.02) =   0.028%
          HG3   LYS+  74 - HN    VAL   41  13.98 +/- 2.41   0.921% *  0.4279% (1.00   0.02   0.02) =   0.006%
          QG2   ILE  119 - HN    VAL   41  13.06 +/- 2.41   1.585% *  0.1463% (0.34   0.02   0.02) =   0.004%
          HB    VAL   75 - HN    VAL   41  11.70 +/- 1.30   1.477% *  0.1463% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.51, residual support = 75.5:
          QG1   VAL   41 - HN    VAL   41   2.37 +/- 0.49  75.022% * 92.1583% (1.00   4.53  75.96) =  99.438%  kept
          QG1   VAL   43 - HN    VAL   41   6.68 +/- 1.06   5.570% *  6.5427% (0.95   0.34   1.42) =   0.524%  kept
          QD2   LEU  104 - HN    VAL   41   6.93 +/- 2.25   9.910% *  0.0805% (0.20   0.02   0.02) =   0.011%
          QD2   LEU   73 - HN    VAL   41   8.22 +/- 1.68   3.351% *  0.1823% (0.45   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    VAL   41   9.62 +/- 2.48   2.002% *  0.2466% (0.61   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    VAL   41   9.27 +/- 2.56   2.398% *  0.1255% (0.31   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    VAL   41  11.75 +/- 2.07   0.810% *  0.3107% (0.76   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    VAL   41  14.55 +/- 1.24   0.517% *  0.2630% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  14.89 +/- 1.95   0.422% *  0.0905% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.701, support = 3.99, residual support = 69.9:
          QG2   VAL   41 - HN    VAL   41   3.32 +/- 0.72  50.202% * 80.2619% (0.73   4.35  75.96) =  87.993%  kept
          QD2   LEU   98 - HN    VAL   41   5.11 +/- 2.73  29.662% * 18.3496% (0.53   1.37  25.77) =  11.886%  kept
          QD2   LEU   63 - HN    VAL   41   8.56 +/- 1.56   5.429% *  0.4981% (0.98   0.02   0.02) =   0.059%
          QD1   LEU   63 - HN    VAL   41   8.88 +/- 1.49   5.586% *  0.2278% (0.45   0.02   0.02) =   0.028%
          QD1   LEU   73 - HN    VAL   41   9.36 +/- 1.67   4.244% *  0.2278% (0.45   0.02   0.02) =   0.021%
          QD1   LEU   80 - HN    VAL   41  16.87 +/- 4.67   0.977% *  0.2673% (0.53   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    VAL   41  12.77 +/- 2.56   2.822% *  0.0890% (0.18   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    VAL   41  15.64 +/- 4.38   1.077% *  0.0784% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.30 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 = 2.59:
          QG2   VAL   70 - HN    VAL   41   4.79 +/- 1.78  71.938% * 98.3952% (0.18   2.63   2.61) =  99.368%  kept
          QG2   THR  118 - HN    VAL   41   9.58 +/- 2.85  28.062% *  1.6048% (0.38   0.02   0.02) =   0.632%  kept
    Distance limit 4.93 A violated in 2 structures by 0.43 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.693, support = 1.3, residual support = 13.4:
          HB2   SER   37 - HN    LEU   40   6.22 +/- 0.45  33.191% * 51.9611% (0.92   1.15   0.70) =  52.747%  kept
          HA    VAL   70 - HN    LEU   40   5.49 +/- 3.04  49.863% * 23.9472% (0.28   1.76  35.75) =  36.520%  kept
          HA1   GLY   16 - HN    LEU   40  12.49 +/- 5.75  14.708% * 23.8197% (0.98   0.50   0.02) =  10.715%  kept
          HA    GLN  116 - HN    LEU   40  17.81 +/- 3.18   2.238% *  0.2720% (0.28   0.02   0.02) =   0.019%
    Distance limit 4.64 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.98, residual support = 23.2:
          HB    THR   39 - HN    LEU   40   3.86 +/- 0.61  74.890% * 83.4366% (0.41   4.10  24.03) =  96.520%  kept
          HB3   SER   37 - HN    LEU   40   7.46 +/- 0.82  17.393% * 12.6162% (0.28   0.92   0.70) =   3.390%  kept
          HA    GLN   30 - HN    LEU   40  11.04 +/- 1.85   4.492% *  0.9375% (0.95   0.02   0.02) =   0.065%
          QB    SER   13 - HN    LEU   40  15.55 +/- 3.91   1.822% *  0.4443% (0.45   0.02   0.02) =   0.013%
          HB3   SER   82 - HN    LEU   40  25.52 +/- 3.52   0.347% *  0.7574% (0.76   0.02   0.02) =   0.004%
          HB2   CYS   53 - HN    LEU   40  22.78 +/- 2.33   0.445% *  0.5611% (0.57   0.02   0.02) =   0.004%
          HD3   PRO   52 - HN    LEU   40  27.39 +/- 2.08   0.234% *  0.9714% (0.98   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   40  24.61 +/- 3.42   0.377% *  0.2755% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.59 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 = 0.475, support = 0.834, residual support = 6.43:
          QE    LYS+  99 - HN    LEU   40   6.49 +/- 4.38  48.011% * 47.2088% (0.57   0.66   9.75) =  63.230%  kept
          QE    LYS+  38 - HN    LEU   40   7.05 +/- 1.64  28.588% * 45.1110% (0.31   1.16   0.72) =  35.977%  kept
          HB2   PHE   97 - HN    LEU   40  11.30 +/- 2.01   4.723% *  2.4373% (0.97   0.02   1.37) =   0.321%  kept
          HB3   TRP   27 - HN    LEU   40  13.83 +/- 2.31   3.353% *  2.4755% (0.98   0.02   0.02) =   0.232%  kept
          QE    LYS+ 102 - HN    LEU   40  13.77 +/- 4.11  11.976% *  0.3897% (0.15   0.02   0.02) =   0.130%  kept
          QE    LYS+ 106 - HN    LEU   40  15.77 +/- 1.81   1.640% *  1.4298% (0.57   0.02   0.02) =   0.065%
          HB3   PHE   60 - HN    LEU   40  16.29 +/- 2.62   1.710% *  0.9479% (0.38   0.02   0.02) =   0.045%
    Distance limit 4.82 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 = 4.94, residual support = 101.9:
      O   HB2   LEU   40 - HN    LEU   40   2.63 +/- 0.43  96.848% * 99.7221% (0.97  10.0   4.94 101.88) =  99.998%  kept
          HB3   MET   96 - HN    LEU   40  13.41 +/- 1.49   1.091% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    LEU   40  16.16 +/- 4.00   0.628% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  13.95 +/- 3.78   1.020% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.86 +/- 4.66   0.236% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  25.21 +/- 3.47   0.177% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.64, support = 4.94, residual support = 101.9:
      O   HB3   LEU   40 - HN    LEU   40   2.63 +/- 0.46  70.008% * 68.7833% (0.61  10.0   4.83 101.88) =  89.291%  kept
          HG    LEU   40 - HN    LEU   40   4.28 +/- 0.29  18.824% * 30.6474% (0.92   1.0   5.86 101.88) =  10.697%  kept
          HG    LEU   67 - HN    LEU   40  10.11 +/- 1.98   1.636% *  0.1112% (0.98   1.0   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    LEU   40  14.57 +/- 3.75   1.041% *  0.0947% (0.84   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    LEU   40  14.32 +/- 4.49   1.521% *  0.0642% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LEU   40   9.28 +/- 2.34   3.826% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  16.38 +/- 3.11   0.621% *  0.1047% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LEU   40  12.29 +/- 2.09   1.206% *  0.0508% (0.45   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  17.91 +/- 2.91   0.369% *  0.0947% (0.84   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   40  12.42 +/- 2.27   0.949% *  0.0315% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 0.472, support = 3.18, residual support = 15.5:
          QG2   THR   39 - HN    LEU   40   3.06 +/- 0.70  67.037% * 29.7807% (0.28   4.00  24.03) =  63.895%  kept
          QB    ALA   34 - HN    LEU   40   5.42 +/- 1.25  22.686% * 38.8878% (0.90   1.62   0.45) =  28.235%  kept
          HG3   LYS+  38 - HN    LEU   40   7.40 +/- 1.18   8.137% * 30.1434% (0.53   2.14   0.72) =   7.850%  kept
          QG2   THR   23 - HN    LEU   40  16.90 +/- 2.08   0.561% *  0.5309% (0.99   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    LEU   40  17.43 +/- 2.26   0.586% *  0.3890% (0.73   0.02   0.02) =   0.007%
          QG2   THR   77 - HN    LEU   40  16.63 +/- 1.51   0.654% *  0.1193% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   40  20.67 +/- 1.72   0.338% *  0.1489% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.902, support = 1.22, residual support = 19.7:
          QG1   VAL   70 - HN    LEU   40   5.71 +/- 2.21  34.861% * 53.2857% (0.84   1.42  35.75) =  53.082%  kept
          QD1   LEU   71 - HN    LEU   40   5.58 +/- 3.07  36.743% * 44.1292% (0.98   1.00   1.50) =  46.334%  kept
          QD1   LEU  123 - HN    LEU   40  13.57 +/- 3.79  11.876% *  0.8802% (0.98   0.02   0.02) =   0.299%  kept
          HB3   LEU  104 - HN    LEU   40  11.94 +/- 2.43   7.639% *  0.8289% (0.92   0.02   0.02) =   0.181%  kept
          QG1   VAL   18 - HN    LEU   40  11.40 +/- 3.16   3.890% *  0.6521% (0.73   0.02   0.02) =   0.072%
          HB3   LEU   63 - HN    LEU   40  11.65 +/- 1.70   4.992% *  0.2239% (0.25   0.02   0.02) =   0.032%
    Distance limit 4.16 A violated in 2 structures by 0.33 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.614, support = 4.21, residual support = 82.0:
          QD2   LEU   40 - HN    LEU   40   3.99 +/- 0.38  49.306% * 66.8503% (0.53   4.94 101.88) =  80.182%  kept
          QD2   LEU   71 - HN    LEU   40   6.36 +/- 2.63  25.812% * 31.2260% (0.98   1.24   1.50) =  19.607%  kept
          QD1   LEU   67 - HN    LEU   40   7.86 +/- 1.72  13.566% *  0.2911% (0.57   0.02   0.02) =   0.096%
          QD1   ILE  103 - HN    LEU   40  11.29 +/- 2.64   4.022% *  0.4747% (0.92   0.02   0.02) =   0.046%
          HG3   LYS+  74 - HN    LEU   40  15.29 +/- 2.78   2.609% *  0.4118% (0.80   0.02   0.02) =   0.026%
          QG2   ILE  103 - HN    LEU   40  11.66 +/- 2.21   2.655% *  0.3532% (0.69   0.02   0.02) =   0.023%
          QG2   ILE  119 - HN    LEU   40  13.70 +/- 2.86   2.030% *  0.3930% (0.76   0.02   0.02) =   0.019%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.99, residual support = 35.8:
          QG2   VAL   70 - HN    LEU   40   4.97 +/- 1.76 100.000% *100.0000% (0.57   5.99  35.75) = 100.000%  kept
    Distance limit 4.48 A violated in 4 structures by 0.81 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.483, support = 1.83, residual support = 3.26:
          HA    ALA   34 - HN    THR   39   3.54 +/- 1.00  76.515% * 19.4837% (0.22   1.76   5.25) =  54.867%  kept
          HA    GLU-  36 - HN    THR   39   6.69 +/- 0.27  15.843% * 77.0585% (0.80   1.93   0.85) =  44.933%  kept
          HA    ALA  124 - HN    THR   39  19.38 +/- 6.57   3.831% *  0.9602% (0.97   0.02   0.02) =   0.135%  kept
          HA    ASN   28 - HN    THR   39  12.90 +/- 0.98   2.321% *  0.3734% (0.38   0.02   0.02) =   0.032%
          HA    ARG+  54 - HN    THR   39  26.39 +/- 3.37   0.384% *  0.8923% (0.90   0.02   0.02) =   0.013%
          HA    LEU  115 - HN    THR   39  19.75 +/- 3.47   0.803% *  0.3394% (0.34   0.02   0.02) =   0.010%
          HA    LYS+  81 - HN    THR   39  26.45 +/- 3.12   0.302% *  0.8923% (0.90   0.02   0.02) =   0.010%
    Distance limit 4.37 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.831, support = 3.27, residual support = 9.71:
          HA    SER   37 - HN    THR   39   4.19 +/- 0.15  59.007% * 57.3973% (0.90   3.29   4.62) =  73.708%  kept
          HA    LEU   40 - HN    THR   39   5.34 +/- 0.35  29.537% * 40.7915% (0.65   3.24  24.03) =  26.222%  kept
          HA    GLU-  15 - HN    THR   39  12.82 +/- 4.15   3.916% *  0.3250% (0.84   0.02   0.02) =   0.028%
          HA    GLN   17 - HN    THR   39  14.80 +/- 3.40   1.941% *  0.3489% (0.90   0.02   0.02) =   0.015%
          HA    SER   13 - HN    THR   39  15.91 +/- 3.94   1.517% *  0.3250% (0.84   0.02   0.02) =   0.011%
          HA    VAL   42 - HN    THR   39  11.40 +/- 0.32   2.958% *  0.1327% (0.34   0.02   0.02) =   0.009%
          HA    PRO   58 - HN    THR   39  21.35 +/- 3.38   0.748% *  0.3115% (0.80   0.02   0.02) =   0.005%
          HA    THR   46 - HN    THR   39  22.97 +/- 1.22   0.377% *  0.3680% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.405, support = 3.76, residual support = 35.8:
      O   HB    THR   39 - HN    THR   39   2.76 +/- 0.50  62.255% * 90.9949% (0.41  10.0   3.81  37.27) =  95.441%  kept
          HB3   SER   37 - HN    THR   39   3.64 +/- 0.48  33.210% *  8.1235% (0.28   1.0   2.64   4.62) =   4.545%  kept
          HA    GLN   30 - HN    THR   39   8.92 +/- 1.62   3.362% *  0.2094% (0.95   1.0   0.02   0.02) =   0.012%
          QB    SER   13 - HN    THR   39  14.64 +/- 3.96   0.820% *  0.0992% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    THR   39  26.48 +/- 5.07   0.092% *  0.1692% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.20 +/- 2.60   0.065% *  0.2170% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.62 +/- 2.43   0.106% *  0.1253% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  26.81 +/- 4.03   0.090% *  0.0615% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.728, support = 4.16, residual support = 25.8:
          QG2   THR   39 - HN    THR   39   3.12 +/- 0.56  48.556% * 20.4334% (0.49   3.73  37.27) =  37.262%  kept
          HG3   LYS+  38 - HN    THR   39   5.08 +/- 0.83  16.426% * 54.6946% (0.76   6.36  30.82) =  33.741%  kept
          QB    ALA   34 - HN    THR   39   3.86 +/- 0.62  31.743% * 24.3150% (1.00   2.17   5.25) =  28.988%  kept
          HG13  ILE   19 - HN    THR   39  11.06 +/- 2.87   2.552% *  0.0445% (0.20   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    THR   39  16.41 +/- 1.76   0.396% *  0.1952% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  20.11 +/- 2.39   0.194% *  0.2077% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  22.66 +/- 1.58   0.133% *  0.1095% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.48 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 = 6.63, residual support = 221.2:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  90.884% * 99.7734% (0.80  10.0   6.63 221.17) =  99.993%  kept
          HA    GLU- 100 - HN    LYS+  38   8.82 +/- 5.19   8.740% *  0.0705% (0.57   1.0   0.02   0.02) =   0.007%
          HA    VAL   24 - HN    LYS+  38  17.25 +/- 1.03   0.204% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  25.93 +/- 5.89   0.096% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  25.85 +/- 3.28   0.076% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 221.2:
      O   HB2   LYS+  38 - HN    LYS+  38   3.02 +/- 0.18  94.271% * 99.7624% (1.00  10.0   5.95 221.17) =  99.998%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.40 +/- 0.94   0.960% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.31 +/- 1.13   1.601% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  12.59 +/- 1.85   1.666% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  15.10 +/- 2.77   0.993% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.75 +/- 0.86   0.419% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  31.88 +/- 2.99   0.089% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 221.1:
      O   HB3   LYS+  38 - HN    LYS+  38   3.93 +/- 0.11  76.543% * 99.4497% (0.90  10.0   5.20 221.17) =  99.987%  kept
          HB3   GLN   30 - HN    LYS+  38  10.70 +/- 1.04   4.253% *  0.1099% (0.99   1.0   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LYS+  38   6.71 +/- 0.49  16.205% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    LYS+  38  24.75 +/- 3.83   0.475% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+  38  26.10 +/- 3.28   0.327% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  18.95 +/- 1.10   0.710% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.48 +/- 1.58   0.209% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.66 +/- 4.73   0.780% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.92 +/- 3.64   0.328% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  31.22 +/- 3.05   0.169% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 221.1:
          HG2   LYS+  38 - HN    LYS+  38   3.43 +/- 0.35  86.266% * 98.4030% (0.65   5.85 221.17) =  99.963%  kept
          HG2   LYS+  99 - HN    LYS+  38  10.15 +/- 3.77   7.808% *  0.2734% (0.53   0.02   0.02) =   0.025%
          HB2   LEU   31 - HN    LYS+  38   9.99 +/- 0.57   3.892% *  0.1157% (0.22   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    LYS+  38  19.85 +/- 2.12   0.659% *  0.4916% (0.95   0.02   0.02) =   0.004%
          QB    ALA   88 - HN    LYS+  38  25.59 +/- 3.92   0.279% *  0.4916% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LYS+  38  17.00 +/- 1.53   0.866% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  28.44 +/- 3.92   0.230% *  0.1445% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 30.8:
          HB2   LYS+  38 - HN    THR   39   4.38 +/- 0.17  80.526% * 99.2291% (1.00   6.13  30.82) =  99.975%  kept
          HG3   GLU-  29 - HN    THR   39  14.71 +/- 1.51   2.397% *  0.2350% (0.73   0.02   0.02) =   0.007%
          HB    VAL   70 - HN    THR   39  10.45 +/- 1.64   7.960% *  0.0641% (0.20   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    THR   39  12.67 +/- 1.63   4.038% *  0.1104% (0.34   0.02   0.02) =   0.006%
          QG    GLN   17 - HN    THR   39  13.82 +/- 3.06   3.673% *  0.0807% (0.25   0.02   0.02) =   0.004%
          HB2   GLU-  25 - HN    THR   39  18.55 +/- 1.44   1.139% *  0.1104% (0.34   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    THR   39  30.33 +/- 2.44   0.266% *  0.1703% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 29.2:
      O   HB3   SER   37 - HN    SER   37   2.73 +/- 0.45  80.305% * 93.6302% (0.99  10.0   3.80  29.46) =  98.973%  kept
          HB    THR   39 - HN    SER   37   5.48 +/- 0.74  12.962% *  6.0005% (0.99   1.0   1.28   4.62) =   1.024%  kept
          QB    SER   13 - HN    SER   37  14.18 +/- 3.96   1.538% *  0.0926% (0.98   1.0   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    SER   37   8.05 +/- 1.15   4.478% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   37  21.21 +/- 3.68   0.458% *  0.0686% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  28.74 +/- 4.58   0.088% *  0.0936% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  27.54 +/- 6.26   0.112% *  0.0722% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.34 +/- 2.93   0.059% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 18.8:
          QB    GLU-  36 - HN    SER   37   3.26 +/- 0.36  86.781% * 98.3019% (1.00   3.71  18.82) =  99.967%  kept
          HB3   GLU-  29 - HN    SER   37  11.05 +/- 1.45   3.055% *  0.4593% (0.87   0.02   0.02) =   0.016%
          HG3   GLU- 100 - HN    SER   37   9.87 +/- 4.16   7.892% *  0.0927% (0.18   0.02   0.02) =   0.009%
          HG3   GLU-  29 - HN    SER   37  13.21 +/- 1.27   1.690% *  0.2577% (0.49   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    SER   37  23.09 +/- 3.33   0.464% *  0.5248% (0.99   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    SER   37  32.13 +/- 3.16   0.118% *  0.3637% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 21.1:
          HG2   LYS+  38 - HN    SER   37   4.91 +/- 0.20  82.778% * 97.5158% (0.38   4.89  21.07) =  99.915%  kept
          HG2   LYS+  99 - HN    SER   37  11.11 +/- 3.48  12.298% *  0.2956% (0.28   0.02   0.02) =   0.045%
          QG2   THR   77 - HN    SER   37  20.02 +/- 2.15   1.637% *  1.0538% (0.99   0.02   0.02) =   0.021%
          QG2   THR   23 - HN    SER   37  16.17 +/- 1.51   2.573% *  0.3627% (0.34   0.02   0.02) =   0.012%
          QB    ALA   88 - HN    SER   37  25.91 +/- 3.98   0.714% *  0.7721% (0.73   0.02   0.02) =   0.007%
    Distance limit 4.61 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.654, support = 5.86, residual support = 50.4:
          HB2   ASN   35 - HN    GLU-  36   3.67 +/- 0.26  67.103% * 91.1661% (0.65   6.05  52.13) =  96.753%  kept
          QE    LYS+  33 - HN    GLU-  36   5.43 +/- 1.01  27.740% *  7.3284% (0.87   0.36   0.02) =   3.215%  kept
          QE    LYS+  65 - HN    GLU-  36  19.57 +/- 4.56   1.828% *  0.4649% (1.00   0.02   0.02) =   0.013%
          HB2   ASN   28 - HN    GLU-  36  12.51 +/- 0.91   1.912% *  0.4408% (0.95   0.02   0.02) =   0.013%
          HB2   ASP-  78 - HN    GLU-  36  26.46 +/- 4.71   1.045% *  0.1589% (0.34   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  36  26.63 +/- 7.38   0.372% *  0.4408% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.70 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   3.67 +/- 0.37  97.928% * 99.4311% (0.97   4.82  86.33) =  99.995%  kept
          HG3   MET   96 - HN    GLU-  36  18.77 +/- 2.41   0.893% *  0.3424% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  22.43 +/- 3.74   0.822% *  0.1605% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  27.01 +/- 3.74   0.356% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 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   2.12 +/- 0.11  96.134% * 99.6951% (0.90  10.0   7.31  86.33) =  99.998%  kept
          HB3   GLU-  29 - HN    GLU-  36   9.68 +/- 1.23   1.163% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    GLU-  36  10.81 +/- 3.47   1.743% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  11.76 +/- 1.01   0.629% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.20 +/- 3.99   0.133% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.86 +/- 0.57   0.165% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  32.24 +/- 3.84   0.032% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.82, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.64 +/- 0.65  82.783% * 97.3046% (0.65   4.82  86.33) =  99.943%  kept
          QG    GLU-  15 - HN    GLU-  36  12.33 +/- 3.86   8.590% *  0.2799% (0.45   0.02   0.02) =   0.030%
          QB    MET   11 - HN    GLU-  36  17.38 +/- 4.28   1.221% *  0.5599% (0.90   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    GLU-  36  13.26 +/- 2.05   2.638% *  0.1557% (0.25   0.02   0.02) =   0.005%
          QG    GLU-  14 - HN    GLU-  36  14.67 +/- 3.28   2.096% *  0.1927% (0.31   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    GLU-  36  23.21 +/- 4.34   0.860% *  0.3039% (0.49   0.02   0.02) =   0.003%
          QG    GLU- 114 - HN    GLU-  36  23.43 +/- 3.16   0.500% *  0.3535% (0.57   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  36  19.89 +/- 1.45   0.683% *  0.2130% (0.34   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    GLU-  36  30.45 +/- 2.14   0.187% *  0.4039% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  28.23 +/- 3.90   0.270% *  0.1236% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.72 +/- 2.99   0.172% *  0.1093% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.454, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  14.74 +/- 1.97  38.655% * 42.5614% (0.57   0.02   0.02) =  60.510%  kept
          HA2   GLY  101 - HD22  ASN   35  12.25 +/- 6.41  55.527% * 14.8773% (0.20   0.02   0.02) =  30.383%  kept
          HD2   PRO   93 - HD22  ASN   35  28.32 +/- 2.85   5.817% * 42.5614% (0.57   0.02   0.02) =   9.106%  kept
    Distance limit 4.90 A violated in 15 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.57, residual support = 54.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.83 +/- 0.29  83.225% * 98.1359% (0.76  10.0   3.58  54.60) =  99.852%  kept
          QE    LYS+  33 - HD22  ASN   35   9.27 +/- 1.35   7.620% *  1.4695% (0.76   1.0   0.30   5.20) =   0.137%  kept
          QE    LYS+  65 - HD22  ASN   35  21.13 +/- 5.64   3.124% *  0.1239% (0.96   1.0   0.02   0.02) =   0.005%
          HB2   ASN   28 - HD22  ASN   35  12.45 +/- 1.84   3.243% *  0.1114% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HD22  ASN   35  25.08 +/- 8.64   0.875% *  0.1273% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  26.13 +/- 5.78   1.912% *  0.0320% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 4.52 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 = 0.737, support = 1.61, residual support = 4.11:
          HA    GLN   32 - HD21  ASN   35   3.66 +/- 1.03  63.504% * 40.2139% (0.76   1.37   3.60) =  67.094%  kept
          HA    LYS+  33 - HD21  ASN   35   5.77 +/- 0.62  22.458% * 55.4008% (0.69   2.10   5.20) =  32.689%  kept
          HA    VAL   18 - HD21  ASN   35  16.67 +/- 3.15   5.320% *  0.6664% (0.87   0.02   0.02) =   0.093%
          HA    GLU-  29 - HD21  ASN   35   8.81 +/- 0.98   5.115% *  0.6417% (0.83   0.02   0.02) =   0.086%
          HA    VAL   70 - HD21  ASN   35  14.38 +/- 2.78   2.117% *  0.2883% (0.38   0.02   0.02) =   0.016%
          HB2   SER   82 - HD21  ASN   35  25.84 +/- 8.26   0.522% *  0.7091% (0.92   0.02   0.02) =   0.010%
          HA    SER   48 - HD21  ASN   35  28.60 +/- 3.54   0.199% *  0.7414% (0.96   0.02   0.02) =   0.004%
          HA    ALA   88 - HD21  ASN   35  28.63 +/- 6.26   0.239% *  0.6151% (0.80   0.02   0.02) =   0.004%
          HA    GLN  116 - HD21  ASN   35  25.71 +/- 3.97   0.384% *  0.2883% (0.38   0.02   0.02) =   0.003%
          HD2   PRO   52 - HD21  ASN   35  31.29 +/- 3.72   0.141% *  0.4349% (0.57   0.02   0.02) =   0.002%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.608, support = 3.56, residual support = 54.2:
      O   HB2   ASN   35 - HD21  ASN   35   3.07 +/- 0.47  86.618% * 90.5268% (0.61  10.0   3.58  54.60) =  99.193%  kept
          QE    LYS+  33 - HD21  ASN   35   8.17 +/- 1.37   7.012% *  8.9862% (0.90   1.0   1.34   5.20) =   0.797%  kept
          QE    LYS+  65 - HD21  ASN   35  20.73 +/- 5.36   2.271% *  0.1493% (1.00   1.0   0.02   0.02) =   0.004%
          HB2   ASN   28 - HD21  ASN   35  11.61 +/- 1.39   2.265% *  0.1440% (0.96   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HD21  ASN   35  25.87 +/- 5.74   1.404% *  0.0560% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HD21  ASN   35  25.12 +/- 8.37   0.429% *  0.1378% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 4.19 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 = 0.657, support = 4.27, residual support = 42.6:
      O   HA    GLN   32 - HN    GLN   32   2.78 +/- 0.06  58.893% * 74.7619% (0.65  10.0   4.29  44.46) =  94.168%  kept
          HA    LYS+  33 - HN    GLN   32   5.16 +/- 0.16   9.445% * 22.6788% (0.80   1.0   4.90  15.73) =   4.581%  kept
          HA    GLU-  29 - HN    GLN   32   3.56 +/- 0.26  29.276% *  1.9894% (0.92   1.0   0.37   0.02) =   1.246%  kept
          HA    VAL   18 - HN    GLN   32  13.47 +/- 1.96   0.862% *  0.1093% (0.95   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   32  22.48 +/- 8.36   0.401% *  0.1133% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  13.75 +/- 2.03   0.641% *  0.0563% (0.49   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   32  24.72 +/- 3.54   0.120% *  0.1036% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  25.55 +/- 6.07   0.122% *  0.0794% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  23.98 +/- 4.13   0.169% *  0.0563% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.88 +/- 3.35   0.071% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.22, residual support = 154.0:
      O   HA    LYS+  33 - HN    LYS+  33   2.85 +/- 0.03  66.104% * 99.1388% (0.87  10.0   6.23 154.24) =  99.842%  kept
          HA    GLU-  29 - HN    LYS+  33   4.30 +/- 0.87  26.116% *  0.3780% (0.73   1.0   0.09   0.02) =   0.150%  kept
          HB2   SER   37 - HN    LYS+  33   8.06 +/- 1.20   3.792% *  0.0556% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  13.02 +/- 1.94   0.899% *  0.1143% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    LYS+  33  12.65 +/- 1.86   1.064% *  0.0785% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LYS+  33  14.43 +/- 3.15   1.449% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  24.14 +/- 7.98   0.290% *  0.0693% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  23.96 +/- 3.78   0.171% *  0.1143% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.80 +/- 3.33   0.116% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.328, support = 4.04, residual support = 24.8:
      O   HA    ASN   28 - HN    GLU-  29   3.62 +/- 0.03  33.299% * 71.5905% (0.18  10.0   5.04  32.63) =  75.612%  kept
          HA    THR   26 - HN    GLU-  29   3.31 +/- 0.18  43.641% * 14.1306% (0.95   1.0   0.73   0.68) =  19.560%  kept
          HA    GLU-  25 - HN    GLU-  29   4.71 +/- 0.50  16.788% *  8.5544% (0.22   1.0   1.88   0.02) =   4.555%  kept
          HA    ALA   34 - HN    GLU-  29  10.08 +/- 0.88   1.648% *  4.7314% (0.31   1.0   0.75   0.36) =   0.247%  kept
          HA    ILE   19 - HN    GLU-  29  10.61 +/- 2.41   3.432% *  0.1681% (0.41   1.0   0.02   0.02) =   0.018%
          HA1   GLY  101 - HN    GLU-  29  17.00 +/- 5.07   0.681% *  0.1990% (0.49   1.0   0.02   0.02) =   0.004%
          HA    CYS   53 - HN    GLU-  29  24.95 +/- 3.63   0.137% *  0.2808% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    GLU-  29  26.04 +/- 4.80   0.143% *  0.2644% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  22.81 +/- 4.33   0.232% *  0.0809% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.76 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 = 4.5, residual support = 105.7:
      O   HB2   ASN   28 - HD22  ASN   28   3.19 +/- 0.14  90.227% * 99.6000% (0.95  10.0   4.50 105.69) =  99.991%  kept
          QE    LYS+  33 - HD22  ASN   28  10.18 +/- 1.15   3.367% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HD22  ASN   28  17.93 +/- 8.16   2.507% *  0.0996% (0.95   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  13.05 +/- 1.22   1.516% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD22  ASN   28  18.20 +/- 3.82   0.957% *  0.1051% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  17.67 +/- 4.75   1.426% *  0.0359% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 4.07, residual support = 159.1:
      O   HG2   GLN   30 - HE21  GLN   30   3.85 +/- 0.27  90.411% * 96.2857% (0.61  10.0   4.08 159.47) =  99.720%  kept
          HB3   ASN   28 - HE21  GLN   30   9.91 +/- 1.43   6.615% *  3.6865% (0.84   1.0   0.56  17.39) =   0.279%  kept
          QE    LYS+ 121 - HE21  GLN   30  17.62 +/- 5.19   2.973% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.02 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 = 4.18, residual support = 159.2:
      O   HG2   GLN   30 - HE22  GLN   30   3.04 +/- 0.59  93.473% * 96.2857% (0.61  10.0   4.19 159.47) =  99.793%  kept
          HB3   ASN   28 - HE22  GLN   30   8.80 +/- 1.45   5.063% *  3.6865% (0.84   1.0   0.56  17.39) =   0.207%  kept
          QE    LYS+ 121 - HE22  GLN   30  17.65 +/- 5.21   1.464% *  0.0278% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 4.12, residual support = 105.7:
      O   HB3   ASN   28 - HD22  ASN   28   3.33 +/- 0.10  78.226% * 99.7665% (0.90  10.0   4.12 105.69) =  99.975%  kept
          HG2   GLN   30 - HD22  ASN   28   7.14 +/- 0.59   8.604% *  0.1110% (1.00   1.0   0.02  17.39) =   0.012%
          QE    LYS+ 121 - HD22  ASN   28  21.06 +/- 5.74  11.345% *  0.0808% (0.73   1.0   0.02   0.02) =   0.012%
          HB3   HIS  122 - HD22  ASN   28  22.10 +/- 5.31   1.824% *  0.0418% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.24 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 = 1.6, residual support = 14.3:
          QG2   VAL   24 - HD22  ASN   28   3.16 +/- 0.41  83.926% * 97.8662% (0.97   1.61  14.35) =  99.801%  kept
          HG    LEU   63 - HD22  ASN   28  17.63 +/- 4.16  14.077% *  1.0945% (0.87   0.02   0.02) =   0.187%  kept
          QG1   VAL  107 - HD22  ASN   28  16.49 +/- 3.41   1.473% *  0.4736% (0.38   0.02   0.02) =   0.008%
          HG3   LYS+ 112 - HD22  ASN   28  23.77 +/- 5.30   0.524% *  0.5657% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.90 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 = 6.1, residual support = 92.0:
      O   HA    GLU-  29 - HN    GLU-  29   2.77 +/- 0.05  87.730% * 95.4293% (0.84  10.0   6.11  92.19) =  99.840%  kept
          HA    LYS+  33 - HN    GLU-  29   8.58 +/- 0.71   3.191% *  4.0528% (0.95   1.0   0.75   0.02) =   0.154%  kept
          HA    VAL   18 - HN    GLU-  29  12.93 +/- 2.19   1.402% *  0.0915% (0.80   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLU-  29  20.77 +/- 8.77   1.008% *  0.0830% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.66 +/- 0.41   4.235% *  0.0176% (0.15   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  15.89 +/- 1.73   0.540% *  0.1120% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLU-  29  24.43 +/- 5.16   0.457% *  0.1120% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.22 +/- 1.56   0.939% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  22.95 +/- 4.13   0.299% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  24.51 +/- 5.92   0.198% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 6.19, residual support = 32.5:
          HB2   ASN   28 - HN    GLU-  29   2.48 +/- 0.28  91.679% * 91.5617% (0.97   6.22  32.63) =  99.490%  kept
          QE    LYS+  33 - HN    GLU-  29   7.48 +/- 1.37   5.623% *  7.5515% (0.90   0.55   0.02) =   0.503%  kept
          QE    LYS+  65 - HN    GLU-  29  18.83 +/- 3.73   0.701% *  0.3053% (1.00   0.02   0.02) =   0.003%
          HB2   ASN   35 - HN    GLU-  29  11.83 +/- 0.95   1.019% *  0.1852% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    GLU-  29  21.46 +/- 8.07   0.295% *  0.2818% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  20.37 +/- 5.07   0.684% *  0.1146% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.75 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 = 0.711, support = 5.49, residual support = 30.8:
          HB3   ASN   28 - HN    GLU-  29   3.48 +/- 0.16  66.214% * 47.0145% (0.65   5.78  32.63) =  70.714%  kept
          HG2   GLN   30 - HN    GLU-  29   5.08 +/- 0.59  24.478% * 52.5847% (0.87   4.82  26.57) =  29.239%  kept
          QE    LYS+ 121 - HN    GLU-  29  21.82 +/- 6.17   7.555% *  0.2380% (0.95   0.02   0.02) =   0.041%
          HB3   HIS  122 - HN    GLU-  29  22.88 +/- 5.57   1.753% *  0.1628% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.10 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 = 5.36, residual support = 92.1:
          HG2   GLU-  29 - HN    GLU-  29   3.02 +/- 0.57  86.313% * 97.1695% (0.57   5.37  92.19) =  99.882%  kept
          QG    GLN   32 - HN    GLU-  29   6.87 +/- 0.89  11.749% *  0.7658% (0.28   0.09   0.02) =   0.107%  kept
          HB3   PHE   45 - HN    GLU-  29  19.35 +/- 2.53   0.439% *  0.6338% (0.99   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    GLU-  29  21.53 +/- 8.21   0.840% *  0.2629% (0.41   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    GLU-  29  23.62 +/- 5.27   0.309% *  0.6338% (0.99   0.02   0.02) =   0.002%
          HB    VAL  107 - HN    GLU-  29  21.80 +/- 3.12   0.349% *  0.5341% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.579, support = 5.31, residual support = 14.0:
          HA    ASN   28 - HN    GLN   30   3.91 +/- 0.18  38.561% * 60.3945% (0.45   6.76  17.39) =  73.027%  kept
          HA    THR   26 - HN    GLN   30   4.45 +/- 0.55  28.443% * 27.9077% (0.97   1.45   4.85) =  24.891%  kept
          HA    ALA   34 - HN    GLN   30   7.82 +/- 0.87   5.619% *  9.6712% (0.65   0.75   6.35) =   1.704%  kept
          HA1   GLY  101 - HN    LYS+  99   5.73 +/- 0.59  13.357% *  0.8204% (0.05   0.75   1.38) =   0.344%  kept
          HA1   GLY  101 - HN    GLN   30  15.68 +/- 4.65   1.375% *  0.3330% (0.84   0.02   0.02) =   0.014%
          HA    ILE   19 - HN    GLN   30   9.21 +/- 1.62   5.624% *  0.0615% (0.15   0.02  14.80) =   0.011%
          HA    GLU- 114 - HN    GLN   30  24.43 +/- 4.42   0.252% *  0.3771% (0.95   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    GLN   30  21.08 +/- 3.96   0.423% *  0.1941% (0.49   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LYS+  99  11.67 +/- 3.02   2.335% *  0.0169% (0.04   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  23.80 +/- 3.39   0.232% *  0.1360% (0.34   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  14.90 +/- 3.77   1.401% *  0.0117% (0.03   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  18.67 +/- 3.51   0.646% *  0.0253% (0.06   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+  99  18.56 +/- 2.42   0.420% *  0.0248% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.32 +/- 2.21   0.621% *  0.0127% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.83 +/- 2.32   0.494% *  0.0040% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  23.23 +/- 1.96   0.196% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 6.38, residual support = 26.4:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.02  63.727% * 94.9976% (1.00  10.0   6.42  26.57) =  99.416%  kept
          HA    LYS+  33 - HN    GLN   30   7.22 +/- 0.46   7.505% *  3.4996% (0.98   1.0   0.75   0.52) =   0.431%  kept
          HA    GLN   32 - HN    GLN   30   6.79 +/- 0.18   8.766% *  0.9888% (0.38   1.0   0.55   1.66) =   0.142%  kept
          HA    VAL   18 - HN    GLN   30  11.23 +/- 1.52   2.497% *  0.0944% (0.99   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    GLN   30  21.06 +/- 8.11   1.161% *  0.0919% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    GLN   30  13.48 +/- 1.58   1.284% *  0.0728% (0.76   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    GLN   30  22.68 +/- 4.53   0.677% *  0.0728% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  11.01 +/- 1.55   2.517% *  0.0147% (0.15   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   30  22.39 +/- 3.69   0.376% *  0.0616% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  12.41 +/- 4.36   2.500% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  24.31 +/- 5.54   0.288% *  0.0391% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  15.13 +/- 2.53   0.995% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.68 +/- 3.30   0.803% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.71 +/- 3.74   0.218% *  0.0212% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.24 +/- 2.91   0.679% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  13.84 +/- 3.51   1.638% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.49 +/- 3.35   2.862% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  23.55 +/- 6.22   0.419% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.23 +/- 2.40   0.439% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  23.26 +/- 4.27   0.297% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  24.93 +/- 1.73   0.187% *  0.0040% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.92 +/- 1.90   0.165% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 6.41, residual support = 159.5:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.02  85.438% * 99.5516% (0.92  10.0   6.41 159.47) =  99.995%  kept
          QB    SER   13 - HN    GLN   30  13.57 +/- 4.04   2.659% *  0.0525% (0.49   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    GLN   30  11.14 +/- 2.41   2.235% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  20.86 +/- 8.26   0.828% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  10.71 +/- 1.43   1.875% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    GLN   30  27.09 +/- 3.96   0.134% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.97 +/- 3.05   0.205% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.84 +/- 3.09   2.913% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  23.29 +/- 5.60   0.235% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.63 +/- 2.66   0.878% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  13.46 +/- 3.57   1.453% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  23.47 +/- 6.30   0.347% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.13 +/- 3.59   0.284% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.26 +/- 1.94   0.100% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.50 +/- 1.91   0.161% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  21.60 +/- 4.17   0.258% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.985, support = 7.05, residual support = 141.2:
          HG2   GLN   30 - HN    GLN   30   3.16 +/- 0.38  70.623% * 63.6413% (1.00   7.40 159.47) =  87.148%  kept
          HB3   ASN   28 - HN    GLN   30   5.12 +/- 0.17  18.329% * 36.1347% (0.90   4.67  17.39) =  12.842%  kept
          QE    LYS+ 121 - HN    GLN   30  20.01 +/- 5.80   2.061% *  0.1252% (0.73   0.02   0.02) =   0.005%
          HB3   HIS  122 - HN    GLN   30  20.75 +/- 5.32   3.533% *  0.0647% (0.38   0.02   0.02) =   0.004%
          QE    LYS+ 121 - HN    LYS+  99  14.41 +/- 5.95   1.938% *  0.0082% (0.05   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.62 +/- 4.28   1.281% *  0.0102% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.48 +/- 2.78   0.928% *  0.0113% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  17.01 +/- 6.91   1.308% *  0.0043% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.9, residual support = 158.7:
      O   HB3   GLN   30 - HN    GLN   30   2.36 +/- 0.34  74.629% * 95.1171% (0.69  10.0   6.93 159.47) =  99.492%  kept
          QB    LYS+  33 - HN    GLN   30   5.03 +/- 0.81   9.532% *  3.7707% (0.73   1.0   0.75   0.52) =   0.504%  kept
          HB3   LYS+  38 - HN    GLN   30  14.22 +/- 1.04   0.425% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  19.62 +/- 5.29   0.301% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  18.40 +/- 2.21   0.244% *  0.1242% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  99   6.01 +/- 0.44   5.616% *  0.0048% (0.03   1.0   0.02   0.50) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.45 +/- 3.53   0.302% *  0.0840% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.74 +/- 3.14   0.265% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  18.59 +/- 3.36   0.274% *  0.0674% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.59 +/- 3.85   0.114% *  0.1336% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  11.71 +/- 4.11   1.636% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  25.37 +/- 4.39   0.102% *  0.1109% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.49 +/- 0.36   1.933% *  0.0055% (0.04   1.0   0.02   0.57) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.65 +/- 4.29   0.133% *  0.0784% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.87 +/- 0.51   1.269% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  22.57 +/- 4.47   0.190% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.18 +/- 2.63   0.108% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  14.02 +/- 2.77   0.714% *  0.0062% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  16.54 +/- 5.31   0.990% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  13.79 +/- 2.22   0.518% *  0.0066% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  22.65 +/- 3.80   0.189% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.83 +/- 2.24   0.107% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  24.86 +/- 2.54   0.101% *  0.0073% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.60 +/- 0.77   0.127% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.53 +/- 2.50   0.076% *  0.0052% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.88 +/- 2.86   0.105% *  0.0031% (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 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 5.61, residual support = 49.3:
          HG    LEU   31 - HN    GLN   30   4.16 +/- 0.72  40.087% * 89.1225% (0.80   5.87  51.62) =  95.206%  kept
          QD2   LEU   73 - HN    GLN   30   6.98 +/- 2.84  17.643% * 10.1015% (0.92   0.58   3.13) =   4.749%  kept
          QG1   VAL   41 - HN    GLN   30   7.99 +/- 2.19   9.397% *  0.0946% (0.25   0.02   0.02) =   0.024%
          QD1   ILE   56 - HN    GLN   30  18.89 +/- 3.17   0.736% *  0.3785% (1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 121 - HN    GLN   30  22.26 +/- 5.63   1.086% *  0.2148% (0.57   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LYS+  99   6.16 +/- 2.51  23.798% *  0.0062% (0.02   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    LYS+  99  12.01 +/- 1.91   1.928% *  0.0230% (0.06   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+  99  12.93 +/- 3.23   2.125% *  0.0200% (0.05   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LYS+  99  15.58 +/- 7.04   2.617% *  0.0141% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  17.50 +/- 1.62   0.583% *  0.0249% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.724, support = 2.0, residual support = 4.83:
          QG2   THR   26 - HN    GLN   30   4.20 +/- 0.42  58.621% * 94.2903% (0.73   2.00   4.85) =  99.767%  kept
          HB3   LEU   40 - HN    GLN   30  13.30 +/- 2.41   3.244% *  0.9429% (0.73   0.02   0.02) =   0.055%
          HB2   LYS+  74 - HN    GLN   30  13.12 +/- 1.63   2.255% *  1.2283% (0.95   0.02   0.02) =   0.050%
          QB    ALA  120 - HN    GLN   30  20.29 +/- 4.56   2.412% *  0.6320% (0.49   0.02   0.02) =   0.028%
          HD2   LYS+ 121 - HN    GLN   30  21.91 +/- 5.79   2.001% *  0.7352% (0.57   0.02   0.02) =   0.027%
          HG2   LYS+  65 - HN    GLN   30  17.73 +/- 3.48   1.541% *  0.8400% (0.65   0.02   0.02) =   0.023%
          QD    LYS+  66 - HN    GLN   30  18.63 +/- 3.43   3.019% *  0.2891% (0.22   0.02   0.02) =   0.016%
          HB3   LEU   40 - HN    LYS+  99   8.86 +/- 3.68  11.707% *  0.0619% (0.05   0.02   9.75) =   0.013%
          HG    LEU  115 - HN    GLN   30  21.69 +/- 4.00   0.767% *  0.6320% (0.49   0.02   0.02) =   0.009%
          QG2   THR   26 - HN    LYS+  99  15.14 +/- 2.95   3.049% *  0.0619% (0.05   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    LYS+  99  19.63 +/- 4.91   2.658% *  0.0552% (0.04   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HN    LYS+  99  17.63 +/- 2.35   1.427% *  0.0807% (0.06   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    LYS+  99  16.09 +/- 6.10   2.299% *  0.0483% (0.04   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LYS+  99  16.16 +/- 3.68   1.456% *  0.0415% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+  99  17.81 +/- 4.75   2.787% *  0.0190% (0.01   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  18.35 +/- 1.45   0.756% *  0.0415% (0.03   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.385, support = 6.42, residual support = 159.4:
      O   HB2   GLN   30 - HN    GLN   30   3.34 +/- 0.43  43.429% * 86.7988% (0.41  10.0   6.41 159.47) =  88.948%  kept
          HG3   GLN   30 - HN    GLN   30   3.58 +/- 0.63  38.809% * 12.0502% (0.18   1.0   6.52 159.47) =  11.035%  kept
          HB2   GLU-  14 - HN    GLN   30  13.36 +/- 3.98   2.362% *  0.1111% (0.53   1.0   0.02   0.02) =   0.006%
          HG2   MET   11 - HN    GLN   30  17.62 +/- 6.19   1.173% *  0.1195% (0.57   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    GLN   30  22.44 +/- 4.52   0.791% *  0.0868% (0.41   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    GLN   30  15.45 +/- 3.21   0.899% *  0.0720% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    GLN   30  21.18 +/- 2.40   0.203% *  0.2038% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+  99   6.31 +/- 0.45   6.998% *  0.0047% (0.02   1.0   0.02  39.76) =   0.001%
          HG2   PRO   58 - HN    GLN   30  23.29 +/- 4.03   0.252% *  0.0947% (0.45   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    GLN   30  23.15 +/- 2.43   0.142% *  0.1366% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  25.77 +/- 4.49   0.116% *  0.1533% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  27.36 +/- 3.95   0.094% *  0.0947% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.34 +/- 2.64   1.389% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.22 +/- 3.04   1.672% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.70 +/- 0.60   0.431% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.80 +/- 0.58   0.216% *  0.0134% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  18.88 +/- 3.60   0.344% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  22.07 +/- 3.73   0.206% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.57 +/- 2.74   0.187% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  26.58 +/- 2.53   0.092% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.05 +/- 5.31   0.098% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.73 +/- 2.44   0.094% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.934, support = 5.63, residual support = 26.6:
          HB3   GLU-  29 - HN    GLN   30   3.91 +/- 0.31  53.782% * 43.3659% (0.90   5.21  26.57) =  55.661%  kept
          HG3   GLU-  29 - HN    GLN   30   4.81 +/- 0.55  33.120% * 56.0708% (0.98   6.16  26.57) =  44.318%  kept
          QB    GLU-  36 - HN    GLN   30   9.24 +/- 0.75   4.381% *  0.1126% (0.61   0.02   0.02) =   0.012%
          HB2   LYS+  38 - HN    GLN   30  13.88 +/- 1.01   1.291% *  0.1126% (0.61   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    GLN   30  16.75 +/- 4.79   1.342% *  0.0977% (0.53   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  25.99 +/- 4.44   0.249% *  0.1841% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  12.78 +/- 3.83   2.369% *  0.0074% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.91 +/- 2.21   1.353% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.06 +/- 3.48   0.659% *  0.0120% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.83 +/- 3.07   0.704% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  20.89 +/- 3.26   0.539% *  0.0064% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  25.56 +/- 2.33   0.210% *  0.0121% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.42, residual support = 92.2:
      O   HB2   GLU-  29 - HN    GLU-  29   2.53 +/- 0.40  95.865% * 99.4303% (0.76  10.0   5.42  92.19) =  99.996%  kept
          HG2   GLU- 100 - HN    GLU-  29  16.62 +/- 3.79   1.663% *  0.1042% (0.80   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    GLU-  29  21.74 +/- 3.92   0.568% *  0.1290% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLU-  29  17.46 +/- 3.84   0.398% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.24 +/- 2.90   0.683% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  22.90 +/- 4.60   0.510% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  26.15 +/- 2.73   0.118% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  22.80 +/- 4.75   0.195% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.773, support = 5.5, residual support = 92.0:
      O   HB3   GLU-  29 - HN    GLU-  29   3.33 +/- 0.47  37.959% * 66.8843% (0.65  10.0   4.93  92.19) =  59.910%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.03 +/- 0.48  53.239% * 31.7732% (0.97   1.0   6.37  92.19) =  39.916%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.97 +/- 0.53   6.608% *  1.1025% (0.14   1.0   1.58   0.02) =   0.172%  kept
          QB    GLU-  36 - HN    GLU-  29  10.53 +/- 0.94   1.184% *  0.0353% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  29  15.87 +/- 0.90   0.325% *  0.0897% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  17.17 +/- 5.22   0.586% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  26.33 +/- 4.78   0.100% *  0.0864% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.965, support = 3.28, residual support = 159.4:
      O   HG3   GLN   30 - HE21  GLN   30   3.85 +/- 0.36  41.350% * 85.8829% (0.99  10.0   3.18 159.47) =  86.092%  kept
          HB2   GLN   30 - HE21  GLN   30   3.85 +/- 0.62  42.047% * 13.6267% (0.80   1.0   3.93 159.47) =  13.890%  kept
          QB    GLU-  15 - HE21  GLN   30   9.44 +/- 2.41   6.561% *  0.0422% (0.49   1.0   0.02   0.02) =   0.007%
          HB2   GLN   17 - HE21  GLN   30  10.14 +/- 1.49   3.311% *  0.0422% (0.49   1.0   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HE21  GLN   30  15.51 +/- 3.40   1.011% *  0.0752% (0.87   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HE21  GLN   30  19.53 +/- 3.96   1.094% *  0.0694% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HE21  GLN   30  15.07 +/- 2.60   0.970% *  0.0752% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HE21  GLN   30  11.66 +/- 1.74   2.424% *  0.0267% (0.31   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HE21  GLN   30  23.88 +/- 4.59   0.322% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  22.43 +/- 2.33   0.220% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.94 +/- 3.22   0.197% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.82 +/- 3.23   0.493% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.342, support = 2.11, residual support = 14.8:
          QD1   ILE   19 - HE21  GLN   30   3.40 +/- 1.19  46.921% * 69.0281% (0.41   2.13  14.80) =  70.662%  kept
          QG2   ILE   19 - HE21  GLN   30   3.36 +/- 0.99  47.151% * 28.4273% (0.18   2.06  14.80) =  29.243%  kept
          QD1   LEU   98 - HE21  GLN   30  12.00 +/- 2.72   1.718% *  1.4111% (0.90   0.02   0.02) =   0.053%
          QD2   LEU  104 - HE21  GLN   30  13.56 +/- 2.75   1.382% *  0.8908% (0.57   0.02   0.02) =   0.027%
          QG2   THR   46 - HE21  GLN   30  14.57 +/- 3.10   2.828% *  0.2428% (0.15   0.02   0.02) =   0.015%
    Distance limit 4.68 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 = 0.328, support = 2.16, residual support = 14.8:
          QD1   ILE   19 - HE22  GLN   30   3.99 +/- 1.14  41.661% * 67.0812% (0.41   2.11  14.80) =  65.022%  kept
          QG2   ILE   19 - HE22  GLN   30   3.54 +/- 0.77  49.208% * 30.4207% (0.18   2.25  14.80) =  34.829%  kept
          QD1   LEU   98 - HE22  GLN   30  11.56 +/- 2.73   2.415% *  1.3853% (0.90   0.02   0.02) =   0.078%
          QD2   LEU  104 - HE22  GLN   30  13.34 +/- 2.77   2.313% *  0.8745% (0.57   0.02   0.02) =   0.047%
          QG2   THR   46 - HE22  GLN   30  14.07 +/- 2.82   4.403% *  0.2383% (0.15   0.02   0.02) =   0.024%
    Distance limit 4.83 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 = 5.92, residual support = 44.5:
      O   HA    LEU   31 - HN    GLN   32   3.60 +/- 0.03  98.530% * 99.9819% (0.97  10.0   5.92  44.52) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  19.45 +/- 4.19   1.470% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 44.4:
          QG    GLN   32 - HN    GLN   32   3.50 +/- 0.58  91.619% * 98.9169% (0.99   4.46  44.46) =  99.981%  kept
          QG    GLU-  79 - HN    GLN   32  17.22 +/- 4.49   2.834% *  0.3583% (0.80   0.02   0.02) =   0.011%
          HB2   GLU- 100 - HN    GLN   32  13.41 +/- 3.45   3.124% *  0.0996% (0.22   0.02   0.02) =   0.003%
          HB    VAL  107 - HN    GLN   32  20.87 +/- 2.86   0.693% *  0.3074% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  19.83 +/- 2.62   0.832% *  0.1244% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  23.72 +/- 4.76   0.486% *  0.1244% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  25.79 +/- 4.09   0.412% *  0.0690% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.47, residual support = 44.5:
      O   QB    GLN   32 - HN    GLN   32   2.18 +/- 0.10  98.041% * 99.6924% (0.90  10.0   4.47  44.46) =  99.998%  kept
          HG3   GLU- 100 - HN    GLN   32  13.31 +/- 2.90   0.750% *  0.1090% (0.98   1.0   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    GLN   32  11.75 +/- 0.56   0.642% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  18.68 +/- 3.42   0.285% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  18.99 +/- 4.55   0.281% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.731, support = 3.01, residual support = 6.26:
          HB3   GLN   30 - HN    GLN   32   5.22 +/- 0.16  36.013% * 73.4488% (0.99   2.50   1.66) =  67.272%  kept
          QB    LYS+  33 - HN    GLN   32   4.54 +/- 0.37  53.967% * 23.7858% (0.20   4.06  15.73) =  32.646%  kept
          HB3   LYS+  38 - HN    GLN   32  12.01 +/- 0.78   3.156% *  0.5310% (0.90   0.02   0.02) =   0.043%
          HG3   MET   11 - HN    GLN   32  18.83 +/- 6.64   3.324% *  0.1318% (0.22   0.02   0.02) =   0.011%
          HB3   PRO   58 - HN    GLN   32  24.49 +/- 4.25   0.601% *  0.5310% (0.90   0.02   0.02) =   0.008%
          HB2   MET   92 - HN    GLN   32  25.71 +/- 2.82   0.332% *  0.5868% (0.99   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    GLN   32  18.50 +/- 2.56   0.928% *  0.2020% (0.34   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   32  25.33 +/- 3.35   0.389% *  0.4525% (0.76   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    GLN   32  21.34 +/- 5.41   0.955% *  0.1827% (0.31   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    GLN   32  27.02 +/- 4.75   0.335% *  0.1476% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.5:
          HB2   LEU   31 - HN    GLN   32   2.75 +/- 0.21  92.511% * 97.3682% (0.98   5.92  44.52) =  99.980%  kept
          HB2   LEU   63 - HN    GLN   32  18.15 +/- 3.53   1.103% *  0.3239% (0.97   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    GLN   32  13.01 +/- 3.36   1.470% *  0.2171% (0.65   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    GLN   32  11.55 +/- 1.07   1.391% *  0.2036% (0.61   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    GLN   32  14.11 +/- 2.78   1.031% *  0.2437% (0.73   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    GLN   32  20.54 +/- 6.96   0.560% *  0.3349% (1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    GLN   32  22.22 +/- 5.38   0.483% *  0.2565% (0.76   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLN   32  17.60 +/- 1.73   0.393% *  0.3010% (0.90   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLN   32  19.39 +/- 4.75   0.459% *  0.1766% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLN   32  27.74 +/- 3.82   0.130% *  0.3175% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.74 +/- 2.72   0.201% *  0.1634% (0.49   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  22.23 +/- 5.31   0.270% *  0.0933% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 44.5:
          HB3   LEU   31 - HN    GLN   32   3.94 +/- 0.21  86.639% * 98.9115% (0.98   5.92  44.52) =  99.973%  kept
          QG1   VAL   24 - HN    GLN   32  10.20 +/- 0.62   5.254% *  0.1931% (0.57   0.02   0.02) =   0.012%
          QB    ALA   20 - HN    GLN   32  12.29 +/- 1.13   3.189% *  0.1794% (0.53   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    GLN   32  21.80 +/- 4.01   1.130% *  0.3291% (0.97   0.02   0.02) =   0.004%
          HG2   LYS+ 121 - HN    GLN   32  22.88 +/- 5.71   2.032% *  0.0675% (0.20   0.02   0.02) =   0.002%
          QG1   VAL  107 - HN    GLN   32  17.67 +/- 2.82   1.401% *  0.0850% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    GLN   32  27.31 +/- 4.96   0.356% *  0.2343% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.59, residual support = 15.7:
          QG    GLN   32 - HN    LYS+  33   4.13 +/- 0.53  94.744% * 98.7111% (0.84   4.59  15.73) =  99.983%  kept
          QG    GLU-  79 - HN    LYS+  33  18.13 +/- 4.46   2.871% *  0.2711% (0.53   0.02   0.02) =   0.008%
          HB    VAL  107 - HN    LYS+  33  21.46 +/- 2.21   0.767% *  0.4756% (0.92   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    LYS+  33  20.90 +/- 2.30   0.944% *  0.2711% (0.53   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    LYS+  33  24.14 +/- 4.37   0.673% *  0.2711% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 15.7:
          QB    GLN   32 - HN    LYS+  33   2.84 +/- 0.21  93.897% * 98.6075% (1.00   4.62  15.73) =  99.983%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.85 +/- 2.83   2.168% *  0.3415% (0.80   0.02   0.02) =   0.008%
          HB    VAL   24 - HN    LYS+  33  13.31 +/- 0.40   0.948% *  0.4227% (0.99   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    LYS+  33  17.78 +/- 2.90   0.570% *  0.3937% (0.92   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    LYS+  33  13.89 +/- 4.16   2.133% *  0.0658% (0.15   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    LYS+  33  25.09 +/- 3.58   0.190% *  0.0844% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  30.28 +/- 3.53   0.093% *  0.0844% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.964, support = 6.15, residual support = 154.0:
      O   QB    LYS+  33 - HN    LYS+  33   2.28 +/- 0.22  90.223% * 97.3337% (0.97  10.0   6.16 154.24) =  99.852%  kept
          HB3   GLN   30 - HN    LYS+  33   5.44 +/- 0.26   7.039% *  1.8217% (0.38   1.0   0.96   0.52) =   0.146%  kept
          HB3   LYS+  38 - HN    LYS+  33  10.93 +/- 0.58   0.928% *  0.0571% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LYS+  33  18.14 +/- 3.52   0.368% *  0.0808% (0.80   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.82 +/- 3.28   0.253% *  0.0842% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  19.31 +/- 1.91   0.168% *  0.1006% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.61 +/- 2.57   0.182% *  0.0905% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  22.70 +/- 5.09   0.157% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.64 +/- 3.35   0.095% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.42 +/- 3.93   0.068% *  0.0875% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  28.53 +/- 4.33   0.058% *  0.1000% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  24.37 +/- 4.95   0.208% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  24.38 +/- 4.20   0.146% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.90 +/- 2.49   0.063% *  0.0251% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  30.41 +/- 3.01   0.045% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 154.2:
          HG2   LYS+  33 - HN    LYS+  33   3.30 +/- 0.33  98.915% * 98.6670% (0.61   4.61 154.24) =  99.993%  kept
          QG    LYS+  81 - HN    LYS+  33  22.83 +/- 5.26   0.580% *  0.6517% (0.92   0.02   0.02) =   0.004%
          HG2   LYS+ 106 - HN    LYS+  33  20.89 +/- 2.48   0.505% *  0.6813% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.365, support = 5.54, residual support = 141.9:
          HG3   LYS+  33 - HN    LYS+  33   3.01 +/- 0.85  67.618% * 74.2822% (0.38   5.82 154.24) =  91.916%  kept
          HB2   LEU   31 - HN    LYS+  33   4.97 +/- 0.16  22.023% * 19.8605% (0.25   2.34   1.04) =   8.004%  kept
          HG    LEU   98 - HN    LYS+  33  13.43 +/- 2.99   1.694% *  0.5902% (0.87   0.02   0.02) =   0.018%
          HB3   LEU   73 - HN    LYS+  33  12.87 +/- 2.98   1.910% *  0.3579% (0.53   0.02   0.02) =   0.013%
          QB    ALA  124 - HN    LYS+  33  21.30 +/- 5.48   0.849% *  0.5199% (0.76   0.02   0.02) =   0.008%
          QB    ALA   84 - HN    LYS+  33  20.68 +/- 4.43   0.568% *  0.6436% (0.95   0.02   0.02) =   0.007%
          HG3   LYS+ 102 - HN    LYS+  33  17.72 +/- 4.33   0.824% *  0.3852% (0.57   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    LYS+  33  13.97 +/- 1.59   0.945% *  0.3050% (0.45   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    LYS+  33  19.07 +/- 4.20   0.896% *  0.3050% (0.45   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HN    LYS+  33  18.07 +/- 1.57   0.525% *  0.4127% (0.61   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    LYS+  33  18.13 +/- 2.96   0.598% *  0.3312% (0.49   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  33  23.53 +/- 2.30   0.284% *  0.6566% (0.97   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LYS+  33  19.95 +/- 2.24   0.348% *  0.5199% (0.76   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    LYS+  33  21.91 +/- 6.76   0.615% *  0.2553% (0.38   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    LYS+  33  27.19 +/- 3.59   0.163% *  0.4401% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  28.43 +/- 3.48   0.142% *  0.1346% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.815, residual support = 1.04:
          QD2   LEU   31 - HN    LYS+  33   5.11 +/- 0.19  92.339% * 93.1741% (0.65   0.82   1.04) =  99.694%  kept
          QG2   VAL   83 - HN    LYS+  33  17.83 +/- 5.86   5.281% *  3.4926% (0.99   0.02   0.02) =   0.214%  kept
          QD1   ILE   89 - HN    LYS+  33  19.88 +/- 4.53   2.380% *  3.3334% (0.95   0.02   0.02) =   0.092%
    Distance limit 4.68 A violated in 0 structures by 0.43 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.877, support = 3.16, residual support = 4.91:
          HA    LYS+  33 - HN    ASN   35   3.49 +/- 0.12  46.356% * 75.6092% (0.98   3.37   5.20) =  83.278%  kept
          HA    GLN   32 - HN    ASN   35   3.83 +/- 0.18  35.593% * 18.9119% (0.38   2.20   3.60) =  15.993%  kept
          HB2   SER   37 - HN    ASN   35   6.17 +/- 0.71   9.521% *  2.8413% (0.15   0.80   0.02) =   0.643%  kept
          HA    GLU-  29 - HN    ASN   35   7.86 +/- 0.68   4.625% *  0.4566% (1.00   0.02   0.02) =   0.050%
          HA    VAL   18 - HN    ASN   35  14.03 +/- 2.15   1.619% *  0.4536% (0.99   0.02   0.02) =   0.017%
          HA    VAL   70 - HN    ASN   35  12.00 +/- 2.10   1.496% *  0.3497% (0.76   0.02   0.02) =   0.012%
          HB2   SER   82 - HN    ASN   35  25.56 +/- 7.36   0.271% *  0.4417% (0.97   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    ASN   35  23.75 +/- 3.61   0.198% *  0.3497% (0.76   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ASN   35  27.27 +/- 2.73   0.112% *  0.2961% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  28.16 +/- 5.33   0.125% *  0.1881% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  29.77 +/- 2.89   0.084% *  0.1019% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 52.1:
          HA    GLU-  36 - HN    ASN   35   4.98 +/- 0.13  80.933% * 98.5259% (0.97   3.96  52.13) =  99.957%  kept
          HA    ALA  124 - HN    ASN   35  23.09 +/- 6.57   3.205% *  0.4129% (0.80   0.02   0.02) =   0.017%
          HA    ASN   28 - HN    ASN   35   9.33 +/- 0.55  12.870% *  0.1021% (0.20   0.02   0.02) =   0.016%
          HA    LYS+  81 - HN    ASN   35  25.93 +/- 5.04   0.896% *  0.5145% (1.00   0.02   0.02) =   0.006%
          HA    ARG+  54 - HN    ASN   35  27.83 +/- 3.61   0.572% *  0.3542% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  22.11 +/- 3.76   1.524% *  0.0903% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.14 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 = 0.373, support = 5.52, residual support = 50.0:
      O   HB2   ASN   35 - HN    ASN   35   3.16 +/- 0.43  73.575% * 71.1089% (0.31  10.0   5.84  54.60) =  90.667%  kept
          QE    LYS+  33 - HN    ASN   35   5.74 +/- 0.91  19.147% * 28.0638% (1.00   1.0   2.44   5.20) =   9.312%  kept
          QE    LYS+  65 - HN    ASN   35  18.74 +/- 4.56   2.469% *  0.1998% (0.87   1.0   0.02   0.02) =   0.009%
          HB2   ASN   28 - HN    ASN   35  11.00 +/- 0.71   2.014% *  0.2223% (0.97   1.0   0.02   0.02) =   0.008%
          HB2   ASP-  78 - HN    ASN   35  24.76 +/- 4.75   0.631% *  0.1583% (0.69   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   35  24.72 +/- 7.59   0.365% *  0.1490% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASN   35  14.29 +/- 2.85   1.092% *  0.0403% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HN    ASN   35  20.93 +/- 3.75   0.706% *  0.0574% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.45, residual support = 21.4:
          QB    ALA   34 - HN    ASN   35   3.01 +/- 0.05  83.916% * 98.0769% (0.92   3.45  21.39) =  99.948%  kept
          HG3   LYS+  38 - HN    ASN   35   7.74 +/- 0.70   5.495% *  0.3483% (0.57   0.02   0.02) =   0.023%
          QG2   THR   39 - HN    ASN   35   7.04 +/- 1.10   8.720% *  0.1899% (0.31   0.02   0.02) =   0.020%
          QG2   THR   23 - HN    ASN   35  14.65 +/- 1.21   0.787% *  0.6031% (0.98   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    ASN   35  21.72 +/- 2.44   0.258% *  0.4702% (0.76   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ASN   35  18.72 +/- 2.70   0.614% *  0.1218% (0.20   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ASN   35  22.97 +/- 2.30   0.210% *  0.1899% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 3.87, residual support = 105.7:
      O   HB2   ASN   28 - HD21  ASN   28   3.96 +/- 0.07  83.593% * 99.6076% (0.97  10.0   3.87 105.69) =  99.984%  kept
          HB2   ASP-  86 - HD21  ASN   28  17.25 +/- 8.18   5.447% *  0.0953% (0.92   1.0   0.02   0.02) =   0.006%
          QE    LYS+  33 - HD21  ASN   28  11.62 +/- 1.16   3.758% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD21  ASN   28  18.79 +/- 4.03   1.764% *  0.1032% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  17.20 +/- 4.87   3.552% *  0.0387% (0.38   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HD21  ASN   28  14.39 +/- 1.19   1.886% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.49, residual support = 105.4:
      O   HB3   ASN   28 - HD21  ASN   28   4.03 +/- 0.05  78.559% * 97.4434% (0.90  10.0   3.50 105.69) =  99.729%  kept
          HG2   GLN   30 - HD21  ASN   28   8.69 +/- 0.58   8.155% *  2.4369% (1.00   1.0   0.45  17.39) =   0.259%  kept
          QE    LYS+ 121 - HD21  ASN   28  21.89 +/- 5.61  11.047% *  0.0789% (0.73   1.0   0.02   0.02) =   0.011%
          HB3   HIS  122 - HD21  ASN   28  22.98 +/- 5.41   2.238% *  0.0408% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.82, residual support = 14.3:
          QG2   VAL   24 - HD21  ASN   28   2.22 +/- 0.51  81.517% * 96.8607% (0.76   1.83  14.35) =  99.731%  kept
          HG    LEU   63 - HD21  ASN   28  18.25 +/- 4.48  16.448% *  1.2427% (0.90   0.02   0.02) =   0.258%  kept
          HG3   LYS+ 112 - HD21  ASN   28  23.84 +/- 5.58   0.347% *  1.3373% (0.97   0.02   0.02) =   0.006%
          HB2   LEU  104 - HD21  ASN   28  18.21 +/- 5.18   1.426% *  0.2138% (0.15   0.02   0.02) =   0.004%
          QG2   VAL  108 - HD21  ASN   28  17.35 +/- 3.20   0.261% *  0.3455% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.92 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 = 5.66, residual support = 50.7:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.02  98.412% * 99.7755% (1.00  10.0   5.66  50.66) =  99.999%  kept
          HA    ALA   91 - HN    ASN   28  22.06 +/- 3.75   0.594% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  21.89 +/- 3.22   0.618% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASN   28  26.12 +/- 4.13   0.376% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 6.51, residual support = 14.4:
          HA    VAL   24 - HN    ASN   28   3.83 +/- 0.37  94.488% * 99.5266% (0.92   6.51  14.35) =  99.991%  kept
          HD2   PRO   68 - HN    ASN   28  19.29 +/- 3.07   1.494% *  0.2009% (0.61   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    ASN   28  16.85 +/- 2.84   2.179% *  0.1362% (0.41   0.02   0.02) =   0.003%
          HA    LYS+  38 - HN    ASN   28  14.96 +/- 0.85   1.840% *  0.1362% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.37 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 = 5.59, residual support = 50.7:
          HB2   TRP   27 - HN    ASN   28   3.09 +/- 0.37  98.489% * 99.2742% (0.80   5.59  50.66) =  99.994%  kept
          HA    THR   77 - HN    ASN   28  15.82 +/- 4.17   1.103% *  0.3706% (0.84   0.02   0.02) =   0.004%
          HD2   PRO   93 - HN    ASN   28  22.42 +/- 2.84   0.408% *  0.3552% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.48 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 = 6.97, residual support = 105.7:
      O   HB2   ASN   28 - HN    ASN   28   2.47 +/- 0.18  95.086% * 99.6076% (0.97  10.0   6.97 105.69) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   28   9.27 +/- 1.27   2.360% *  0.0926% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   28  19.09 +/- 8.04   0.890% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.28 +/- 1.08   0.699% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  18.09 +/- 3.50   0.407% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  18.12 +/- 4.87   0.559% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 6.45, residual support = 103.7:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  72.287% * 91.3798% (0.90  10.0   6.56 105.69) =  97.722%  kept
          HG2   GLN   30 - HN    ASN   28   5.81 +/- 0.61  18.025% *  8.5079% (1.00   1.0   1.67  17.39) =   2.269%  kept
          QE    LYS+ 121 - HN    ASN   28  21.32 +/- 5.76   7.608% *  0.0740% (0.73   1.0   0.02   0.02) =   0.008%
          HB3   HIS  122 - HN    ASN   28  22.28 +/- 5.31   2.081% *  0.0382% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 0.546, support = 2.55, residual support = 18.2:
          HG3   GLU-  29 - HN    ASN   28   5.35 +/- 0.57  48.019% * 44.3971% (0.20   4.04  32.63) =  49.996%  kept
          HB2   GLU-  25 - HN    ASN   28   5.67 +/- 0.20  40.161% * 52.8897% (0.90   1.06   3.88) =  49.813%  kept
          QG    GLN   17 - HN    ASN   28  13.99 +/- 2.70   4.528% *  0.8896% (0.80   0.02   0.02) =   0.094%
          HB    VAL   70 - HN    ASN   28  15.53 +/- 2.11   2.382% *  0.8068% (0.73   0.02   0.02) =   0.045%
          HB2   MET   96 - HN    ASN   28  14.55 +/- 3.16   3.390% *  0.3429% (0.31   0.02   0.02) =   0.027%
          HB2   LYS+  38 - HN    ASN   28  17.07 +/- 1.01   1.520% *  0.6739% (0.61   0.02   0.02) =   0.024%
    Distance limit 4.69 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.483, support = 3.55, residual support = 14.3:
          QG2   VAL   24 - HN    ASN   28   3.57 +/- 0.27  66.827% * 57.5790% (0.45   3.97  14.35) =  77.666%  kept
          QG1   VAL   24 - HN    ASN   28   4.99 +/- 0.39  26.744% * 41.3083% (0.61   2.10  14.35) =  22.298%  kept
          HG    LEU   63 - HN    ASN   28  18.08 +/- 3.70   4.873% *  0.1998% (0.31   0.02   0.02) =   0.020%
          QG1   VAL  107 - HN    ASN   28  17.19 +/- 3.24   1.149% *  0.5977% (0.92   0.02   0.02) =   0.014%
          HD3   LYS+ 112 - HN    ASN   28  25.45 +/- 5.68   0.407% *  0.3151% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.64 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 = 0.379, support = 2.77, residual support = 1.13:
          QD2   LEU   80 - HN    ASN   28  12.34 +/- 7.00  23.495% * 51.2205% (0.45   2.70   1.20) =  50.546%  kept
          QD1   LEU   73 - HN    ASN   28   6.48 +/- 3.86  38.986% * 23.3716% (0.15   3.58   1.35) =  38.270%  kept
          QG1   VAL   83 - HN    ASN   28  13.66 +/- 6.57   9.223% * 14.7152% (1.00   0.35   0.02) =   5.701%  kept
          QD1   LEU  104 - HN    ASN   28  15.58 +/- 4.33  13.090% *  9.7353% (0.69   0.34   0.02) =   5.353%  kept
          QD1   LEU   63 - HN    ASN   28  14.27 +/- 3.46  11.125% *  0.1305% (0.15   0.02   0.02) =   0.061%
          QG2   ILE   89 - HN    ASN   28  16.58 +/- 4.84   1.799% *  0.4790% (0.57   0.02   0.02) =   0.036%
          QD2   LEU  115 - HN    ASN   28  17.94 +/- 4.26   2.282% *  0.3478% (0.41   0.02   0.02) =   0.033%
    Distance limit 4.93 A violated in 1 structures by 0.17 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.03, residual support = 23.1:
          HA    VAL   24 - HN    TRP   27   3.00 +/- 0.19  95.780% * 99.0229% (0.99   3.03  23.09) =  99.993%  kept
          HA    LYS+  38 - HN    TRP   27  15.95 +/- 1.11   0.693% *  0.4788% (0.73   0.02   0.02) =   0.004%
          HA    ALA   61 - HN    TRP   27  15.63 +/- 2.76   1.147% *  0.1155% (0.18   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    TRP   27  18.88 +/- 2.38   0.499% *  0.2035% (0.31   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    ALA   91  19.08 +/- 3.92   0.586% *  0.0807% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  17.33 +/- 3.52   0.859% *  0.0143% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  28.25 +/- 2.80   0.139% *  0.0592% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  23.55 +/- 3.50   0.296% *  0.0251% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.39, residual support = 107.2:
      O   HB2   TRP   27 - HN    TRP   27   2.12 +/- 0.11  94.048% * 99.8160% (0.99  10.0   5.39 107.19) =  99.999%  kept
          HA    THR   77 - HN    TRP   27  15.16 +/- 4.19   0.634% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ALA   91   7.45 +/- 0.68   2.517% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.82 +/- 1.75   2.514% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.72 +/- 2.65   0.111% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  19.55 +/- 3.82   0.177% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 107.2:
      O   HB3   TRP   27 - HN    TRP   27   3.08 +/- 0.29  88.691% * 99.6559% (0.99  10.0   5.64 107.19) =  99.994%  kept
          HB2   PHE   97 - HN    TRP   27  17.70 +/- 3.87   3.192% *  0.0986% (0.98   1.0   0.02   0.02) =   0.004%
          QE    LYS+  99 - HN    TRP   27  16.24 +/- 3.34   1.672% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    TRP   27  18.68 +/- 3.49   0.631% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.46 +/- 3.13   0.853% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  17.69 +/- 1.69   0.567% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.23 +/- 3.56   0.775% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  14.99 +/- 2.82   1.001% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  19.21 +/- 3.92   0.478% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.68 +/- 3.11   1.090% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  19.36 +/- 1.87   0.383% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  23.63 +/- 2.08   0.214% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  21.43 +/- 2.72   0.310% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  27.72 +/- 2.67   0.141% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.696, residual support = 1.37:
          HB3   CYS   21 - HN    TRP   27   5.09 +/- 2.57  76.332% * 96.0996% (0.53   0.70   1.38) =  99.514%  kept
          HG2   MET   96 - HN    TRP   27  15.59 +/- 3.14   9.654% *  3.1692% (0.61   0.02   0.02) =   0.415%  kept
          HG2   MET   96 - HN    ALA   91  15.40 +/- 2.67   9.142% *  0.3916% (0.07   0.02   0.02) =   0.049%
          HB3   CYS   21 - HN    ALA   91  19.63 +/- 4.83   4.872% *  0.3397% (0.07   0.02   0.02) =   0.022%
    Distance limit 4.35 A violated in 9 structures by 1.57 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.45, residual support = 22.7:
          QG2   THR   26 - HN    TRP   27   3.37 +/- 0.33  80.266% * 94.6624% (0.98   4.46  22.70) =  99.847%  kept
          HB2   LYS+  74 - HN    TRP   27  11.63 +/- 2.02   2.827% *  3.3516% (0.80   0.19   0.02) =   0.125%  kept
          HG    LEU  104 - HN    TRP   27  18.99 +/- 4.97   3.717% *  0.1204% (0.28   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HN    TRP   27  22.83 +/- 5.53   1.030% *  0.4320% (1.00   0.02   0.02) =   0.006%
          HG2   LYS+  65 - HN    TRP   27  17.63 +/- 3.14   1.012% *  0.4320% (1.00   0.02   0.02) =   0.006%
          QD    LYS+  66 - HN    TRP   27  19.09 +/- 3.20   1.106% *  0.3309% (0.76   0.02   0.02) =   0.005%
          HB3   LYS+ 121 - HN    TRP   27  22.59 +/- 4.98   0.904% *  0.1204% (0.28   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  14.13 +/- 2.00   1.411% *  0.0758% (0.18   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    TRP   27  15.84 +/- 2.44   1.011% *  0.0857% (0.20   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA   91  16.70 +/- 2.33   0.915% *  0.0428% (0.10   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    ALA   91  20.89 +/- 3.94   0.793% *  0.0409% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  24.55 +/- 4.14   0.342% *  0.0857% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  21.54 +/- 3.11   0.512% *  0.0534% (0.12   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  19.90 +/- 2.99   0.510% *  0.0524% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  15.60 +/- 2.94   1.507% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  23.78 +/- 1.85   0.257% *  0.0534% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  16.02 +/- 2.55   1.049% *  0.0106% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  23.22 +/- 2.00   0.287% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.64 +/- 1.87   0.265% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  23.78 +/- 2.43   0.279% *  0.0106% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.925, support = 3.22, residual support = 20.7:
          QD1   LEU   73 - HN    TRP   27   5.73 +/- 3.53  35.636% * 57.4027% (1.00   3.42  26.23) =  71.144%  kept
          QD2   LEU   80 - HN    TRP   27  11.81 +/- 7.24  21.076% * 37.0675% (0.76   2.88   7.34) =  27.171%  kept
          QD1   LEU  104 - HN    TRP   27  15.94 +/- 4.52  10.102% *  4.2523% (0.53   0.48   0.02) =   1.494%  kept
          QD2   LEU  115 - HN    TRP   27  17.21 +/- 4.31   7.456% *  0.2693% (0.80   0.02   0.02) =   0.070%
          QD1   LEU   63 - HN    TRP   27  13.82 +/- 2.94   5.796% *  0.3356% (1.00   0.02   0.02) =   0.068%
          QG1   VAL   83 - HN    TRP   27  13.65 +/- 6.36   3.156% *  0.2160% (0.15   0.08   0.02) =   0.024%
          QD2   LEU   63 - HN    TRP   27  14.47 +/- 2.30   1.971% *  0.2040% (0.61   0.02   0.02) =   0.014%
          QG2   VAL   41 - HN    TRP   27   9.49 +/- 2.93   4.802% *  0.0455% (0.14   0.02   0.42) =   0.008%
          QD2   LEU   80 - HN    ALA   91  12.27 +/- 1.43   1.592% *  0.0318% (0.09   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    ALA   91  15.01 +/- 2.69   1.152% *  0.0415% (0.12   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ALA   91  14.56 +/- 2.80   1.142% *  0.0415% (0.12   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   91  14.45 +/- 1.59   1.061% *  0.0333% (0.10   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  15.70 +/- 2.80   1.124% *  0.0252% (0.07   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.14 +/- 1.08   2.910% *  0.0064% (0.02   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  20.14 +/- 1.69   0.345% *  0.0219% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.98 +/- 2.15   0.682% *  0.0056% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 1 structures by 0.21 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.903, support = 0.02, residual support = 0.729:
          QG2   VAL   75 - HN    TRP   27   9.75 +/- 3.21  40.167% * 43.3149% (0.95   0.02   0.97) =  59.988%  kept
          QG2   VAL   42 - HN    TRP   27  12.44 +/- 1.93  20.768% * 45.6877% (1.00   0.02   0.44) =  32.716%  kept
          QG2   VAL   75 - HN    ALA   91  10.84 +/- 2.59  30.404% *  5.3521% (0.12   0.02   0.02) =   5.611%  kept
          QG2   VAL   42 - HN    ALA   91  15.17 +/- 2.02   8.661% *  5.6453% (0.12   0.02   0.02) =   1.686%  kept
    Distance limit 4.54 A violated in 18 structures by 3.08 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 = 107.1:
          HA    TRP   27 - HE1   TRP   27   6.24 +/- 0.22  87.272% * 98.3445% (1.00   2.70 107.19) =  99.911%  kept
          HA    ALA   91 - HE1   TRP   27  18.73 +/- 4.24   5.416% *  0.6905% (0.95   0.02   0.02) =   0.044%
          HA    VAL  107 - HE1   TRP   27  18.66 +/- 3.88   4.973% *  0.6097% (0.84   0.02   0.02) =   0.035%
          HA    PRO   52 - HE1   TRP   27  23.64 +/- 3.74   2.339% *  0.3553% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.91 A violated in 4 structures by 1.33 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.88, support = 1.76, residual support = 19.1:
          QD1   LEU   73 - HE1   TRP   27   6.26 +/- 3.77  31.701% * 45.1730% (0.87   2.03  26.23) =  65.649%  kept
          QD2   LEU   80 - HE1   TRP   27  11.05 +/- 6.40  13.710% * 39.8593% (0.99   1.57   7.34) =  25.052%  kept
          QD1   LEU  104 - HE1   TRP   27  14.20 +/- 4.36  10.577% *  9.9489% (0.87   0.45   0.02) =   4.824%  kept
          QG1   VAL   83 - HE1   TRP   27  10.94 +/- 7.02  22.723% *  3.9209% (0.41   0.37   0.02) =   4.084%  kept
          QD1   LEU   63 - HE1   TRP   27  12.70 +/- 3.60  12.328% *  0.4444% (0.87   0.02   0.02) =   0.251%  kept
          QD2   LEU  115 - HE1   TRP   27  16.20 +/- 4.13   4.756% *  0.5112% (1.00   0.02   0.02) =   0.111%  kept
          QD2   LEU   63 - HE1   TRP   27  13.51 +/- 3.26   4.205% *  0.1424% (0.28   0.02   0.02) =   0.027%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.441, support = 1.83, residual support = 18.6:
          QD2   LEU   31 - HE1   TRP   27   3.73 +/- 0.58  77.754% * 54.2135% (0.31   2.14  22.06) =  80.539%  kept
          QG2   VAL   43 - HE1   TRP   27   7.90 +/- 3.25  22.246% * 45.7865% (0.99   0.56   4.24) =  19.461%  kept
    Distance limit 3.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.78, residual support = 32.0:
          HB2   GLU-  25 - HN    THR   26   2.83 +/- 0.30  83.788% * 98.9915% (0.90   5.78  32.03) =  99.979%  kept
          HG3   GLU-  29 - HN    THR   26   5.53 +/- 0.72  13.296% *  0.0756% (0.20   0.02   0.68) =   0.012%
          QG    GLN   17 - HN    THR   26  13.49 +/- 2.77   1.641% *  0.3059% (0.80   0.02   0.02) =   0.006%
          HB    VAL   70 - HN    THR   26  17.10 +/- 1.69   0.462% *  0.2774% (0.73   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    THR   26  19.66 +/- 1.18   0.291% *  0.2317% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  16.72 +/- 2.72   0.522% *  0.1179% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 32.0:
          HB3   GLU-  25 - HN    THR   26   3.45 +/- 0.24  67.470% * 95.4730% (0.57   5.23  32.03) =  99.818%  kept
          HG3   GLN   30 - HN    THR   26   7.05 +/- 0.81   9.543% *  0.5390% (0.84   0.02   4.85) =   0.080%
          HB2   GLN   30 - HN    THR   26   8.15 +/- 0.77   5.766% *  0.3395% (0.53   0.02   4.85) =   0.030%
          HB2   GLN   17 - HN    THR   26  14.53 +/- 3.25   2.147% *  0.4932% (0.76   0.02   0.02) =   0.016%
          HB    ILE   19 - HN    THR   26   9.02 +/- 1.97   7.633% *  0.1277% (0.20   0.02   0.02) =   0.015%
          HB    ILE  119 - HN    THR   26  24.12 +/- 5.77   2.699% *  0.3395% (0.53   0.02   0.02) =   0.014%
          QB    GLU-  15 - HN    THR   26  14.94 +/- 2.43   1.232% *  0.4932% (0.76   0.02   0.02) =   0.009%
          HB3   GLU- 100 - HN    THR   26  20.15 +/- 4.18   1.307% *  0.3914% (0.61   0.02   0.02) =   0.008%
          HB3   PRO   68 - HN    THR   26  21.87 +/- 2.56   0.341% *  0.6439% (1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    THR   26  27.18 +/- 4.35   0.214% *  0.5390% (0.84   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    THR   26  24.74 +/- 5.62   0.576% *  0.1609% (0.25   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    THR   26  22.51 +/- 4.18   0.472% *  0.1609% (0.25   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  24.30 +/- 2.72   0.218% *  0.1992% (0.31   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  21.86 +/- 2.93   0.381% *  0.0996% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.02 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   3.58 +/- 0.11  89.950% * 98.0816% (0.95   4.45  34.85) =  99.969%  kept
          HB2   LYS+  74 - HN    THR   26  13.05 +/- 2.38   2.368% *  0.4617% (0.99   0.02   0.02) =   0.012%
          HD2   LYS+ 121 - HN    THR   26  24.70 +/- 5.66   1.081% *  0.3891% (0.84   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HN    THR   26  19.03 +/- 3.29   0.935% *  0.4177% (0.90   0.02   0.02) =   0.004%
          QB    ALA  120 - HN    THR   26  22.19 +/- 5.49   2.625% *  0.1161% (0.25   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  17.91 +/- 2.33   0.864% *  0.2088% (0.45   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    THR   26  20.53 +/- 3.17   0.864% *  0.2088% (0.45   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    THR   26  22.58 +/- 4.80   1.313% *  0.1161% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.84 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  10.01 +/- 0.42  29.131% * 11.0578% (0.69   0.02   0.02) =  32.264%  kept
          HG2   LYS+  99 - HN    THR   26  19.90 +/- 4.20  10.150% * 15.5357% (0.97   0.02   0.02) =  15.795%  kept
          HB3   LEU   80 - HN    THR   26  17.30 +/- 7.67  17.157% *  8.4695% (0.53   0.02   0.02) =  14.554%  kept
          QB    ALA   88 - HN    THR   26  20.57 +/- 4.70   6.800% * 13.9639% (0.87   0.02   0.02) =   9.510%  kept
          QG2   THR   77 - HN    THR   26  14.73 +/- 2.75  11.222% *  7.8357% (0.49   0.02   0.02) =   8.807%  kept
          HG2   LYS+  38 - HN    THR   26  19.61 +/- 1.08   3.933% * 16.0623% (1.00   0.02   0.02) =   6.327%  kept
          HB2   LEU   63 - HN    THR   26  18.48 +/- 2.99   8.116% *  6.6181% (0.41   0.02   0.02) =   5.379%  kept
          HB3   ASP-  44 - HN    THR   26  16.71 +/- 2.02   6.981% *  4.9686% (0.31   0.02   0.02) =   3.474%  kept
          HG2   LYS+ 111 - HN    THR   26  27.39 +/- 4.45   1.983% * 12.3026% (0.76   0.02   0.02) =   2.444%  kept
          QB    ALA  124 - HN    THR   26  24.56 +/- 5.47   4.527% *  3.1858% (0.20   0.02   0.02) =   1.444%  kept
    Distance limit 4.60 A violated in 20 structures by 4.29 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 33.6:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.03  97.452% * 99.8455% (0.92  10.0   5.64  33.65) =  99.999%  kept
          HA    ALA   61 - HN    GLU-  25  18.10 +/- 3.18   1.390% *  0.0445% (0.41   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    GLU-  25  22.24 +/- 2.83   0.517% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.41 +/- 1.00   0.640% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 127.3:
      O   HB2   GLU-  25 - HN    GLU-  25   2.93 +/- 0.35  87.248% * 99.5608% (0.61  10.0   6.13 127.34) =  99.991%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.29 +/- 0.84   6.660% *  0.0736% (0.45   1.0   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    GLU-  25   8.86 +/- 0.72   3.957% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  15.23 +/- 3.04   1.228% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.47 +/- 1.08   0.245% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  18.60 +/- 1.91   0.403% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  23.13 +/- 4.71   0.258% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.84, residual support = 127.3:
      O   HB3   GLU-  25 - HN    GLU-  25   2.45 +/- 0.63  87.273% * 98.7761% (0.57  10.0   5.85 127.34) =  99.985%  kept
          HG3   GLN   30 - HN    GLU-  25   9.48 +/- 0.77   2.509% *  0.1457% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   GLN   17 - HN    GLU-  25  16.54 +/- 3.66   1.422% *  0.1333% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    GLU-  25  10.18 +/- 0.75   1.867% *  0.0918% (0.53   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    GLU-  25  25.03 +/- 5.99   1.751% *  0.0918% (0.53   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    GLU-  25  16.96 +/- 2.76   0.769% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLU-  25  21.23 +/- 4.87   0.856% *  0.1058% (0.61   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  11.21 +/- 1.96   1.856% *  0.0345% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLU-  25  27.05 +/- 4.88   0.227% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  23.59 +/- 3.01   0.180% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  22.62 +/- 4.56   0.496% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  24.55 +/- 5.87   0.387% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  23.93 +/- 3.08   0.176% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  23.45 +/- 3.45   0.232% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 3.32, residual support = 6.36:
          QG2   THR   23 - HN    GLU-  25   3.91 +/- 0.87  88.762% * 98.6379% (0.73   3.32   6.36) =  99.954%  kept
          QG2   THR   77 - HN    GLU-  25  14.23 +/- 2.78   3.081% *  0.5940% (0.73   0.02   0.02) =   0.021%
          QB    ALA   34 - HN    GLU-  25  11.94 +/- 0.80   4.061% *  0.3070% (0.38   0.02   0.02) =   0.014%
          QB    ALA   88 - HN    GLU-  25  19.41 +/- 4.93   2.573% *  0.2790% (0.34   0.02   0.02) =   0.008%
          QG2   ILE   56 - HN    GLU-  25  19.79 +/- 3.69   1.522% *  0.1821% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.49, residual support = 33.6:
          QG2   VAL   24 - HN    GLU-  25   3.33 +/- 0.48  97.031% * 99.2256% (0.97   4.49  33.65) =  99.991%  kept
          HG    LEU   63 - HN    GLU-  25  20.24 +/- 3.58   1.273% *  0.3972% (0.87   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    GLU-  25  18.84 +/- 3.66   1.034% *  0.1719% (0.38   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HN    GLU-  25  25.22 +/- 6.23   0.662% *  0.2053% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.75 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 = 5.26, residual support = 127.3:
          HG2   GLU-  25 - HN    GLU-  25   3.70 +/- 0.74  94.375% * 99.4293% (0.97   5.26 127.34) =  99.992%  kept
          HG2   GLN  116 - HN    GLU-  25  25.81 +/- 6.80   1.542% *  0.1611% (0.41   0.02   0.02) =   0.003%
          HB3   PHE   95 - HN    GLU-  25  19.33 +/- 2.76   0.972% *  0.1908% (0.49   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    GLU-  25  20.14 +/- 5.77   1.456% *  0.1210% (0.31   0.02   0.02) =   0.002%
          HG3   GLN  116 - HN    GLU-  25  26.15 +/- 7.08   1.655% *  0.0977% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.61 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 = 64.8:
      O   HA    VAL   24 - HN    VAL   24   2.72 +/- 0.06  98.281% * 99.8455% (0.92  10.0   4.34  64.79) =  99.999%  kept
          HA    ALA   61 - HN    VAL   24  16.43 +/- 3.27   1.206% *  0.0445% (0.41   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   24  21.40 +/- 2.76   0.244% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.94 +/- 1.37   0.269% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 64.8:
      O   HB    VAL   24 - HN    VAL   24   2.51 +/- 0.31  91.335% * 99.7135% (0.95  10.0   4.68  64.79) =  99.997%  kept
          HB3   GLU-  79 - HN    VAL   24  12.19 +/- 6.72   7.142% *  0.0163% (0.15   1.0   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    VAL   24  12.24 +/- 0.76   0.913% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  21.25 +/- 4.08   0.399% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  23.13 +/- 2.92   0.210% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 25.7:
          QG2   THR   23 - HN    VAL   24   3.96 +/- 0.48  86.971% * 99.1623% (0.73   5.43  25.73) =  99.964%  kept
          QG2   THR   77 - HN    VAL   24  12.29 +/- 2.76   4.613% *  0.3653% (0.73   0.02   0.02) =   0.020%
          QB    ALA   34 - HN    VAL   24  12.32 +/- 1.02   3.512% *  0.1888% (0.38   0.02   0.02) =   0.008%
          QB    ALA   88 - HN    VAL   24  17.70 +/- 4.74   2.980% *  0.1716% (0.34   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    VAL   24  18.01 +/- 3.77   1.923% *  0.1120% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.845, support = 4.17, residual support = 64.8:
          QG1   VAL   24 - HN    VAL   24   2.10 +/- 0.41  75.982% * 77.1646% (0.90   4.08  64.79) =  92.615%  kept
          QG2   VAL   24 - HN    VAL   24   3.60 +/- 0.19  21.308% * 21.9033% (0.20   5.25  64.79) =   7.372%  kept
          QG1   VAL  107 - HN    VAL   24  17.42 +/- 3.73   1.454% *  0.4176% (0.99   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - HN    VAL   24  24.16 +/- 6.67   0.240% *  0.3374% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.37 +/- 0.59   0.483% *  0.0938% (0.22   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    VAL   24  21.75 +/- 5.23   0.532% *  0.0834% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 2.06, residual support = 3.35:
          QD1   LEU   73 - HN    VAL   24   7.27 +/- 3.24  33.045% * 55.1932% (1.00   2.05   2.64) =  58.601%  kept
          QD2   LEU   80 - HN    VAL   24  10.77 +/- 7.15  29.676% * 43.0718% (0.76   2.09   4.40) =  41.068%  kept
          QD2   LEU  115 - HN    VAL   24  17.51 +/- 4.89  10.730% *  0.4313% (0.80   0.02   0.02) =   0.149%  kept
          QD1   LEU  104 - HN    VAL   24  17.98 +/- 4.73  10.893% *  0.2834% (0.53   0.02   0.02) =   0.099%
          QD1   LEU   63 - HN    VAL   24  14.94 +/- 2.98   2.126% *  0.5375% (1.00   0.02   0.02) =   0.037%
          QG1   VAL   83 - HN    VAL   24  12.53 +/- 6.23   7.185% *  0.0831% (0.15   0.02   0.02) =   0.019%
          QD2   LEU   63 - HN    VAL   24  15.80 +/- 2.46   1.450% *  0.3267% (0.61   0.02   0.02) =   0.015%
          QG2   VAL   41 - HN    VAL   24  11.92 +/- 2.93   4.896% *  0.0729% (0.14   0.02   0.02) =   0.011%
    Distance limit 3.82 A violated in 4 structures by 0.84 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.0, residual support = 21.6:
          HB2   HIS   22 - HN    THR   23   4.39 +/- 0.19  95.890% * 99.6097% (0.99   5.00  21.60) =  99.992%  kept
          HA    LEU   63 - HN    THR   23  17.66 +/- 2.42   1.950% *  0.3359% (0.84   0.02   0.02) =   0.007%
          HA2   GLY  101 - HN    THR   23  21.11 +/- 4.66   2.160% *  0.0544% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.57 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 = 5.61, residual support = 21.6:
          HB3   HIS   22 - HN    THR   23   4.22 +/- 0.29  94.586% * 99.7166% (0.76   5.61  21.60) =  99.991%  kept
          HD3   ARG+  54 - HN    THR   23  22.55 +/- 5.34   3.972% *  0.1913% (0.41   0.02   0.02) =   0.008%
          HB2   PHE   95 - HN    THR   23  18.20 +/- 2.17   1.442% *  0.0921% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.35, residual support = 3.8:
          HB3   CYS   21 - HN    THR   23   4.33 +/- 1.16 100.000% *100.0000% (1.00   2.35   3.80) = 100.000%  kept
    Distance limit 4.53 A violated in 0 structures by 0.46 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.732, support = 1.9, residual support = 12.5:
          QG2   THR   26 - HN    THR   23   4.47 +/- 0.39  73.440% * 81.6066% (0.73   1.96  12.92) =  96.690%  kept
          HB2   LYS+  74 - HN    THR   23  10.18 +/- 3.77  13.335% * 14.7896% (0.95   0.27   0.02) =   3.182%  kept
          HG2   LYS+  65 - HN    THR   23  16.83 +/- 3.39   3.101% *  0.7436% (0.65   0.02   0.02) =   0.037%
          QB    ALA  120 - HN    THR   23  20.59 +/- 5.22   3.999% *  0.5595% (0.49   0.02   0.02) =   0.036%
          HB3   LEU   40 - HN    THR   23  17.70 +/- 2.39   1.407% *  0.8346% (0.73   0.02   0.02) =   0.019%
          HG    LEU  115 - HN    THR   23  20.02 +/- 4.43   1.806% *  0.5595% (0.49   0.02   0.02) =   0.016%
          HD2   LYS+ 121 - HN    THR   23  23.04 +/- 4.99   1.113% *  0.6507% (0.57   0.02   0.02) =   0.012%
          QD    LYS+  66 - HN    THR   23  18.81 +/- 2.94   1.799% *  0.2559% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.44 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.87, residual support = 19.1:
          QG2   THR   23 - HN    THR   23   3.03 +/- 0.57  93.210% * 97.7594% (0.41   4.88  19.14) =  99.960%  kept
          QG2   THR   77 - HN    THR   23  12.51 +/- 3.28   2.454% *  0.9412% (0.97   0.02   0.02) =   0.025%
          QB    ALA   88 - HN    THR   23  19.02 +/- 4.53   1.304% *  0.6309% (0.65   0.02   0.02) =   0.009%
          QB    ALA   34 - HN    THR   23  11.67 +/- 1.35   2.165% *  0.1505% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HN    THR   23  20.38 +/- 3.95   0.517% *  0.2171% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   23  21.10 +/- 1.53   0.350% *  0.3010% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.89 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 = 0.444, support = 0.888, residual support = 0.483:
          QD1   LEU   73 - HN    THR   23   6.61 +/- 3.05  32.857% * 46.9809% (0.53   0.86   0.48) =  63.057%  kept
          QD2   LEU   80 - HN    THR   23  11.39 +/- 7.51  20.296% * 26.7525% (0.20   1.30   0.51) =  22.180%  kept
          QD1   LEU   80 - HN    THR   23  12.56 +/- 7.84  16.201% * 20.3492% (0.45   0.44   0.51) =  13.468%  kept
          QG2   VAL   41 - HN    THR   23  11.28 +/- 3.00  10.335% *  1.3471% (0.65   0.02   0.02) =   0.569%  kept
          QD2   LEU   63 - HN    THR   23  14.52 +/- 2.11   2.489% *  2.0777% (1.00   0.02   0.02) =   0.211%  kept
          QD2   LEU  115 - HN    THR   23  16.55 +/- 4.23   9.838% *  0.4636% (0.22   0.02   0.02) =   0.186%  kept
          QD1   LEU   63 - HN    THR   23  13.77 +/- 2.57   3.743% *  1.0955% (0.53   0.02   0.02) =   0.168%  kept
          QD2   LEU   98 - HN    THR   23  13.91 +/- 3.26   4.240% *  0.9336% (0.45   0.02   0.02) =   0.162%  kept
    Distance limit 3.90 A violated in 4 structures by 0.82 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   3.15 +/- 0.60  94.434% * 99.9260% (0.98  10.0   3.46  35.25) =  99.996%  kept
          HD3   ARG+  54 - HN    HIS   22  22.70 +/- 5.87   5.566% *  0.0740% (0.73   1.0   0.02   0.02) =   0.004%
    Distance limit 4.11 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 = 0.325, support = 5.88, residual support = 145.7:
          HG3   ARG+  54 - HN    ARG+  54   3.60 +/- 0.66  47.741% * 74.1892% (0.26   6.70 168.99) =  86.205%  kept
          QB    ALA   57 - HN    ARG+  54   5.38 +/- 1.43  24.805% * 22.6225% (0.72   0.74   0.52) =  13.658%  kept
          HD3   LYS+ 111 - HN    ARG+  54  14.46 +/- 4.72   3.981% *  0.6374% (0.76   0.02   0.02) =   0.062%
          QB    ALA   57 - HN    ASP-  62   6.27 +/- 0.89  12.156% *  0.1138% (0.14   0.02   0.02) =   0.034%
          HD2   LYS+  74 - HN    ARG+  54  14.47 +/- 2.98   1.658% *  0.3569% (0.42   0.02   0.02) =   0.014%
          HD2   LYS+  74 - HN    ASP-  62   9.41 +/- 2.43   5.228% *  0.0668% (0.08   0.02   0.02) =   0.008%
          HB3   LEU  123 - HN    ARG+  54  22.20 +/- 1.72   0.255% *  0.7803% (0.93   0.02   0.02) =   0.005%
          QD    LYS+  33 - HN    ARG+  54  24.72 +/- 3.07   0.223% *  0.7803% (0.93   0.02   0.02) =   0.004%
          HB3   LEU  123 - HN    ASP-  62  14.63 +/- 1.49   0.903% *  0.1460% (0.17   0.02   0.02) =   0.003%
          QD    LYS+  33 - HN    ASP-  62  17.30 +/- 2.75   0.683% *  0.1460% (0.17   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HN    ASP-  62  17.83 +/- 2.41   0.624% *  0.1193% (0.14   0.02   0.02) =   0.002%
          HG3   ARG+  54 - HN    ASP-  62  12.59 +/- 2.43   1.743% *  0.0414% (0.05   0.02   0.02) =   0.002%
    Distance limit 4.33 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 = 3.43, residual support = 30.2:
      O   HB2   CYS   21 - HN    CYS   21   2.62 +/- 0.29  96.673% * 99.8975% (0.90  10.0   3.43  30.16) =  99.999%  kept
          HB2   CYS   21 - HN    ILE  119  18.99 +/- 3.92   0.758% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    CYS   21  14.53 +/- 3.42   0.701% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.34 +/- 1.45   1.122% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  21.57 +/- 2.43   0.219% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.50 +/- 1.08   0.528% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.43, residual support = 30.2:
      O   HB3   CYS   21 - HN    CYS   21   3.47 +/- 0.25  93.979% * 99.8170% (0.53  10.0   3.43  30.16) =  99.997%  kept
          HG2   MET   96 - HN    CYS   21  15.38 +/- 2.71   1.553% *  0.1151% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   CYS   21 - HN    ILE  119  19.83 +/- 4.65   2.922% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  15.02 +/- 2.91   1.547% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 4.02 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 = 0.54, support = 0.02, residual support = 0.167:
          HG    LEU  123 - HN    ILE  119   7.31 +/- 0.99  18.427% *  3.5886% (0.32   0.02   0.88) =  17.114%  kept
          HB    VAL   41 - HN    CYS   21  12.01 +/- 3.01   7.108% *  9.1141% (0.80   0.02   0.02) =  16.765%  kept
          HG    LEU  123 - HN    CYS   21  21.52 +/- 5.29   5.317% * 11.3569% (1.00   0.02   0.02) =  15.627%  kept
          QB    LYS+  66 - HN    CYS   21  14.39 +/- 3.15   4.187% *  6.9036% (0.61   0.02   0.02) =   7.480%  kept
          HG2   ARG+  54 - HN    CYS   21  19.83 +/- 5.44   6.294% *  3.8825% (0.34   0.02   0.02) =   6.325%  kept
          QB    LYS+  66 - HN    ILE  119  10.81 +/- 2.79   8.617% *  2.1815% (0.19   0.02   0.02) =   4.865%  kept
          HG12  ILE  103 - HN    CYS   21  17.25 +/- 2.17   1.469% * 10.5070% (0.92   0.02   0.02) =   3.995%  kept
          QB    LYS+  33 - HN    CYS   21  11.40 +/- 1.89   6.024% *  2.5341% (0.22   0.02   0.02) =   3.951%  kept
          HB3   ASP- 105 - HN    ILE  119  11.30 +/- 4.48  11.157% *  1.1101% (0.10   0.02   0.02) =   3.205%  kept
          HG12  ILE  103 - HN    ILE  119  16.29 +/- 3.81   3.003% *  3.3201% (0.29   0.02   0.02) =   2.580%  kept
          HB    VAL   41 - HN    ILE  119  15.28 +/- 3.04   3.169% *  2.8799% (0.25   0.02   0.02) =   2.362%  kept
          HB3   PRO   52 - HN    CYS   21  22.32 +/- 4.78   0.785% * 11.3569% (1.00   0.02   0.02) =   2.308%  kept
          HG3   PRO   68 - HN    CYS   21  17.58 +/- 3.07   1.782% *  4.6793% (0.41   0.02   0.02) =   2.158%  kept
          HG3   PRO   68 - HN    ILE  119  14.26 +/- 3.46   5.007% *  1.4786% (0.13   0.02   0.02) =   1.916%  kept
          HB3   ASP- 105 - HN    CYS   21  19.36 +/- 3.15   1.513% *  3.5131% (0.31   0.02   0.02) =   1.376%  kept
          HB3   PRO   52 - HN    ILE  119  17.39 +/- 1.92   1.453% *  3.5886% (0.32   0.02   0.02) =   1.350%  kept
          HB    ILE  103 - HN    CYS   21  19.30 +/- 2.30   1.152% *  4.2718% (0.38   0.02   0.02) =   1.273%  kept
          HG2   PRO   93 - HN    CYS   21  18.61 +/- 2.82   1.253% *  3.8825% (0.34   0.02   0.02) =   1.259%  kept
          QB    LYS+ 102 - HN    CYS   21  19.02 +/- 2.78   1.847% *  1.9934% (0.18   0.02   0.02) =   0.953%  kept
          HG2   PRO   93 - HN    ILE  119  13.17 +/- 1.71   2.992% *  1.2268% (0.11   0.02   0.02) =   0.950%  kept
          HB    ILE  103 - HN    ILE  119  17.90 +/- 3.86   1.772% *  1.3499% (0.12   0.02   0.02) =   0.619%  kept
          HG2   ARG+  54 - HN    ILE  119  15.88 +/- 1.83   1.863% *  1.2268% (0.11   0.02   0.02) =   0.592%  kept
          HB3   GLN   90 - HN    CYS   21  21.55 +/- 4.43   0.883% *  1.9934% (0.18   0.02   0.02) =   0.456%  kept
          QB    LYS+ 102 - HN    ILE  119  18.75 +/- 3.70   1.413% *  0.6299% (0.06   0.02   0.02) =   0.230%  kept
          QB    LYS+  33 - HN    ILE  119  20.64 +/- 3.17   1.016% *  0.8007% (0.07   0.02   0.02) =   0.210%  kept
          HB3   GLN   90 - HN    ILE  119  23.62 +/- 1.44   0.497% *  0.6299% (0.06   0.02   0.02) =   0.081%
    Distance limit 3.63 A violated in 18 structures by 2.35 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.572, support = 5.85, residual support = 132.9:
          QB    ALA   20 - HN    CYS   21   3.49 +/- 0.21  36.814% * 53.6373% (0.80   3.89  16.64) =  53.462%  kept
          HG13  ILE  119 - HN    ILE  119   3.40 +/- 0.79  39.426% * 43.3647% (0.31   8.14 267.92) =  46.290%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.33 +/- 0.69   4.906% *  1.5683% (0.13   0.70   7.26) =   0.208%  kept
          QG1   VAL   24 - HN    CYS   21   8.38 +/- 1.01   3.695% *  0.1062% (0.31   0.02   0.02) =   0.011%
          HB3   LEU   31 - HN    CYS   21  12.52 +/- 1.55   1.033% *  0.3321% (0.97   0.02   0.02) =   0.009%
          HG13  ILE  119 - HN    CYS   21  17.13 +/- 3.44   0.611% *  0.3373% (0.98   0.02   0.02) =   0.006%
          QG2   VAL  107 - HN    ILE  119   7.44 +/- 2.04   7.465% *  0.0242% (0.07   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - HN    ILE  119  10.56 +/- 2.16   1.923% *  0.0447% (0.13   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    ILE  119  20.15 +/- 4.76   2.085% *  0.0336% (0.10   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  16.34 +/- 3.34   0.698% *  0.0871% (0.25   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    CYS   21  21.02 +/- 3.47   0.289% *  0.1415% (0.41   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  21.33 +/- 5.04   0.261% *  0.1415% (0.41   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  20.63 +/- 4.00   0.347% *  0.1049% (0.30   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    CYS   21  15.67 +/- 1.40   0.449% *  0.0766% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 0.526, support = 1.92, residual support = 7.78:
          QD2   LEU   73 - HN    CYS   21   6.02 +/- 3.29  25.573% * 69.3462% (0.57   2.15   9.56) =  80.397%  kept
          QD1   ILE   19 - HN    CYS   21   5.90 +/- 0.87  16.760% * 17.5054% (0.22   1.38   0.71) =  13.301%  kept
          QG2   VAL   18 - HN    CYS   21   6.22 +/- 1.15  15.303% *  7.5179% (0.65   0.20   0.02) =   5.216%  kept
          QG1   VAL   43 - HN    CYS   21   9.95 +/- 3.71   9.364% *  0.9888% (0.87   0.02   0.02) =   0.420%  kept
          QG1   VAL   41 - HN    CYS   21  10.50 +/- 2.27   4.726% *  1.1174% (0.98   0.02   0.02) =   0.239%  kept
          QG2   THR   46 - HN    CYS   21  10.74 +/- 3.88   4.505% *  0.5997% (0.53   0.02   0.02) =   0.122%  kept
          HG    LEU   31 - HN    CYS   21  10.60 +/- 1.48   3.072% *  0.8278% (0.73   0.02   0.02) =   0.115%  kept
          QD1   ILE   56 - HN    ILE  119   7.77 +/- 0.82   6.983% *  0.1112% (0.10   0.02   0.02) =   0.035%
          QD2   LEU   73 - HN    ILE  119  14.15 +/- 3.19   3.383% *  0.2039% (0.18   0.02   0.02) =   0.031%
          QD1   ILE   56 - HN    CYS   21  14.87 +/- 3.42   1.857% *  0.3518% (0.31   0.02   0.02) =   0.030%
          QG1   VAL   41 - HN    ILE  119  13.56 +/- 2.59   1.725% *  0.3531% (0.31   0.02   0.02) =   0.028%
          QG1   VAL   43 - HN    ILE  119  12.88 +/- 1.61   1.561% *  0.3125% (0.27   0.02   0.02) =   0.022%
          QG2   VAL   18 - HN    ILE  119  13.37 +/- 2.35   1.722% *  0.2330% (0.20   0.02   0.02) =   0.018%
          HG    LEU   31 - HN    ILE  119  20.49 +/- 4.34   0.911% *  0.2616% (0.23   0.02   0.02) =   0.011%
          QG2   THR   46 - HN    ILE  119  13.85 +/- 1.99   1.209% *  0.1895% (0.17   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    ILE  119  15.37 +/- 3.00   1.346% *  0.0802% (0.07   0.02   0.02) =   0.005%
    Distance limit 4.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.456, support = 4.81, residual support = 9.39:
          QD1   LEU   73 - HN    CYS   21   5.80 +/- 3.67  24.468% * 81.1782% (0.53   4.85   9.56) =  84.234%  kept
          QD2   LEU  115 - HN    ILE  119   4.18 +/- 0.69  27.789% * 11.6377% (0.07   5.20   9.71) =  13.715%  kept
          QD1   LEU   63 - HN    ILE  119   7.48 +/- 2.32   9.007% *  4.3059% (0.17   0.81   0.02) =   1.645%  kept
          QG2   VAL   41 - HN    CYS   21   9.78 +/- 2.95   5.003% *  0.4119% (0.65   0.02   0.02) =   0.087%
          QD2   LEU   63 - HN    ILE  119   7.49 +/- 2.68   8.268% *  0.2008% (0.32   0.02   0.02) =   0.070%
          QD1   LEU   80 - HN    CYS   21  13.14 +/- 7.97   4.995% *  0.2855% (0.45   0.02   0.02) =   0.060%
          QD2   LEU   63 - HN    CYS   21  11.85 +/- 2.22   2.161% *  0.6354% (1.00   0.02   0.02) =   0.058%
          QD1   LEU   63 - HN    CYS   21  11.20 +/- 2.39   2.902% *  0.3350% (0.53   0.02   0.02) =   0.041%
          QD2   LEU   80 - HN    CYS   21  11.94 +/- 7.66   7.003% *  0.1260% (0.20   0.02   0.02) =   0.037%
          QD2   LEU   98 - HN    CYS   21  12.84 +/- 3.01   1.733% *  0.2855% (0.45   0.02   0.02) =   0.021%
          QD1   LEU   73 - HN    ILE  119  15.20 +/- 3.36   2.998% *  0.1059% (0.17   0.02   0.02) =   0.013%
          QG2   VAL   41 - HN    ILE  119  13.43 +/- 2.33   1.262% *  0.1302% (0.20   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    CYS   21  14.49 +/- 2.97   0.974% *  0.1418% (0.22   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    ILE  119  14.72 +/- 2.55   0.718% *  0.0902% (0.14   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ILE  119  20.84 +/- 3.96   0.311% *  0.0902% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  20.11 +/- 3.65   0.408% *  0.0398% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.314, support = 5.44, residual support = 54.0:
          HN    THR  118 - HN    ILE  119   2.53 +/- 0.14  78.921% * 45.9756% (0.28   5.84  60.12) =  86.335%  kept
          HN    GLN  116 - HN    ILE  119   4.77 +/- 0.31  12.253% * 45.1081% (0.53   3.03  15.93) =  13.151%  kept
          HN    GLU- 114 - HN    ILE  119   8.00 +/- 0.50   2.661% *  7.2634% (0.95   0.27   0.11) =   0.460%  kept
          HN    PHE   60 - HN    ILE  119   8.93 +/- 0.80   2.039% *  0.6101% (0.14   0.16   0.02) =   0.030%
          HN    LEU   71 - HN    ILE  119  15.07 +/- 3.93   1.430% *  0.5360% (0.95   0.02   0.02) =   0.018%
          HN    LEU   71 - HN    CYS   21  12.76 +/- 2.80   0.881% *  0.1694% (0.30   0.02   0.02) =   0.004%
          HN    GLU- 114 - HN    CYS   21  21.38 +/- 3.28   0.172% *  0.1694% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - HN    CYS   21  19.46 +/- 3.48   0.282% *  0.0942% (0.17   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  14.68 +/- 3.34   1.081% *  0.0242% (0.04   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  19.22 +/- 3.43   0.281% *  0.0498% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.669, support = 2.63, residual support = 20.2:
          HN    HIS  122 - HN    ILE  119   5.26 +/- 0.17  23.853% * 74.9950% (1.00   2.39  17.70) =  57.350%  kept
          QE    PHE   59 - HN    ILE  119   3.54 +/- 0.78  62.435% * 20.9932% (0.22   3.00  23.61) =  42.020%  kept
          HN    PHE   59 - HN    ILE  119   8.19 +/- 1.02   6.512% *  2.8315% (0.57   0.16  23.61) =   0.591%  kept
          HH2   TRP   87 - HN    CYS   21  18.35 +/- 8.14   2.357% *  0.1982% (0.32   0.02   0.02) =   0.015%
          HH2   TRP   87 - HN    ILE  119  22.38 +/- 4.03   0.501% *  0.6272% (1.00   0.02   0.02) =   0.010%
          HN    PHE   59 - HN    CYS   21  16.58 +/- 3.81   2.291% *  0.1125% (0.18   0.02   0.02) =   0.008%
          HN    HIS  122 - HN    CYS   21  19.49 +/- 3.48   0.626% *  0.1982% (0.32   0.02   0.02) =   0.004%
          QE    PHE   59 - HN    CYS   21  14.69 +/- 2.26   1.425% *  0.0442% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.39, residual support = 16.6:
          HN    ALA   20 - HN    CYS   21   4.23 +/- 0.19  98.065% * 99.8137% (0.95   3.39  16.64) =  99.996%  kept
          HN    ALA   20 - HN    ILE  119  19.17 +/- 3.76   1.935% *  0.1863% (0.30   0.02   0.02) =   0.004%
    Distance limit 4.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 5.81, residual support = 53.1:
        T HN    ALA  120 - HN    ILE  119   2.67 +/- 0.14  79.024% * 94.1732% (1.00 10.00   5.85  53.45) =  99.057%  kept
          HE21  GLN  116 - HN    ILE  119   5.22 +/- 0.91  13.186% *  5.3383% (0.80  1.00   1.42  15.93) =   0.937%  kept
        T HN    ALA  120 - HN    CYS   21  19.97 +/- 4.18   1.021% *  0.2976% (0.32 10.00   0.02   0.02) =   0.004%
          HN    ALA   57 - HN    ILE  119  10.97 +/- 1.08   1.289% *  0.0684% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HN    ILE  119  10.87 +/- 0.45   1.207% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  17.35 +/- 4.65   1.080% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  20.91 +/- 4.83   0.482% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  19.64 +/- 4.56   0.654% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.27 +/- 2.03   1.165% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  22.90 +/- 5.04   0.649% *  0.0074% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  26.35 +/- 1.53   0.086% *  0.0186% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  23.33 +/- 5.11   0.157% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.74, residual support = 60.1:
          HB    THR  118 - HN    ILE  119   3.25 +/- 0.21  91.007% * 98.1938% (0.98   5.74  60.12) =  99.986%  kept
          HB    THR   39 - HN    ILE  119  18.27 +/- 3.66   0.876% *  0.2669% (0.76   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ILE  119  22.29 +/- 4.57   0.619% *  0.2536% (0.73   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    ILE  119  21.43 +/- 3.52   0.434% *  0.3132% (0.90   0.02   0.02) =   0.002%
          QB    SER   13 - HN    CYS   21  14.45 +/- 2.67   1.530% *  0.0801% (0.23   0.02   0.02) =   0.001%
          HB    THR   39 - HN    CYS   21  14.63 +/- 2.97   1.409% *  0.0843% (0.24   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    ILE  119  21.63 +/- 2.20   0.367% *  0.3132% (0.90   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    CYS   21  15.68 +/- 2.23   1.061% *  0.0990% (0.28   0.02   0.02) =   0.001%
          HB    THR  118 - HN    CYS   21  17.87 +/- 3.02   0.698% *  0.1082% (0.31   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  19.95 +/- 6.16   0.709% *  0.0990% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  19.24 +/- 8.56   1.120% *  0.0454% (0.13   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  28.01 +/- 3.35   0.170% *  0.1436% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 7.95, residual support = 267.3:
          HG12  ILE  119 - HN    ILE  119   2.73 +/- 0.44  77.190% * 93.9182% (0.90   7.96 267.92) =  99.781%  kept
          HB3   PHE   72 - HN    CYS   21   9.89 +/- 2.90   3.535% *  4.0142% (0.30   1.00   0.02) =   0.195%  kept
          HB2   ASP-  44 - HN    ILE  119  11.85 +/- 1.13   1.224% *  0.2359% (0.90   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    ILE  119  14.65 +/- 3.66   1.079% *  0.2538% (0.97   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    ILE  119  19.87 +/- 4.30   0.688% *  0.2428% (0.92   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ILE  119  11.08 +/- 4.54   4.096% *  0.0356% (0.14   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    CYS   21  11.81 +/- 2.79   1.892% *  0.0767% (0.29   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    CYS   21  11.41 +/- 3.68   1.904% *  0.0745% (0.28   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    CYS   21  10.39 +/- 2.18   2.374% *  0.0437% (0.17   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  18.87 +/- 2.92   0.338% *  0.2106% (0.80   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  13.14 +/- 1.73   0.970% *  0.0665% (0.25   0.02   0.02) =   0.001%
          QB    MET   11 - HN    CYS   21  17.10 +/- 4.00   2.241% *  0.0283% (0.11   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  21.96 +/- 1.32   0.181% *  0.2607% (0.99   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ILE  119  24.57 +/- 4.93   0.312% *  0.1384% (0.53   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  17.25 +/- 1.81   0.377% *  0.1081% (0.41   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    CYS   21  17.48 +/- 3.14   0.534% *  0.0745% (0.28   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   21  19.21 +/- 4.52   0.349% *  0.0824% (0.31   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  26.09 +/- 4.65   0.158% *  0.0897% (0.34   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  20.83 +/- 2.82   0.215% *  0.0342% (0.13   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.59 +/- 3.13   0.342% *  0.0112% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 8.17, residual support = 267.9:
      O   HB    ILE  119 - HN    ILE  119   2.27 +/- 0.24  76.122% * 99.0354% (0.92  10.0   8.17 267.92) =  99.990%  kept
          HG3   GLN   30 - HN    CYS   21   7.27 +/- 2.19   6.591% *  0.0336% (0.31   1.0   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    CYS   21  20.08 +/- 5.80   6.839% *  0.0219% (0.20   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    CYS   21   8.14 +/- 1.88   2.931% *  0.0313% (0.29   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ILE  119  20.27 +/- 4.42   0.396% *  0.1063% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ILE  119  15.75 +/- 3.21   0.522% *  0.0779% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE  119  11.23 +/- 1.32   0.728% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  19.48 +/- 3.64   0.273% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  14.29 +/- 2.48   0.341% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.05 +/- 1.27   0.579% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.16 +/- 1.58   0.251% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  18.94 +/- 3.91   0.371% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  22.18 +/- 3.63   0.094% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.76 +/- 0.79   0.760% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.44 +/- 1.42   1.236% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.92 +/- 3.40   0.218% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.59 +/- 3.60   0.212% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.50 +/- 3.47   0.254% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.23 +/- 1.27   0.433% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.10 +/- 2.61   0.144% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  16.49 +/- 3.16   0.320% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  26.41 +/- 5.59   0.170% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  20.98 +/- 1.55   0.120% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.00 +/- 2.78   0.097% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.916, support = 7.69, residual support = 243.8:
          HG13  ILE  119 - HN    ILE  119   3.40 +/- 0.79  36.738% * 85.7532% (0.99   8.14 267.92) =  90.530%  kept
          QB    ALA   20 - HN    CYS   21   3.49 +/- 0.21  33.653% *  7.9334% (0.19   3.89  16.64) =   7.672%  kept
          QG1   VAL  107 - HN    ILE  119   6.91 +/- 3.03  14.730% *  3.6423% (0.20   1.73   0.02) =   1.542%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.33 +/- 0.69   4.367% *  1.8603% (0.25   0.70   7.26) =   0.233%  kept
          HD3   LYS+ 112 - HN    ILE  119  10.56 +/- 2.16   1.727% *  0.1290% (0.61   0.02   0.02) =   0.006%
          QG1   VAL   24 - HN    ILE  119  20.15 +/- 4.76   1.963% *  0.1035% (0.49   0.02   0.02) =   0.006%
          QG1   VAL   24 - HN    CYS   21   8.38 +/- 1.01   3.452% *  0.0327% (0.15   0.02   0.02) =   0.003%
          QB    ALA   20 - HN    ILE  119  16.34 +/- 3.34   0.627% *  0.1290% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    ILE  119  20.63 +/- 4.00   0.317% *  0.2122% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    CYS   21  12.52 +/- 1.55   0.943% *  0.0670% (0.32   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    CYS   21  17.13 +/- 3.44   0.549% *  0.0666% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  21.33 +/- 5.04   0.234% *  0.0408% (0.19   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.38 +/- 1.90   0.443% *  0.0133% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  21.02 +/- 3.47   0.258% *  0.0168% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.653, support = 0.02, residual support = 0.974:
          QD2   LEU   40 - HN    ILE  119  11.04 +/- 3.31  11.022% * 15.5616% (0.95   0.02   0.02) =  24.924%  kept
          QD1   LEU   67 - HN    ILE  119  11.55 +/- 3.02   7.868% * 15.1858% (0.92   0.02   0.02) =  17.362%  kept
          QG2   ILE  103 - HN    ILE  119  13.29 +/- 3.50   5.685% * 13.7407% (0.84   0.02   0.02) =  11.352%  kept
          HG3   LYS+  74 - HN    CYS   21   8.75 +/- 5.15  18.439% *  3.7747% (0.23   0.02   7.80) =  10.114%  kept
          HB    VAL   75 - HN    CYS   21   9.99 +/- 5.58  13.021% *  3.9726% (0.24   0.02   2.24) =   7.517%  kept
          QD1   LEU   67 - HN    CYS   21  10.78 +/- 3.89   7.944% *  4.7985% (0.29   0.02   0.02) =   5.539%  kept
          HG3   LYS+  74 - HN    ILE  119  16.09 +/- 3.34   3.114% * 11.9456% (0.73   0.02   0.02) =   5.406%  kept
          HB    VAL   75 - HN    ILE  119  15.85 +/- 1.95   2.606% * 12.5720% (0.76   0.02   0.02) =   4.761%  kept
          QD2   LEU   71 - HN    ILE  119  13.54 +/- 4.28   7.064% *  4.1020% (0.25   0.02   0.02) =   4.210%  kept
          QD2   LEU   40 - HN    CYS   21  13.01 +/- 2.04   3.952% *  4.9173% (0.30   0.02   0.02) =   2.824%  kept
          QG2   ILE  103 - HN    CYS   21  16.00 +/- 1.81   3.554% *  4.3419% (0.26   0.02   0.02) =   2.242%  kept
          QD1   ILE  103 - HN    ILE  119  14.62 +/- 3.10   4.119% *  2.8810% (0.18   0.02   0.02) =   1.724%  kept
          QD2   LEU   71 - HN    CYS   21  10.44 +/- 2.81   8.707% *  1.2962% (0.08   0.02   0.02) =   1.640%  kept
          QD1   ILE  103 - HN    CYS   21  15.05 +/- 1.91   2.906% *  0.9104% (0.06   0.02   0.02) =   0.384%  kept
    Distance limit 3.58 A violated in 16 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.97, residual support = 60.1:
          QG2   THR  118 - HN    ILE  119   3.48 +/- 0.40  98.054% * 99.9094% (0.57   6.97  60.12) =  99.998%  kept
          QG2   THR  118 - HN    CYS   21  14.36 +/- 2.39   1.946% *  0.0906% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.35 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 = 0.789, support = 3.7, residual support = 44.0:
          QB    ALA  120 - HN    ILE  119   4.21 +/- 0.15  29.968% * 59.9532% (0.80   4.38  53.45) =  78.408%  kept
          HB3   LEU  115 - HN    ILE  119   5.76 +/- 0.77  13.007% * 17.7016% (0.95   1.10   9.71) =  10.048%  kept
          HG    LEU  115 - HN    ILE  119   6.25 +/- 1.00  10.986% * 15.7022% (0.80   1.15   9.71) =   7.528%  kept
          HG    LEU   73 - HN    CYS   21   6.72 +/- 4.26  19.190% *  4.5857% (0.15   1.75   9.56) =   3.840%  kept
          HG    LEU   40 - HN    ILE  119  12.78 +/- 3.64   4.147% *  0.3232% (0.95   0.02   0.02) =   0.059%
          HG    LEU   67 - HN    ILE  119  13.74 +/- 3.63   1.845% *  0.3387% (0.99   0.02   0.02) =   0.027%
          QB    ALA  120 - HN    CYS   21  18.03 +/- 4.23   4.521% *  0.0865% (0.25   0.02   0.02) =   0.017%
          HB3   LEU   40 - HN    ILE  119  14.00 +/- 3.58   1.793% *  0.1935% (0.57   0.02   0.02) =   0.015%
          QG    LYS+  66 - HN    ILE  119  11.43 +/- 3.27   3.039% *  0.1055% (0.31   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    ILE  119  17.52 +/- 3.99   1.774% *  0.1663% (0.49   0.02   0.02) =   0.013%
          HG    LEU   67 - HN    CYS   21  14.36 +/- 4.28   1.418% *  0.1070% (0.31   0.02   0.02) =   0.007%
          HG    LEU   40 - HN    CYS   21  14.91 +/- 2.46   1.022% *  0.1021% (0.30   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE  119  13.34 +/- 3.33   1.560% *  0.0598% (0.18   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  21.78 +/- 4.17   0.329% *  0.2073% (0.61   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    CYS   21  16.90 +/- 2.72   0.615% *  0.1021% (0.30   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    CYS   21  21.18 +/- 3.39   0.832% *  0.0655% (0.19   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    CYS   21  15.00 +/- 2.35   0.890% *  0.0611% (0.18   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    CYS   21  17.67 +/- 3.07   0.573% *  0.0865% (0.25   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    CYS   21  14.85 +/- 3.39   1.322% *  0.0333% (0.10   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    CYS   21  13.81 +/- 3.70   1.169% *  0.0189% (0.06   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.995, support = 1.55, residual support = 2.22:
          QG2   VAL   75 - HN    CYS   21   8.28 +/- 5.24  46.595% * 98.0316% (1.00   1.56   2.24) =  99.303%  kept
          QG2   VAL   42 - HN    CYS   21  10.99 +/- 2.12  14.409% *  1.1935% (0.95   0.02   0.02) =   0.374%  kept
          QG2   VAL   42 - HN    ILE  119   8.83 +/- 2.03  31.417% *  0.3771% (0.30   0.02   0.02) =   0.258%  kept
          QG2   VAL   75 - HN    ILE  119  14.54 +/- 1.84   7.579% *  0.3978% (0.32   0.02   0.02) =   0.066%
    Distance limit 4.48 A violated in 14 structures by 1.89 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   2.19 +/- 0.14  98.423% * 99.6430% (0.84  10.0   3.73  15.21) =  99.999%  kept
          HG2   LYS+ 121 - HN    ALA   20  21.01 +/- 3.99   0.262% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    ALA   20  16.94 +/- 1.57   0.240% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.33 +/- 1.30   0.501% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  17.45 +/- 3.65   0.411% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.32 +/- 1.91   0.162% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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   2.81 +/- 0.71  98.696% * 99.7526% (0.99   3.65  25.54) =  99.997%  kept
          QD1   LEU   98 - HN    ALA   20  14.65 +/- 2.11   1.304% *  0.2474% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.80 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 = 5.91, residual support = 170.5:
      O   HB    ILE   19 - HN    ILE   19   2.68 +/- 0.52  80.011% * 94.6027% (0.97  10.0   5.94 171.51) =  99.413%  kept
          HB2   GLN   17 - HN    ILE   19   6.30 +/- 0.48   8.975% *  4.9020% (0.73   1.0   1.38   0.02) =   0.578%  kept
          HB3   GLU-  25 - HN    ILE   19  13.89 +/- 2.35   3.316% *  0.0879% (0.90   1.0   0.02   0.02) =   0.004%
          QB    GLU-  15 - HN    ILE   19   8.70 +/- 0.82   2.733% *  0.0712% (0.73   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    ILE   19  13.18 +/- 3.13   1.162% *  0.0905% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ILE   19  13.10 +/- 4.13   1.364% *  0.0334% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    ILE   19  18.23 +/- 3.30   1.464% *  0.0273% (0.28   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  18.53 +/- 2.73   0.372% *  0.0972% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  17.34 +/- 2.65   0.439% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  23.23 +/- 2.85   0.164% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.729, support = 5.9, residual support = 156.5:
          HG12  ILE   19 - HN    ILE   19   2.73 +/- 0.69  60.120% * 66.3311% (0.73   6.26 171.51) =  91.001%  kept
          HG    LEU   73 - HN    ILE   19   7.78 +/- 4.78  13.200% * 28.0010% (0.80   2.39   4.64) =   8.434%  kept
          HB3   LYS+  74 - HN    ILE   19   8.56 +/- 5.34   5.426% *  3.7462% (0.18   1.47   7.80) =   0.464%  kept
          QB    ALA   61 - HN    ILE   19  10.23 +/- 3.45   8.480% *  0.2818% (0.97   0.02   0.02) =   0.055%
          HB3   LEU   67 - HN    ILE   19  10.20 +/- 4.98   2.918% *  0.2920% (1.00   0.02   0.02) =   0.019%
          QG    LYS+  66 - HN    ILE   19  12.29 +/- 3.43   1.461% *  0.2762% (0.95   0.02   0.02) =   0.009%
          HG    LEU   67 - HN    ILE   19  10.82 +/- 5.47   4.431% *  0.0650% (0.22   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    ILE   19  18.90 +/- 8.26   0.644% *  0.2439% (0.84   0.02   0.02) =   0.004%
          HG    LEU   40 - HN    ILE   19  11.75 +/- 3.04   1.580% *  0.0901% (0.31   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    ILE   19  19.65 +/- 2.55   0.214% *  0.2338% (0.80   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE   19  18.62 +/- 7.36   0.513% *  0.0901% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE   19  20.71 +/- 2.96   0.197% *  0.2006% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ILE   19  16.35 +/- 2.54   0.416% *  0.0901% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  18.37 +/- 4.05   0.399% *  0.0578% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 168.4:
          HG13  ILE   19 - HN    ILE   19   2.93 +/- 0.73  64.215% * 82.6091% (0.97   5.95 171.51) =  98.140%  kept
          HG    LEU   71 - HN    ILE   19   9.03 +/- 4.65   7.684% *  8.5477% (0.98   0.61   1.17) =   1.215%  kept
          HG2   LYS+  74 - HN    ILE   19  10.02 +/- 5.35   4.220% *  7.7346% (0.99   0.54   7.80) =   0.604%  kept
          QG2   THR   39 - HN    ILE   19   9.26 +/- 3.32   5.776% *  0.1977% (0.69   0.02   0.02) =   0.021%
          QB    ALA   34 - HN    ILE   19   8.66 +/- 1.81  14.687% *  0.0390% (0.14   0.02   0.02) =   0.011%
          HG3   LYS+  99 - HN    ILE   19  16.79 +/- 2.78   0.575% *  0.2872% (1.00   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    ILE   19  18.70 +/- 3.72   0.586% *  0.1977% (0.69   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ILE   19  15.75 +/- 3.19   1.113% *  0.0718% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   19  16.58 +/- 2.84   0.650% *  0.1183% (0.41   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  22.10 +/- 5.66   0.309% *  0.1080% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  23.78 +/- 2.86   0.185% *  0.0889% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.35, support = 4.7, residual support = 21.9:
          QG1   VAL   18 - HN    ILE   19   2.98 +/- 0.38  77.883% * 69.0884% (0.34   4.87  22.78) =  95.959%  kept
          QD1   LEU   71 - HN    ILE   19   8.18 +/- 4.04   8.750% * 14.1198% (0.69   0.49   1.17) =   2.203%  kept
          QG1   VAL   70 - HN    ILE   19   8.79 +/- 2.78   6.611% * 15.1625% (0.45   0.81   0.16) =   1.788%  kept
          QD1   LEU  123 - HN    ILE   19  14.93 +/- 3.16   2.424% *  0.5708% (0.69   0.02   0.02) =   0.025%
          QD2   LEU  123 - HN    ILE   19  16.10 +/- 4.00   3.738% *  0.2565% (0.31   0.02   0.02) =   0.017%
          HB3   LEU  104 - HN    ILE   19  18.26 +/- 2.93   0.594% *  0.8020% (0.97   0.02   0.02) =   0.009%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.788, support = 4.94, residual support = 80.2:
          QG2   VAL   18 - HN    ILE   19   3.52 +/- 0.78  33.934% * 57.4144% (0.97   4.82  22.78) =  58.163%  kept
          QD1   ILE   19 - HN    ILE   19   3.44 +/- 0.72  34.733% * 37.5925% (0.57   5.38 171.51) =  38.978%  kept
          QD2   LEU   73 - HN    ILE   19   5.92 +/- 4.09  22.824% *  4.1203% (0.22   1.50   4.64) =   2.807%  kept
          QG1   VAL   41 - HN    ILE   19   9.00 +/- 2.43   3.688% *  0.2213% (0.90   0.02   0.02) =   0.024%
          QG1   VAL   43 - HN    ILE   19  10.60 +/- 3.90   2.018% *  0.2446% (0.99   0.02   0.02) =   0.015%
          QG2   THR   46 - HN    ILE   19  12.96 +/- 3.63   1.291% *  0.2213% (0.90   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    ILE   19  10.93 +/- 1.73   0.960% *  0.0842% (0.34   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ILE   19  14.64 +/- 2.18   0.553% *  0.1014% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.718, support = 4.53, residual support = 23.7:
          HG12  ILE   19 - HN    ALA   20   4.86 +/- 0.53  37.133% * 82.8154% (0.73   4.86  25.54) =  92.294%  kept
          HG    LEU   73 - HN    ALA   20   8.09 +/- 3.67  17.204% * 10.3937% (0.80   0.55   0.02) =   5.367%  kept
          HB3   LYS+  74 - HN    ALA   20   8.02 +/- 4.54  18.585% *  3.6996% (0.18   0.90   5.95) =   2.064%  kept
          QB    ALA   61 - HN    ALA   20  10.95 +/- 3.33  10.658% *  0.4534% (0.97   0.02   0.02) =   0.145%  kept
          HB3   LEU   67 - HN    ALA   20  13.11 +/- 3.35   2.517% *  0.4698% (1.00   0.02   0.02) =   0.035%
          HG    LEU   80 - HN    ALA   20  17.52 +/- 7.82   2.141% *  0.3924% (0.84   0.02   0.02) =   0.025%
          QG    LYS+  66 - HN    ALA   20  14.21 +/- 2.86   1.872% *  0.4444% (0.95   0.02   0.02) =   0.025%
          HG    LEU   67 - HN    ALA   20  13.56 +/- 4.06   3.320% *  0.1046% (0.22   0.02   0.02) =   0.010%
          HG    LEU   40 - HN    ALA   20  14.77 +/- 2.79   1.817% *  0.1450% (0.31   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    ALA   20  17.38 +/- 6.92   1.801% *  0.1450% (0.31   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    ALA   20  22.35 +/- 3.36   0.687% *  0.3227% (0.69   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ALA   20  20.52 +/- 1.91   0.533% *  0.3762% (0.80   0.02   0.02) =   0.006%
          HB3   LEU  115 - HN    ALA   20  17.97 +/- 2.98   0.902% *  0.1450% (0.31   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ALA   20  20.86 +/- 4.55   0.830% *  0.0930% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.639, support = 2.1, residual support = 6.29:
          HG    LEU   73 - HN    CYS   21   6.72 +/- 4.26  16.245% * 36.0842% (0.80   1.75   9.56) =  45.614%  kept
          HG12  ILE   19 - HN    CYS   21   6.71 +/- 0.91  10.016% * 41.5777% (0.73   2.22   0.71) =  32.405%  kept
          HB3   LYS+  74 - HN    CYS   21   6.85 +/- 5.39  16.853% * 13.7789% (0.18   3.05   7.80) =  18.070%  kept
          HB3   LEU  115 - HN    ILE  119   5.76 +/- 0.77  11.748% *  2.7585% (0.10   1.10   9.71) =   2.522%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.26 +/- 1.12   6.993% *  1.1331% (0.06   0.70   7.26) =   0.617%  kept
          QB    ALA   61 - HN    CYS   21  10.64 +/- 3.92   9.511% *  0.4984% (0.97   0.02   0.02) =   0.369%  kept
          HG    LEU   80 - HN    CYS   21  15.21 +/- 9.27   2.770% *  0.4314% (0.84   0.02   0.02) =   0.093%
          HB3   LEU   67 - HN    CYS   21  13.81 +/- 3.70   0.960% *  0.5165% (1.00   0.02   0.02) =   0.039%
          QG    LYS+  66 - HN    CYS   21  14.85 +/- 3.39   0.948% *  0.4886% (0.95   0.02   0.02) =   0.036%
          QG    LYS+  66 - HN    ILE  119  11.43 +/- 3.27   2.728% *  0.1544% (0.30   0.02   0.02) =   0.033%
          HB2   LEU   80 - HN    CYS   21  14.91 +/- 8.43   2.446% *  0.1594% (0.31   0.02   0.02) =   0.030%
          QB    ALA   61 - HN    ILE  119  10.59 +/- 1.01   1.772% *  0.1575% (0.30   0.02   0.02) =   0.022%
          HG    LEU   73 - HN    ILE  119  17.52 +/- 3.99   2.046% *  0.1307% (0.25   0.02   0.02) =   0.021%
          HG2   LYS+ 102 - HN    CYS   21  21.18 +/- 3.39   0.741% *  0.3548% (0.69   0.02   0.02) =   0.020%
          HB3   LEU   67 - HN    ILE  119  13.34 +/- 3.33   1.529% *  0.1632% (0.32   0.02   0.02) =   0.019%
          HG    LEU   40 - HN    ILE  119  12.78 +/- 3.64   4.009% *  0.0504% (0.10   0.02   0.02) =   0.016%
          QB    ALA  110 - HN    ILE  119  11.19 +/- 1.39   1.525% *  0.1307% (0.25   0.02   0.02) =   0.016%
          HG    LEU   40 - HN    CYS   21  14.91 +/- 2.46   0.902% *  0.1594% (0.31   0.02   0.02) =   0.011%
          QB    ALA  110 - HN    CYS   21  19.06 +/- 2.05   0.320% *  0.4136% (0.80   0.02   0.02) =   0.010%
          HG    LEU   67 - HN    CYS   21  14.36 +/- 4.28   1.114% *  0.1150% (0.22   0.02   0.02) =   0.010%
          HB3   LEU  115 - HN    CYS   21  16.90 +/- 2.72   0.565% *  0.1594% (0.31   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ILE  119  17.74 +/- 2.94   0.625% *  0.1185% (0.23   0.02   0.02) =   0.006%
          HG    LEU   67 - HN    ILE  119  13.74 +/- 3.63   1.625% *  0.0363% (0.07   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    CYS   21  20.75 +/- 3.98   0.514% *  0.1022% (0.20   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  21.78 +/- 4.17   0.260% *  0.1121% (0.22   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE  119  24.35 +/- 4.54   0.191% *  0.1363% (0.26   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ILE  119  16.39 +/- 3.25   0.818% *  0.0286% (0.06   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE  119  23.62 +/- 3.69   0.228% *  0.0504% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.15, residual support = 85.0:
      O   QG    GLN   17 - HE21  GLN   17   2.40 +/- 0.45  86.343% * 99.5957% (0.48  10.0   3.15  84.98) =  99.992%  kept
          HG3   GLU-  29 - HE21  GLN   17  16.75 +/- 4.94  10.583% *  0.0403% (0.20   1.0   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HE21  GLN   17  17.50 +/- 4.76   1.654% *  0.1161% (0.57   1.0   0.02   0.02) =   0.002%
          HB    VAL   70 - HE21  GLN   17  12.92 +/- 3.76   0.883% *  0.0879% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  20.11 +/- 3.48   0.222% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  20.28 +/- 3.09   0.241% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  29.08 +/- 5.08   0.074% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 5.54, residual support = 50.3:
        T HN    VAL   18 - HN    GLN   17   4.45 +/- 0.04  89.896% * 99.9055% (0.73 10.00   5.54  50.30) =  99.989%  kept
          HN    SER   13 - HN    GLN   17   9.84 +/- 1.12  10.104% *  0.0945% (0.69  1.00   0.02   0.02) =   0.011%
    Distance limit 4.31 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.54, residual support = 50.3:
        T HN    GLN   17 - HN    VAL   18   4.45 +/- 0.04  92.219% * 99.7850% (0.89 10.00   5.54  50.30) =  99.991%  kept
          HD21  ASN   69 - HN    VAL   18  13.41 +/- 4.72   7.110% *  0.1079% (0.96  1.00   0.02   0.02) =   0.008%
          HN    TRP   87 - HN    VAL   18  25.21 +/- 6.07   0.671% *  0.1071% (0.96  1.00   0.02   0.02) =   0.001%
    Distance limit 4.48 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 = 0.413, support = 3.23, residual support = 7.77:
        T HN    LYS+  74 - HN    ILE   19   7.51 +/- 5.96  59.417% * 96.3103% (0.41 10.00   3.24   7.80) =  99.563%  kept
          HN    THR   46 - HN    ILE   19  15.71 +/- 4.61   6.839% *  3.3811% (0.84  1.00   0.35   0.02) =   0.402%  kept
          HN    MET   92 - HN    ILE   19  21.72 +/- 4.12   3.536% *  0.2261% (0.97  1.00   0.02   0.02) =   0.014%
          HN    MET   11 - HN    ILE   19  17.55 +/- 3.32  19.350% *  0.0361% (0.15  1.00   0.02   0.02) =   0.012%
          HN    ASP- 113 - HN    ILE   19  22.01 +/- 2.89  10.858% *  0.0464% (0.20  1.00   0.02   0.02) =   0.009%
    Distance limit 4.63 A violated in 7 structures by 2.93 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.854, support = 2.83, residual support = 2.8:
          HN    THR   26 - HN    VAL   24   4.38 +/- 0.22  71.507% * 94.0230% (0.87   2.88   2.77) =  98.016%  kept
          HN    LEU   80 - HN    VAL   24  13.16 +/- 7.20  24.188% *  5.5923% (0.20   0.75   4.40) =   1.972%  kept
          HN    CYS   53 - HN    VAL   24  20.94 +/- 4.72   2.138% *  0.2828% (0.38   0.02   0.02) =   0.009%
          HN    ALA   34 - HN    VAL   24  14.29 +/- 0.82   2.167% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.64 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 +/- 0.48  72.488% * 88.9417% (0.98   4.37  25.73) =  98.387%  kept
          HD2   HIS   22 - HN    VAL   24   8.22 +/- 1.23   9.612% *  6.1863% (0.22   1.34   0.02) =   0.907%  kept
          HE3   TRP   27 - HN    VAL   24   7.92 +/- 0.78  12.050% *  3.6878% (0.76   0.23  23.09) =   0.678%  kept
          QE    PHE   95 - HN    VAL   24  16.83 +/- 2.64   2.127% *  0.4112% (0.99   0.02   0.02) =   0.013%
          QD    PHE   55 - HN    VAL   24  21.76 +/- 5.07   1.382% *  0.3465% (0.84   0.02   0.02) =   0.007%
          HD1   TRP   49 - HN    VAL   24  19.69 +/- 4.34   1.647% *  0.1415% (0.34   0.02   0.02) =   0.004%
          HN    LEU   67 - HN    VAL   24  19.63 +/- 2.23   0.694% *  0.2850% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.56 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 = 0.02, residual support = 2.33:
          HE1   TRP   87 - HE1   TRP   27  13.78 +/- 8.18 100.000% *100.0000% (0.53   0.02   2.33) = 100.000%  kept
    Distance limit 4.09 A violated in 15 structures by 9.71 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.82, residual support = 21.3:
        T HN    ALA   34 - HN    ASN   35   2.76 +/- 0.04  85.407% * 97.1286% (0.98 10.00   4.83  21.39) =  99.682%  kept
          HN    GLN   32 - HN    ASN   35   5.11 +/- 0.31  14.032% *  1.8651% (0.53  1.00   0.72   3.60) =   0.314%  kept
        T HN    LEU   80 - HN    ASN   35  22.84 +/- 5.01   0.317% *  0.9147% (0.92 10.00   0.02   0.02) =   0.003%
          HN    CYS   53 - HN    ASN   35  28.68 +/- 2.68   0.085% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  26.72 +/- 6.15   0.160% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 4.47, residual support = 18.8:
        T HN    SER   37 - HN    GLU-  36   2.57 +/- 0.15  99.183% * 99.7690% (0.98 10.00   4.47  18.82) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.33 +/- 2.02   0.528% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  23.42 +/- 3.69   0.187% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  28.38 +/- 5.31   0.103% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.47, residual support = 30.8:
        T HN    LYS+  38 - HN    THR   39   2.75 +/- 0.14  96.777% * 99.8693% (1.00 10.00   5.47  30.82) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.79 +/- 1.02   2.326% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.36 +/- 3.25   0.782% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  27.39 +/- 2.73   0.115% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.3:
          HN    MET   96 - HN    VAL   43   3.03 +/- 0.63  93.532% * 98.1725% (0.76   4.00  16.27) =  99.871%  kept
          HN    PHE   72 - HN    VAL   43   8.58 +/- 1.58   6.468% *  1.8275% (0.22   0.26   0.02) =   0.129%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 2.9, residual support = 3.18:
          HN    LEU   73 - HN    ASP-  44   6.62 +/- 1.94  44.122% * 66.8852% (0.38   3.56   4.58) =  64.255%  kept
          HN    VAL   42 - HN    ASP-  44   5.96 +/- 0.53  50.965% * 32.1153% (0.38   1.71   0.67) =  35.638%  kept
          HN    LYS+ 106 - HN    ASP-  44  13.11 +/- 0.90   4.913% *  0.9995% (1.00   0.02   0.02) =   0.107%  kept
    Distance limit 4.28 A violated in 1 structures by 0.91 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.9, residual support = 35.8:
          HN    VAL   42 - HN    VAL   43   4.17 +/- 0.23  71.208% * 69.6723% (0.38   6.34  39.86) =  87.912%  kept
          HN    LEU   73 - HN    VAL   43   7.64 +/- 2.75  22.818% * 29.7438% (0.38   2.71   6.06) =  12.026%  kept
          HN    LYS+ 106 - HN    VAL   43   9.98 +/- 0.81   5.975% *  0.5839% (1.00   0.02   0.02) =   0.062%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.811, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   8.48 +/- 2.72  47.334% * 15.3753% (0.65   0.02   0.02) =  39.160%  kept
          HN    ALA   84 - HN    ASP-  44  13.62 +/- 2.15  17.969% * 23.7147% (1.00   0.02   0.02) =  22.929%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.62 +/- 1.97  12.408% * 23.7147% (1.00   0.02   0.02) =  15.833%  kept
          HN    ILE   56 - HN    ASP-  44  13.47 +/- 1.53  16.011% * 18.1638% (0.76   0.02   0.02) =  15.649%  kept
          HE21  GLN   32 - HN    ASP-  44  20.16 +/- 2.31   6.279% * 19.0315% (0.80   0.02   0.02) =   6.430%  kept
    Distance limit 4.27 A violated in 18 structures by 3.70 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.597, support = 0.553, residual support = 1.45:
          QD    PHE   60 - HN    ASP-  44   6.39 +/- 1.70  47.621% * 35.9356% (0.41   0.75   2.39) =  60.232%  kept
          HN    LYS+  66 - HN    ASP-  44  10.14 +/- 2.76  20.211% * 32.4776% (0.90   0.31   0.02) =  23.104%  kept
          QE    PHE   59 - HN    ASP-  44   9.09 +/- 1.77  19.764% * 19.3560% (0.92   0.18   0.02) =  13.465%  kept
          HN    PHE   59 - HN    ASP-  44  11.56 +/- 1.65   7.508% * 11.8712% (0.57   0.18   0.02) =   3.137%  kept
          HN    LYS+  81 - HN    ASP-  44  14.78 +/- 2.16   4.896% *  0.3597% (0.15   0.02   0.02) =   0.062%
    Distance limit 4.57 A violated in 8 structures by 1.12 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.714, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  13.85 +/- 2.10  44.791% * 36.0114% (0.77   0.02   0.02) =  48.945%  kept
          HN    GLN   17 - HN    ASP-  62  14.65 +/- 2.57  42.381% * 29.1578% (0.63   0.02   0.02) =  37.498%  kept
          HN    TRP   87 - HN    ASP-  62  21.59 +/- 2.22  12.828% * 34.8308% (0.75   0.02   0.02) =  13.558%  kept
    Distance limit 3.46 A violated in 20 structures by 8.48 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   2.69 +/- 0.15  96.434% * 72.8920% (0.32 10.00   5.85  42.32) =  99.129%  kept
        T HN    ILE   56 - HN    ASP-  62   9.71 +/- 0.81   2.315% * 26.5806% (0.42 10.00   0.56   0.02) =   0.868%  kept
          HN    LYS+ 111 - HN    ASP-  62  15.35 +/- 2.54   0.721% *  0.1685% (0.75  1.00   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    ASP-  62  25.28 +/- 4.37   0.275% *  0.1904% (0.84  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  20.42 +/- 2.09   0.256% *  0.1685% (0.75  1.00   0.02   0.02) =   0.001%
    Distance limit 3.29 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 = 0.935, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73  10.25 +/- 2.02  85.137% * 48.0011% (0.92   0.02   0.02) =  84.096%  kept
          HN    ALA  110 - HN    LEU   73  19.25 +/- 3.81  14.863% * 51.9989% (1.00   0.02   0.02) =  15.904%  kept
    Distance limit 4.04 A violated in 20 structures by 6.16 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.483, support = 3.69, residual support = 16.4:
          HN    VAL   75 - HN    ASP-  76   4.37 +/- 0.13  62.063% * 40.5850% (0.28   4.64  26.36) =  54.180%  kept
          HN    ASP-  78 - HN    ASP-  76   5.29 +/- 0.35  36.123% * 58.9576% (0.73   2.58   4.73) =  45.810%  kept
          HN    LYS+ 112 - HN    ASP-  76  19.25 +/- 3.04   1.385% *  0.2823% (0.45   0.02   0.02) =   0.008%
          HN    MET   11 - HN    ASP-  76  25.34 +/- 4.04   0.429% *  0.1751% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.64 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 = 28.5:
        T HN    LYS+ 111 - HN    LYS+ 112   4.35 +/- 0.18  81.906% * 97.6939% (0.87 10.00   5.33  28.58) =  99.634%  kept
          HN    ILE   56 - HN    LYS+ 112   9.15 +/- 3.07  14.193% *  2.0558% (0.49  1.00   0.75   7.57) =   0.363%  kept
          HN    LEU   63 - HN    LYS+ 112  14.34 +/- 1.73   2.775% *  0.0423% (0.38  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    LYS+ 112  21.80 +/- 3.12   0.868% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  31.69 +/- 4.11   0.259% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.285, support = 2.26, residual support = 2.19:
          QD    PHE   55 - HN    GLN  116   8.20 +/- 3.21  43.496% * 93.7725% (0.28   2.31   2.24) =  97.898%  kept
          QD    PHE   60 - HN    GLN  116   9.23 +/- 2.10  31.163% *  1.8897% (0.65   0.02   0.02) =   1.413%  kept
          HN    LYS+  81 - HN    GLN  116  24.68 +/- 3.39   5.005% *  2.7633% (0.95   0.02   0.02) =   0.332%  kept
          HN    LYS+  66 - HN    GLN  116  14.25 +/- 1.94  12.930% *  0.5781% (0.20   0.02   0.02) =   0.179%  kept
          HE3   TRP   27 - HN    GLN  116  19.35 +/- 3.65   7.407% *  0.9964% (0.34   0.02   0.02) =   0.177%  kept
    Distance limit 4.35 A violated in 13 structures by 2.23 A, kept.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.786, support = 6.07, residual support = 47.5:
      O   HA    ILE  119 - HN    ALA  120   3.60 +/- 0.03  58.228% * 83.6014% (0.80  10.0   6.25  53.45) =  88.725%  kept
          HA    THR  118 - HN    ALA  120   4.19 +/- 0.40  38.263% * 16.1647% (0.67   1.0   4.62   0.53) =  11.273%  kept
          HD3   PRO   58 - HN    ALA  120  11.88 +/- 1.43   1.874% *  0.0191% (0.18   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  16.02 +/- 1.52   0.721% *  0.0396% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  24.04 +/- 2.64   0.236% *  0.0772% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  19.76 +/- 2.11   0.454% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  25.05 +/- 2.66   0.224% *  0.0585% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.992, residual support = 5.3:
          HA    SER  117 - HN    ALA  120   3.67 +/- 0.27  90.062% * 96.3520% (0.92   0.99   5.31) =  99.867%  kept
          HB    THR   26 - HN    ALA  120  24.10 +/- 5.99   4.672% *  1.4856% (0.71   0.02   0.02) =   0.080%
          HA    ASP-  62 - HN    ALA  120  12.38 +/- 1.69   2.914% *  1.0228% (0.49   0.02   0.02) =   0.034%
          HA    ALA   57 - HN    ALA  120  13.64 +/- 0.81   1.863% *  0.7992% (0.38   0.02   0.02) =   0.017%
          HA1   GLY   51 - HN    ALA  120  21.75 +/- 2.23   0.489% *  0.3404% (0.16   0.02   0.02) =   0.002%
    Distance limit 4.07 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 = 4.14, residual support = 120.5:
      O   HG3   GLN  116 - HE21  GLN  116   3.24 +/- 0.57  98.718% * 99.8198% (0.69  10.0   4.14 120.50) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  23.99 +/- 2.87   0.395% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  18.67 +/- 2.02   0.684% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  28.61 +/- 4.29   0.203% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.636, support = 3.38, residual support = 84.5:
          HB3   LEU  115 - HE21  GLN  116   8.02 +/- 1.05  11.373% * 60.9571% (0.95   3.62 102.00) =  42.294%  kept
          HG    LEU  115 - HE21  GLN  116   7.20 +/- 1.63  21.583% * 30.8013% (0.41   4.21 102.00) =  40.557%  kept
          QB    ALA  120 - HE21  GLN  116   5.11 +/- 1.45  44.691% *  6.1979% (0.41   0.85   0.23) =  16.899%  kept
          QG    LYS+  66 - HE21  GLN  116  13.29 +/- 3.67   4.533% *  0.2447% (0.69   0.02   0.02) =   0.068%
          QB    ALA   61 - HE21  GLN  116  11.58 +/- 2.22   5.707% *  0.1215% (0.34   0.02   0.02) =   0.042%
          HG    LEU   40 - HE21  GLN  116  16.62 +/- 3.24   2.056% *  0.3370% (0.95   0.02   0.02) =   0.042%
          HG    LEU   67 - HE21  GLN  116  16.75 +/- 3.75   1.721% *  0.3090% (0.87   0.02   0.02) =   0.032%
          HG    LEU   73 - HE21  GLN  116  20.33 +/- 4.31   1.009% *  0.3090% (0.87   0.02   0.02) =   0.019%
          HB3   LEU   67 - HE21  GLN  116  16.33 +/- 3.62   1.675% *  0.1734% (0.49   0.02   0.02) =   0.018%
          QB    ALA  110 - HE21  GLN  116  11.63 +/- 1.53   3.618% *  0.0624% (0.18   0.02   0.02) =   0.014%
          HG2   LYS+ 102 - HE21  GLN  116  25.72 +/- 3.35   0.344% *  0.3370% (0.95   0.02   0.02) =   0.007%
          HB3   LEU   40 - HE21  GLN  116  17.85 +/- 3.33   1.268% *  0.0793% (0.22   0.02   0.02) =   0.006%
          HG    LEU   80 - HE21  GLN  116  26.77 +/- 5.04   0.421% *  0.0705% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.485, support = 1.54, residual support = 0.84:
          QB    GLU- 114 - HN    SER  117   4.99 +/- 0.32  39.678% * 63.5236% (0.61   1.43   0.95) =  69.574%  kept
          HB    ILE  119 - HN    SER  117   4.97 +/- 0.51  40.269% * 26.7622% (0.20   1.84   0.61) =  29.748%  kept
          HB2   LYS+ 111 - HN    SER  117   8.14 +/- 1.22  10.996% *  1.4638% (1.00   0.02   0.02) =   0.444%  kept
          HB3   GLU-  25 - HN    SER  117  27.70 +/- 6.11   1.124% *  1.3542% (0.92   0.02   0.02) =   0.042%
          HB3   PRO   68 - HN    SER  117  18.79 +/- 3.28   1.219% *  1.2254% (0.84   0.02   0.02) =   0.041%
          HG2   PRO   68 - HN    SER  117  17.50 +/- 3.89   2.046% *  0.6577% (0.45   0.02   0.02) =   0.037%
          HB2   GLN   17 - HN    SER  117  21.12 +/- 3.94   0.853% *  1.4638% (1.00   0.02   0.02) =   0.034%
          QB    GLU-  15 - HN    SER  117  21.36 +/- 3.73   0.827% *  1.4638% (1.00   0.02   0.02) =   0.033%
          HB    ILE   19 - HN    SER  117  20.10 +/- 3.46   0.924% *  0.7718% (0.53   0.02   0.02) =   0.020%
          HG3   GLN   30 - HN    SER  117  22.37 +/- 4.63   0.878% *  0.6577% (0.45   0.02   0.02) =   0.016%
          HB2   GLN   30 - HN    SER  117  21.54 +/- 3.87   0.804% *  0.2903% (0.20   0.02   0.02) =   0.006%
          HB3   GLU- 100 - HN    SER  117  23.84 +/- 2.61   0.383% *  0.3658% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.868, support = 2.48, residual support = 2.85:
          HG    LEU  115 - HN    SER  117   5.66 +/- 0.88  28.314% * 41.3684% (0.84   2.96   2.28) =  43.011%  kept
          HB3   LEU  115 - HN    SER  117   5.63 +/- 0.37  25.831% * 39.9479% (0.92   2.58   2.28) =  37.892%  kept
          QB    ALA  120 - HN    SER  117   5.37 +/- 0.53  29.767% * 17.3575% (0.84   1.24   5.31) =  18.973%  kept
          HG    LEU   40 - HN    SER  117  15.27 +/- 3.92   5.015% *  0.3094% (0.92   0.02   0.02) =   0.057%
          HG    LEU   67 - HN    SER  117  16.44 +/- 3.76   1.953% *  0.3286% (0.98   0.02   0.02) =   0.024%
          HB3   LEU   40 - HN    SER  117  16.53 +/- 3.86   2.402% *  0.2033% (0.61   0.02   0.02) =   0.018%
          QG    LYS+  66 - HN    SER  117  14.02 +/- 3.28   2.724% *  0.0932% (0.28   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    SER  117  19.22 +/- 4.40   1.621% *  0.1503% (0.45   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    SER  117  16.04 +/- 3.52   1.904% *  0.0517% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    SER  117  22.70 +/- 3.13   0.469% *  0.1898% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.986, support = 3.01, residual support = 16.1:
          HB2   PHE   97 - HN    LEU  104   3.30 +/- 0.47  73.005% * 78.8439% (1.00   3.11  16.71) =  95.836%  kept
          QE    LYS+ 106 - HN    LEU  104   6.49 +/- 0.96  13.402% * 16.0018% (0.76   0.82   0.02) =   3.571%  kept
          QE    LYS+  99 - HN    LEU  104   7.53 +/- 0.93   7.823% *  4.2746% (0.38   0.45  18.67) =   0.557%  kept
          HB3   TRP   27 - HN    LEU  104  16.12 +/- 3.63   3.696% *  0.5033% (0.99   0.02   0.02) =   0.031%
          HB3   PHE   60 - HN    LEU  104  16.95 +/- 2.42   0.690% *  0.2875% (0.57   0.02   0.02) =   0.003%
          QE    LYS+  38 - HN    LEU  104  14.31 +/- 2.22   1.384% *  0.0889% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.69 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 = 0.942, support = 5.44, residual support = 36.2:
          HG12  ILE  103 - HN    LEU  104   3.71 +/- 0.44  64.109% * 83.2022% (0.97   5.61  38.03) =  95.259%  kept
          QB    LYS+ 102 - HN    LEU  104   5.95 +/- 0.36  17.063% * 15.2863% (0.49   2.04   0.22) =   4.658%  kept
          HB    VAL   41 - HN    LEU  104   8.85 +/- 1.79  10.738% *  0.3074% (1.00   0.02   0.02) =   0.059%
          QB    LYS+  66 - HN    LEU  104  15.72 +/- 4.22   1.482% *  0.2908% (0.95   0.02   0.02) =   0.008%
          HB2   LEU   71 - HN    LEU  104  14.83 +/- 3.94   3.413% *  0.1049% (0.34   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    LEU  104  18.63 +/- 5.12   0.909% *  0.2349% (0.76   0.02   0.02) =   0.004%
          QB    LYS+  65 - HN    LEU  104  16.61 +/- 3.32   1.388% *  0.1154% (0.38   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LEU  104  17.94 +/- 0.83   0.616% *  0.2232% (0.73   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU  104  23.77 +/- 2.04   0.282% *  0.2349% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.607, support = 1.79, residual support = 30.9:
          QB    LEU   98 - HN    ILE  103   3.77 +/- 0.72  74.798% * 88.9992% (0.61   1.80  31.09) =  99.498%  kept
          HD3   LYS+ 121 - HN    ILE  103  17.60 +/- 7.37  16.962% *  1.4628% (0.90   0.02   0.02) =   0.371%  kept
          HB2   LEU   80 - HN    ILE  103  19.86 +/- 5.88   1.148% *  1.5988% (0.98   0.02   0.02) =   0.027%
          HG    LEU   80 - HN    ILE  103  20.21 +/- 6.74   1.447% *  1.2465% (0.76   0.02   0.02) =   0.027%
          QB    ALA  110 - HN    ILE  103  16.78 +/- 1.62   0.898% *  1.3060% (0.80   0.02   0.02) =   0.018%
          HB3   LYS+  74 - HN    ILE  103  18.93 +/- 1.74   0.670% *  1.4148% (0.87   0.02   0.02) =   0.014%
          HG12  ILE   19 - HN    ILE  103  18.68 +/- 2.67   0.666% *  1.4148% (0.87   0.02   0.02) =   0.014%
          HB3   LEU   67 - HN    ILE  103  17.28 +/- 3.55   1.084% *  0.6705% (0.41   0.02   0.02) =   0.011%
          QB    ALA   61 - HN    ILE  103  18.09 +/- 1.61   0.712% *  0.9234% (0.57   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    ILE  103  18.99 +/- 4.47   1.227% *  0.4067% (0.25   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    ILE  103  23.16 +/- 3.62   0.388% *  0.5564% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.773, support = 5.24, residual support = 35.7:
          QD2   LEU  104 - HN    ILE  103   5.00 +/- 1.03  27.956% * 79.5843% (1.00   5.61  38.03) =  67.150%  kept
          QD1   LEU   98 - HN    ILE  103   3.38 +/- 1.00  55.358% * 19.6336% (0.31   4.49  31.09) =  32.804%  kept
          QG1   VAL   43 - HN    ILE  103   8.48 +/- 1.58   6.084% *  0.0968% (0.34   0.02   0.02) =   0.018%
          QG1   VAL   41 - HN    ILE  103   8.56 +/- 2.53   8.566% *  0.0561% (0.20   0.02   0.02) =   0.015%
          QD1   ILE   19 - HN    ILE  103  15.85 +/- 2.11   0.847% *  0.2737% (0.97   0.02   0.02) =   0.007%
          QG2   THR   46 - HN    ILE  103  16.95 +/- 1.44   0.551% *  0.1948% (0.69   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    ILE  103  17.67 +/- 2.17   0.639% *  0.1606% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.60 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 = 6.86, residual support = 215.7:
          QD1   LEU  104 - HN    LEU  104   4.08 +/- 0.44  64.180% * 97.1212% (0.41   6.87 216.16) =  99.804%  kept
          QD1   LEU   63 - HN    LEU  104  11.54 +/- 2.87   4.868% *  0.6634% (0.97   0.02   0.02) =   0.052%
          QD2   LEU   63 - HN    LEU  104  11.58 +/- 2.99   5.383% *  0.4991% (0.73   0.02   0.02) =   0.043%
          QG2   VAL   41 - HN    LEU  104   7.76 +/- 1.84  18.530% *  0.1360% (0.20   0.02   0.02) =   0.040%
          QD1   LEU   73 - HN    LEU  104  12.89 +/- 2.54   2.665% *  0.6634% (0.97   0.02   0.02) =   0.028%
          QD2   LEU  115 - HN    LEU  104  13.17 +/- 1.80   2.350% *  0.4722% (0.69   0.02   0.02) =   0.018%
          QD2   LEU   80 - HN    LEU  104  17.36 +/- 4.75   2.024% *  0.4447% (0.65   0.02   0.02) =   0.014%
    Distance limit 4.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.625, support = 4.68, residual support = 18.7:
          QD1   LEU   98 - HN    ASP- 105   5.69 +/- 1.10  32.505% * 73.6541% (0.95   3.40   6.08) =  58.429%  kept
          QD2   LEU  104 - HN    ASP- 105   4.12 +/- 0.46  65.277% * 26.0862% (0.18   6.50  36.45) =  41.557%  kept
          QG2   ILE   19 - HN    ASP- 105  15.61 +/- 2.27   2.219% *  0.2596% (0.57   0.02   0.02) =   0.014%
    Distance limit 4.72 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 = 0.896, support = 4.01, residual support = 135.5:
          HG3   LYS+ 106 - HN    LYS+ 106   3.39 +/- 0.85  66.785% * 95.5263% (0.90   4.01 135.65) =  99.876%  kept
          HB    VAL   42 - HN    LYS+ 106  11.13 +/- 1.20   3.100% *  0.5297% (1.00   0.02   0.02) =   0.026%
          QB    LEU   98 - HN    LYS+ 106   8.68 +/- 0.69   5.716% *  0.2182% (0.41   0.02   0.02) =   0.020%
          HG3   LYS+ 102 - HN    LYS+ 106  12.21 +/- 1.36   2.209% *  0.5262% (0.99   0.02   0.02) =   0.018%
          HD3   LYS+ 121 - HN    LYS+ 106  13.11 +/- 7.35  11.049% *  0.0930% (0.18   0.02   0.02) =   0.016%
          HB3   LEU   73 - HN    LYS+ 106  17.33 +/- 3.39   1.428% *  0.5297% (1.00   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HN    LYS+ 106  15.26 +/- 1.20   1.002% *  0.5123% (0.97   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    LYS+ 106  10.63 +/- 1.10   3.361% *  0.1182% (0.22   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HN    LYS+ 106  20.70 +/- 3.01   0.597% *  0.5297% (1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LYS+ 106  13.21 +/- 1.18   1.633% *  0.1811% (0.34   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LYS+ 106  21.65 +/- 1.77   0.358% *  0.5203% (0.98   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    LYS+ 106  17.42 +/- 2.29   0.862% *  0.1638% (0.31   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LYS+ 106  25.65 +/- 3.32   0.238% *  0.3646% (0.69   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+ 106  18.71 +/- 4.64   0.995% *  0.0819% (0.15   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 106  18.97 +/- 2.00   0.667% *  0.1051% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.69 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 = 2.85, residual support = 26.3:
          QG1   VAL  107 - HN    LYS+ 106   4.50 +/- 0.51  81.997% * 97.0524% (0.53   2.85  26.29) =  99.873%  kept
          QG2   VAL   24 - HN    LYS+ 106  17.40 +/- 3.71   3.365% *  1.1218% (0.87   0.02   0.02) =   0.047%
          HG    LEU   63 - HN    LYS+ 106  14.98 +/- 2.72   3.140% *  0.9391% (0.73   0.02   0.02) =   0.037%
          QG1   VAL   24 - HN    LYS+ 106  18.63 +/- 4.01   6.521% *  0.2879% (0.22   0.02   0.02) =   0.024%
          HG3   LYS+ 112 - HN    LYS+ 106  14.67 +/- 0.92   2.743% *  0.3992% (0.31   0.02   0.02) =   0.014%
          HD3   LYS+ 112 - HN    LYS+ 106  15.92 +/- 1.33   2.232% *  0.1995% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.85 A violated in 0 structures by 0.10 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   3.57 +/- 0.18  94.129% * 99.4337% (0.98   4.52  65.09) =  99.988%  kept
          QD1   LEU   40 - HN    VAL  108  13.55 +/- 1.92   2.168% *  0.2184% (0.49   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    VAL  108  14.99 +/- 2.40   1.621% *  0.2360% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   67 - HN    VAL  108  15.66 +/- 3.19   2.082% *  0.1119% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 2.95, residual support = 7.72:
          QG2   ILE   89 - HN    ALA   91   3.40 +/- 0.91  73.402% * 98.9733% (1.00   2.96   7.73) =  99.898%  kept
          QD1   LEU  104 - HN    TRP   27  15.94 +/- 4.52  16.930% *  0.3069% (0.02   0.48   0.02) =   0.071%
          QG1   VAL   83 - HN    ALA   91  10.14 +/- 1.08   3.676% *  0.3524% (0.53   0.02   0.02) =   0.018%
          QG1   VAL   83 - HN    TRP   27  13.65 +/- 6.36   4.374% *  0.1813% (0.07   0.08   0.02) =   0.011%
          QG2   ILE   89 - HN    TRP   27  16.21 +/- 4.64   1.222% *  0.0828% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  20.14 +/- 1.69   0.396% *  0.1034% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 1 structures by 0.25 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.452, support = 5.26, residual support = 39.4:
          HG3   LYS+  99 - HN    GLU- 100   3.51 +/- 0.74  44.003% * 94.9553% (0.45   5.30  39.76) =  99.137%  kept
          QG2   THR   39 - HN    GLU- 100   7.03 +/- 3.83  18.284% *  0.7557% (0.95   0.02   0.02) =   0.328%  kept
          QB    ALA   34 - HN    GLU- 100   6.74 +/- 3.32  22.459% *  0.5801% (0.73   0.02   0.02) =   0.309%  kept
          HG3   LYS+  38 - HN    GLU- 100   9.54 +/- 5.39   9.118% *  0.7918% (0.99   0.02   0.02) =   0.171%  kept
          HG    LEU   71 - HN    GLU- 100  11.90 +/- 4.74   2.815% *  0.2998% (0.38   0.02   0.02) =   0.020%
          HG13  ILE   19 - HN    GLU- 100  14.85 +/- 3.26   0.749% *  0.5168% (0.65   0.02   0.02) =   0.009%
          HG2   LYS+  74 - HN    GLU- 100  18.25 +/- 2.45   1.138% *  0.3284% (0.41   0.02   0.02) =   0.009%
          QG2   THR   23 - HN    GLU- 100  17.59 +/- 3.23   0.834% *  0.2998% (0.38   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    GLU- 100  19.69 +/- 1.93   0.317% *  0.7165% (0.90   0.02   0.02) =   0.005%
          QB    ALA   91 - HN    GLU- 100  20.94 +/- 1.83   0.283% *  0.7557% (0.95   0.02   0.02) =   0.005%
    Distance limit 4.17 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 = 0.979, residual support = 5.5:
          QB    ALA   84 - HN    LYS+  81   4.47 +/- 0.16  81.588% * 76.0556% (0.57   0.98   5.52) =  99.532%  kept
          HB3   LEU   73 - HN    LYS+  81  15.71 +/- 2.40   2.482% *  2.5213% (0.92   0.02   0.02) =   0.100%  kept
          HB3   PRO   93 - HN    LYS+  81  16.89 +/- 1.87   1.901% *  1.6566% (0.61   0.02   0.02) =   0.051%
          HG3   LYS+ 106 - HN    LYS+  81  21.49 +/- 4.12   1.039% *  2.7313% (1.00   0.02   0.02) =   0.046%
          HB    VAL   42 - HN    LYS+  81  20.32 +/- 2.59   1.024% *  2.3692% (0.87   0.02   0.02) =   0.039%
          HG3   LYS+  65 - HN    LYS+  81  20.70 +/- 2.75   1.004% *  2.3692% (0.87   0.02   0.02) =   0.038%
          HB2   LYS+ 112 - HN    LYS+  81  23.77 +/- 3.92   0.833% *  2.6772% (0.98   0.02   0.02) =   0.036%
          HG3   LYS+ 102 - HN    LYS+  81  25.87 +/- 5.85   0.692% *  2.5837% (0.95   0.02   0.02) =   0.029%
          HG3   LYS+  33 - HN    LYS+  81  24.34 +/- 5.60   0.810% *  2.1870% (0.80   0.02   0.02) =   0.028%
          HG    LEU   98 - HN    LYS+  81  20.52 +/- 4.66   1.367% *  1.2245% (0.45   0.02   0.02) =   0.027%
          HB3   ASP-  44 - HN    LYS+  81  15.58 +/- 2.43   2.517% *  0.6081% (0.22   0.02   0.02) =   0.025%
          QB    LEU   98 - HN    LYS+  81  18.27 +/- 4.09   1.900% *  0.5405% (0.20   0.02   0.02) =   0.016%
          QB    ALA   12 - HN    LYS+  81  24.30 +/- 3.79   0.881% *  1.1229% (0.41   0.02   0.02) =   0.016%
          HB2   LEU   63 - HN    LYS+  81  19.85 +/- 3.24   1.443% *  0.4214% (0.15   0.02   0.02) =   0.010%
          QB    ALA  124 - HN    LYS+  81  28.80 +/- 3.68   0.519% *  0.9317% (0.34   0.02   0.02) =   0.008%
    Distance limit 4.21 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.8, residual support = 213.9:
          QD1   ILE   89 - HN    ILE   89   2.77 +/- 0.82  76.718% * 94.6850% (0.92   5.89 217.29) =  98.462%  kept
          QG2   VAL   83 - HN    ILE   89   5.52 +/- 0.82  22.311% *  5.0756% (1.00   0.29   0.02) =   1.535%  kept
          QD2   LEU   31 - HN    ILE   89  16.52 +/- 4.92   0.971% *  0.2394% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.77 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 = 0.368, support = 4.1, residual support = 10.4:
          QB    ALA   88 - HN    ILE   89   3.45 +/- 0.34  56.787% * 60.6526% (0.34   4.83   9.39) =  74.058%  kept
          QB    ALA   84 - HN    ILE   89   4.45 +/- 0.93  35.825% * 33.5540% (0.45   2.03  13.52) =  25.846%  kept
          HB3   LEU   80 - HN    ILE   89   9.62 +/- 1.20   3.043% *  0.7217% (0.98   0.02   0.02) =   0.047%
          HB3   ASP-  44 - HN    ILE   89  14.36 +/- 1.95   0.911% *  0.6150% (0.84   0.02   0.02) =   0.012%
          HB3   PRO   93 - HN    ILE   89  12.80 +/- 0.82   1.161% *  0.3027% (0.41   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HN    ILE   89  19.42 +/- 2.87   0.438% *  0.7217% (0.98   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    ILE   89  21.83 +/- 6.43   0.426% *  0.7347% (1.00   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    ILE   89  19.40 +/- 3.37   0.397% *  0.6797% (0.92   0.02   0.02) =   0.006%
          HG    LEU   98 - HN    ILE   89  18.62 +/- 4.74   0.595% *  0.4169% (0.57   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    ILE   89  24.93 +/- 4.20   0.190% *  0.5896% (0.80   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ILE   89  28.02 +/- 2.18   0.116% *  0.5058% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ILE   89  29.18 +/- 4.17   0.110% *  0.5058% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 0.587, support = 4.29, residual support = 35.9:
          QB    ALA   91 - HN    GLN   90   4.53 +/- 0.36  41.604% * 61.1609% (0.84   3.04  31.91) =  57.606%  kept
          HG12  ILE   89 - HN    GLN   90   4.09 +/- 0.82  52.016% * 35.9687% (0.25   5.99  41.25) =  42.356%  kept
          HG2   LYS+  74 - HN    GLN   90  15.68 +/- 2.72   1.393% *  0.4443% (0.92   0.02   0.02) =   0.014%
          QG2   ILE   56 - HN    GLN   90  14.15 +/- 2.98   1.735% *  0.1807% (0.38   0.02   0.02) =   0.007%
          HG13  ILE   19 - HN    GLN   90  24.72 +/- 4.76   0.330% *  0.4813% (1.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    GLN   90  22.37 +/- 2.45   0.388% *  0.4021% (0.84   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    GLN   90  25.40 +/- 3.27   0.278% *  0.4317% (0.90   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    GLN   90  17.66 +/- 3.26   1.250% *  0.0953% (0.20   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    GLN   90  26.87 +/- 3.23   0.233% *  0.4553% (0.95   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    GLN   90  20.85 +/- 3.69   0.620% *  0.1072% (0.22   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    GLN   90  30.99 +/- 3.50   0.154% *  0.2725% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.03, residual support = 95.1:
      O   QG    GLN   90 - HE21  GLN   90   2.22 +/- 0.25  97.593% * 98.4545% (0.34  10.0   3.03  95.06) =  99.995%  kept
          HG3   MET   92 - HE21  GLN   90  11.22 +/- 1.89   1.060% *  0.2886% (1.00   1.0   0.02   0.17) =   0.003%
          HB3   ASP-  76 - HE21  GLN   90  15.20 +/- 3.18   0.636% *  0.1634% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HE21  GLN   90  29.27 +/- 5.63   0.076% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  24.54 +/- 1.97   0.084% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  25.36 +/- 1.82   0.080% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.54 +/- 1.92   0.219% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  24.61 +/- 2.14   0.089% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  31.56 +/- 2.86   0.042% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  28.98 +/- 3.77   0.063% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  30.38 +/- 4.40   0.059% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 95.1:
      O   HB2   GLN   90 - HN    GLN   90   3.49 +/- 0.71  94.956% * 99.4917% (0.73  10.0   5.59  95.06) =  99.994%  kept
          HB3   GLU-  79 - HN    GLN   90  13.15 +/- 2.23   3.427% *  0.1343% (0.98   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    GLN   90  27.15 +/- 5.14   0.387% *  0.1229% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLN   90  28.22 +/- 4.04   0.302% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  26.70 +/- 5.63   0.431% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  28.03 +/- 3.63   0.287% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  30.90 +/- 3.55   0.210% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.851, support = 5.37, residual support = 43.2:
          QD2   LEU   73 - HN    PHE   72   4.55 +/- 0.70  36.691% * 93.7365% (0.87   5.54  44.61) =  96.747%  kept
          QG2   VAL   18 - HN    PHE   72   7.13 +/- 4.59  23.311% *  4.1048% (0.34   0.62   1.56) =   2.692%  kept
          QG1   VAL   43 - HN    PHE   72   7.88 +/- 1.65   9.936% *  1.1497% (0.57   0.10   0.02) =   0.321%  kept
          QG1   VAL   41 - HN    PHE   72   6.81 +/- 1.61  19.406% *  0.2983% (0.76   0.02   0.02) =   0.163%  kept
          HG    LEU   31 - HN    PHE   72  10.83 +/- 2.03   4.662% *  0.3767% (0.97   0.02   0.02) =   0.049%
          QD1   ILE   56 - HN    PHE   72  13.10 +/- 2.56   2.802% *  0.2367% (0.61   0.02   0.02) =   0.019%
          QG2   THR   46 - HN    PHE   72  11.60 +/- 1.92   3.192% *  0.0973% (0.25   0.02   0.02) =   0.009%
    Distance limit 4.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 47.1:
          QB    ALA   64 - HN    PHE   72   3.85 +/- 1.01  97.237% * 99.9189% (1.00   4.32  47.11) =  99.998%  kept
          QB    ALA   47 - HN    PHE   72  15.69 +/- 1.66   2.763% *  0.0811% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.701, support = 2.54, residual support = 7.65:
          HB    ILE   19 - HN    LYS+  74   7.36 +/- 5.01  39.587% * 91.7260% (0.71   2.58   7.80) =  98.094%  kept
          HB2   GLN   17 - HN    LYS+  74  11.91 +/- 4.95  10.295% *  4.8045% (0.43   0.22   0.02) =   1.336%  kept
          HG2   PRO   68 - HN    LYS+  74  14.64 +/- 1.93   9.033% *  0.6973% (0.69   0.02   0.02) =   0.170%  kept
          QB    GLU- 114 - HN    LYS+  74  16.59 +/- 2.66   5.558% *  0.7098% (0.71   0.02   0.02) =   0.107%  kept
          HB2   LEU  115 - HN    LYS+  74  14.88 +/- 2.92  10.149% *  0.2427% (0.24   0.02   0.02) =   0.067%
          HB3   GLU-  25 - HN    LYS+  74  14.20 +/- 2.30   4.197% *  0.5696% (0.57   0.02   0.02) =   0.065%
          QB    GLU-  15 - HN    LYS+  74  13.82 +/- 3.32   5.118% *  0.4315% (0.43   0.02   0.02) =   0.060%
          HG3   PRO   58 - HN    LYS+  74  16.54 +/- 3.00   5.518% *  0.2670% (0.27   0.02   0.02) =   0.040%
          HB3   PRO   68 - HN    LYS+  74  14.58 +/- 2.17   8.236% *  0.1774% (0.18   0.02   0.02) =   0.039%
          HB2   LYS+ 111 - HN    LYS+  74  20.72 +/- 2.66   2.308% *  0.3743% (0.37   0.02   0.02) =   0.023%
    Distance limit 4.64 A violated in 7 structures by 1.60 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.32, residual support = 40.9:
          QD1   LEU   73 - HN    LYS+  74   4.57 +/- 0.65  53.482% * 91.6659% (0.37   5.46  42.01) =  97.350%  kept
          QD1   LEU   63 - HN    LYS+  74   8.60 +/- 2.27  20.203% *  5.9716% (0.37   0.36   0.02) =   2.396%  kept
          QD2   LEU   80 - HN    LYS+  74  10.23 +/- 2.91   8.356% *  0.5724% (0.64   0.02   0.02) =   0.095%
          QD2   LEU  115 - HN    LYS+  74  12.41 +/- 2.69   6.459% *  0.5537% (0.61   0.02   0.02) =   0.071%
          QG1   VAL   83 - HN    LYS+  74  11.72 +/- 2.45   4.484% *  0.4878% (0.54   0.02   0.02) =   0.043%
          QD1   LEU  104 - HN    LYS+  74  14.85 +/- 2.47   2.791% *  0.6369% (0.71   0.02   0.02) =   0.035%
          QG2   ILE   89 - HN    LYS+  74  12.44 +/- 3.06   4.225% *  0.1118% (0.12   0.02   0.02) =   0.009%
    Distance limit 4.64 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.355, support = 4.55, residual support = 27.6:
          QG2   THR   77 - HN    ASP-  78   3.82 +/- 0.55  51.052% * 77.7165% (0.34   4.74  28.59) =  95.531%  kept
          HB3   LEU   80 - HN    ASP-  78   7.24 +/- 1.06  10.392% * 16.3820% (0.69   0.50   6.27) =   4.099%  kept
          HB2   LEU   31 - HN    ASP-  78  19.09 +/- 4.58   8.385% *  0.8030% (0.84   0.02   0.02) =   0.162%  kept
          QB    ALA   84 - HN    ASP-  78   5.68 +/- 0.91  19.920% *  0.1483% (0.15   0.02   0.02) =   0.071%
          QB    ALA   88 - HN    ASP-  78  11.29 +/- 1.44   2.629% *  0.6981% (0.73   0.02   0.02) =   0.044%
          HB3   ASP-  44 - HN    ASP-  78  10.41 +/- 1.57   3.687% *  0.4310% (0.45   0.02   0.02) =   0.038%
          HB2   LEU   63 - HN    ASP-  78  14.67 +/- 3.27   1.889% *  0.5443% (0.57   0.02   0.02) =   0.025%
          HG2   LYS+ 111 - HN    ASP-  78  20.48 +/- 4.12   0.667% *  0.8622% (0.90   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HN    ASP-  78  24.05 +/- 2.17   0.245% *  0.9614% (1.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HN    ASP-  78  26.33 +/- 3.00   0.216% *  0.9424% (0.98   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ASP-  78  18.18 +/- 2.63   0.621% *  0.2140% (0.22   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ASP-  78  24.98 +/- 2.98   0.297% *  0.2967% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.34 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 = 0.937, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   7.56 +/- 2.34  61.928% * 32.6601% (0.92   0.02   0.02) =  61.049%  kept
          QG1   VAL   42 - HN    ASP-  78  12.30 +/- 1.22  23.268% * 34.6797% (0.98   0.02   0.02) =  24.356%  kept
          HG2   LYS+ 112 - HN    ASP-  78  18.08 +/- 4.75  14.805% * 32.6601% (0.92   0.02   0.02) =  14.595%  kept
    Distance limit 4.58 A violated in 16 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.659, support = 4.25, residual support = 24.9:
          HB    THR   77 - HN    ASP-  78   3.86 +/- 0.38  59.305% * 38.0915% (0.45   4.74  28.59) =  55.575%  kept
          HA    GLU-  79 - HN    ASP-  78   4.95 +/- 0.23  29.958% * 60.1999% (0.92   3.64  20.30) =  44.368%  kept
          HA    ALA   57 - HN    ASP-  78  14.54 +/- 3.91   1.872% *  0.3215% (0.90   0.02   0.02) =   0.015%
          HA1   GLY   51 - HN    ASP-  78  14.61 +/- 3.63   1.668% *  0.3577% (1.00   0.02   0.02) =   0.015%
          HA    SER   85 - HN    ASP-  78  11.44 +/- 1.13   2.739% *  0.1607% (0.45   0.02   0.02) =   0.011%
          HA    ASP-  44 - HN    ASP-  78  10.65 +/- 1.03   3.012% *  0.1346% (0.38   0.02   0.02) =   0.010%
          HA    THR   39 - HN    ASP-  78  22.76 +/- 1.89   0.338% *  0.3460% (0.97   0.02   0.02) =   0.003%
          HA    ILE  103 - HN    ASP-  78  19.97 +/- 2.31   0.534% *  0.2030% (0.57   0.02   0.02) =   0.003%
          HA    MET   11 - HN    ASP-  78  29.00 +/- 4.58   0.229% *  0.1223% (0.34   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  78  23.14 +/- 3.28   0.346% *  0.0628% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.36 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 = 39.6:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.05  90.790% * 98.6741% (1.00  10.0   4.57  39.62) =  99.918%  kept
          HA    LEU   80 - HN    ASP-  78   7.03 +/- 0.49   5.988% *  1.1915% (0.49   1.0   0.50   6.27) =   0.080%
          HA    THR   23 - HN    ASP-  78  14.46 +/- 5.32   1.870% *  0.0856% (0.87   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    ASP-  78  16.16 +/- 5.07   1.149% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.65 +/- 1.35   0.203% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.989, support = 8.09, residual support = 199.8:
      O   HA    ILE  119 - HN    ILE  119   2.79 +/- 0.05  58.196% * 50.7779% (1.00  10.0   8.59 267.92) =  67.235%  kept
      O   HA    THR  118 - HN    ILE  119   3.51 +/- 0.04  29.385% * 49.0042% (0.97  10.0   7.06  60.12) =  32.763%  kept
          HA    VAL   75 - HN    CYS   21   8.91 +/- 6.42   8.967% *  0.0028% (0.06   1.0   0.02   2.24) =   0.001%
          HA2   GLY  109 - HN    ILE  119  13.97 +/- 1.56   0.524% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  20.83 +/- 5.91   1.086% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  21.76 +/- 2.39   0.147% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  17.77 +/- 3.21   0.409% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  22.77 +/- 2.46   0.134% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  17.82 +/- 6.75   0.419% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  19.28 +/- 3.69   0.305% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  17.75 +/- 1.99   0.314% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  22.81 +/- 1.59   0.114% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.705, support = 5.3, residual support = 29.8:
          HB2   CYS   53 - HN    ARG+  54   3.24 +/- 0.45  61.362% * 76.5416% (0.72   5.52  31.70) =  93.823%  kept
          HD3   PRO   52 - HN    ARG+  54   5.27 +/- 0.22  16.245% * 13.3469% (0.26   2.65   1.92) =   4.331%  kept
          HD2   PRO   58 - HN    ARG+  54   7.52 +/- 1.59  10.284% *  8.4204% (0.87   0.50   0.02) =   1.730%  kept
          HD2   PRO   58 - HN    ASP-  62   6.88 +/- 0.75   7.321% *  0.7403% (0.16   0.24   0.02) =   0.108%  kept
          HA    VAL   83 - HN    ARG+  54  20.66 +/- 3.68   0.443% *  0.3147% (0.82   0.02   0.02) =   0.003%
          HB2   CYS   53 - HN    ASP-  62  11.16 +/- 1.82   2.303% *  0.0519% (0.14   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ARG+  54  28.87 +/- 2.03   0.102% *  0.3030% (0.79   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  25.73 +/- 3.53   0.172% *  0.1237% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.59 +/- 3.64   0.362% *  0.0567% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  21.88 +/- 2.26   0.253% *  0.0589% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.56 +/- 3.06   0.564% *  0.0232% (0.06   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.90 +/- 1.62   0.589% *  0.0189% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.879, support = 0.685, residual support = 0.312:
          QG2   VAL   18 - HN    ALA   61   9.19 +/- 3.76  21.709% * 38.4132% (0.95   0.89   0.58) =  48.953%  kept
          QG2   THR   46 - HN    ALA   61   8.06 +/- 2.80  26.216% * 15.1608% (0.87   0.38   0.02) =  23.331%  kept
          QG1   VAL   41 - HN    ALA   61  13.04 +/- 2.28   9.336% * 31.2660% (0.92   0.75   0.11) =  17.135%  kept
          QD2   LEU   73 - HN    ALA   61   9.79 +/- 2.73  19.596% *  4.7012% (0.25   0.42   0.02) =   5.408%  kept
          QG1   VAL   43 - HN    ALA   61  11.00 +/- 1.55   8.975% *  6.0699% (1.00   0.13   0.02) =   3.198%  kept
          QD1   ILE   19 - HN    ALA   61  12.32 +/- 2.81   8.557% *  3.7071% (0.53   0.16   0.02) =   1.862%  kept
          HG    LEU   31 - HN    ALA   61  17.62 +/- 3.30   3.021% *  0.3409% (0.38   0.02   0.02) =   0.060%
          QD2   LEU  104 - HN    ALA   61  16.20 +/- 1.94   2.589% *  0.3409% (0.38   0.02   0.02) =   0.052%
    Distance limit 4.65 A violated in 5 structures by 1.08 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.919, support = 5.72, residual support = 51.8:
          QB    GLU-  36 - HN    ASN   35   4.20 +/- 0.20  67.556% * 96.6122% (0.92   5.75  52.13) =  99.316%  kept
          HB2   LYS+  38 - HN    ASN   35   6.70 +/- 0.76  19.138% *  2.1212% (0.28   0.42   0.02) =   0.618%  kept
          HB3   GLU-  29 - HN    ASN   35   9.02 +/- 0.87   7.839% *  0.3606% (0.99   0.02   0.02) =   0.043%
          HG3   GLU-  29 - HN    ASN   35  10.94 +/- 0.72   4.194% *  0.2642% (0.73   0.02   0.02) =   0.017%
          HB3   GLU-  79 - HN    ASN   35  21.58 +/- 4.10   1.054% *  0.3155% (0.87   0.02   0.02) =   0.005%
          HB2   GLN   90 - HN    ASN   35  30.27 +/- 4.00   0.219% *  0.3262% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.86 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 = 47.8:
      O   QB    MET   11 - HN    MET   11   2.88 +/- 0.42  87.909% * 99.3665% (0.69  10.0   3.00  47.81) =  99.995%  kept
          HG3   GLU-  25 - HN    MET   11  19.62 +/- 8.14   5.772% *  0.0286% (0.20   1.0   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    MET   11  19.36 +/- 4.92   0.620% *  0.1255% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  12.30 +/- 1.85   2.087% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11   9.93 +/- 1.57   2.943% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  27.20 +/- 4.58   0.157% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  30.50 +/- 4.18   0.101% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  36.63 +/- 5.17   0.079% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  34.96 +/- 7.62   0.137% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.00 +/- 4.52   0.197% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 47.8:
          HG2   MET   11 - HN    MET   11   3.75 +/- 0.83  87.453% * 97.3780% (0.92   3.31  47.81) =  99.941%  kept
          HB2   GLU-  14 - HN    MET   11  10.81 +/- 1.65   5.304% *  0.6025% (0.95   0.02   0.02) =   0.038%
          QB    GLN   32 - HN    MET   11  16.91 +/- 5.49   3.553% *  0.1771% (0.28   0.02   0.02) =   0.007%
          HB2   PRO   68 - HN    MET   11  21.72 +/- 4.96   1.257% *  0.3100% (0.49   0.02   0.02) =   0.005%
          HG3   PRO   52 - HN    MET   11  35.98 +/- 8.21   0.518% *  0.6244% (0.98   0.02   0.02) =   0.004%
          HG2   PRO   58 - HN    MET   11  30.08 +/- 6.32   0.375% *  0.6244% (0.98   0.02   0.02) =   0.003%
          HB    VAL   24 - HN    MET   11  22.42 +/- 6.64   1.312% *  0.1418% (0.22   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    MET   11  31.39 +/- 4.82   0.229% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.8:
          HG3   MET   11 - HN    MET   11   3.20 +/- 0.54  92.273% * 98.0248% (0.92   3.31  47.81) =  99.968%  kept
          HB3   GLU-  14 - HN    MET   11  10.47 +/- 1.80   4.442% *  0.4902% (0.76   0.02   0.02) =   0.024%
          HB3   GLN   30 - HN    MET   11  18.23 +/- 4.96   1.791% *  0.2188% (0.34   0.02   0.02) =   0.004%
          HB3   PRO   58 - HN    MET   11  28.81 +/- 6.54   0.335% *  0.4406% (0.69   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    MET   11  29.14 +/- 4.18   0.191% *  0.2876% (0.45   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    MET   11  23.28 +/- 4.90   0.405% *  0.1269% (0.20   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    MET   11  23.52 +/- 4.95   0.440% *  0.0990% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  35.77 +/- 5.06   0.123% *  0.3122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.814, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  17.19 +/- 4.47  38.739% * 22.9200% (1.00   0.02   0.02) =  53.708%  kept
          HD3   LYS+  74 - HN    MET   11  23.43 +/- 4.42  19.262% * 12.0587% (0.53   0.02   0.02) =  14.050%  kept
          QG    LYS+  81 - HN    MET   11  28.96 +/- 4.50  10.104% * 19.1444% (0.84   0.02   0.02) =  11.700%  kept
          HB3   LYS+ 121 - HN    MET   11  29.70 +/- 5.52  12.670% *  8.6021% (0.38   0.02   0.02) =   6.592%  kept
          HG2   LYS+ 106 - HN    MET   11  33.92 +/- 4.28   5.757% * 17.5161% (0.76   0.02   0.02) =   6.100%  kept
          HG    LEU  104 - HN    MET   11  30.19 +/- 5.01   8.027% *  8.6021% (0.38   0.02   0.02) =   4.177%  kept
          HB3   LYS+ 111 - HN    MET   11  35.86 +/- 5.55   5.441% * 11.1564% (0.49   0.02   0.02) =   3.672%  kept
    Distance limit 4.36 A violated in 20 structures by 11.30 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   3.89 +/- 0.56  77.769% * 97.8379% (0.72   3.58  11.97) =  99.854%  kept
          HB2   GLU-  14 - HN    ALA   12   7.85 +/- 1.45  19.054% *  0.5451% (0.72   0.02   0.02) =   0.136%  kept
          HG2   PRO   58 - HN    ALA   12  27.99 +/- 5.67   0.452% *  0.5355% (0.71   0.02   0.02) =   0.003%
          HB2   PRO   68 - HN    ALA   12  18.99 +/- 4.69   1.343% *  0.1519% (0.20   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    ALA   12  34.52 +/- 7.54   0.328% *  0.5355% (0.71   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    ALA   12  29.59 +/- 4.09   0.273% *  0.2246% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  31.42 +/- 8.05   0.630% *  0.0957% (0.13   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ALA   12  34.07 +/- 3.79   0.151% *  0.0739% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 2.29, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.62 +/- 0.32  91.285% * 99.1918% (0.68  10.0   2.29  12.41) =  99.995%  kept
          HD3   LYS+ 121 - HN    ALA   12  27.62 +/- 7.24   5.865% *  0.0431% (0.30   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    ALA   12  15.47 +/- 4.33   0.981% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA   12  21.03 +/- 5.29   0.424% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  19.70 +/- 3.58   0.302% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  22.31 +/- 3.86   0.263% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.68 +/- 3.74   0.189% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  19.89 +/- 2.99   0.287% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.25 +/- 5.10   0.087% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  31.77 +/- 5.95   0.075% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  30.80 +/- 3.84   0.070% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.19 +/- 4.42   0.092% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  29.72 +/- 4.48   0.080% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 5.16:
          QB    ALA   12 - HN    SER   13   2.77 +/- 0.59  89.808% * 91.5357% (0.95   1.76   5.16) =  99.920%  kept
          HD3   LYS+ 121 - HN    SER   13  25.38 +/- 6.84   5.279% *  0.4515% (0.41   0.02   0.02) =   0.029%
          HG3   LYS+  33 - HN    SER   13  13.71 +/- 3.50   1.653% *  1.0389% (0.95   0.02   0.02) =   0.021%
          HG3   LYS+  65 - HN    SER   13  19.20 +/- 4.34   0.678% *  0.9849% (0.90   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    SER   13  17.59 +/- 3.29   0.547% *  0.9173% (0.84   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    SER   13  20.08 +/- 2.77   0.344% *  0.9849% (0.90   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    SER   13  20.82 +/- 2.84   0.392% *  0.7975% (0.73   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    SER   13  17.80 +/- 2.70   0.541% *  0.4924% (0.45   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    SER   13  28.24 +/- 4.29   0.181% *  0.8794% (0.80   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   13  28.52 +/- 3.08   0.129% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  29.56 +/- 5.42   0.103% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  26.20 +/- 5.26   0.226% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  27.46 +/- 4.15   0.120% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 2.46, residual support = 6.6:
          QB    SER   13 - HN    GLU-  14   3.18 +/- 0.61  93.455% * 95.5588% (0.45   2.46   6.61) =  99.932%  kept
          HB3   SER   37 - HN    GLU-  14  13.43 +/- 4.74   3.349% *  1.0036% (0.58   0.02   0.02) =   0.038%
          HB    THR   39 - HN    GLU-  14  14.39 +/- 4.74   2.353% *  0.8253% (0.48   0.02   0.02) =   0.022%
          HB    THR  118 - HN    GLU-  14  23.02 +/- 4.42   0.387% *  1.1989% (0.70   0.02   0.02) =   0.005%
          HA    ILE   89 - HN    GLU-  14  30.21 +/- 4.29   0.198% *  1.0036% (0.58   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    GLU-  14  28.67 +/- 5.60   0.257% *  0.4098% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.72 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 = 3.64, residual support = 36.5:
          QG    GLU-  14 - HN    GLU-  14   3.62 +/- 0.68  49.827% * 67.1853% (0.53   4.04  45.40) =  79.742%  kept
          QG    GLU-  15 - HN    GLU-  14   5.04 +/- 1.12  29.431% * 27.8851% (0.42   2.11   1.68) =  19.549%  kept
          HB2   GLU-  29 - HN    GLU-  14  13.75 +/- 5.30   9.371% *  2.9710% (0.51   0.19   0.02) =   0.663%  kept
          HB3   PHE   72 - HN    GLU-  14  13.91 +/- 2.24   2.441% *  0.3633% (0.58   0.02   0.02) =   0.021%
          QB    MET   11 - HN    GLU-  14   7.54 +/- 1.24   7.822% *  0.0861% (0.14   0.02   0.02) =   0.016%
          HG12  ILE  119 - HN    GLU-  14  22.16 +/- 4.02   0.290% *  0.4311% (0.69   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLU-  14  19.73 +/- 1.98   0.342% *  0.3158% (0.51   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    GLU-  14  28.59 +/- 3.94   0.204% *  0.3901% (0.62   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    GLU-  14  30.50 +/- 3.25   0.106% *  0.2638% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  25.64 +/- 3.59   0.166% *  0.1085% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 3.89, residual support = 45.4:
      O   HB2   GLU-  14 - HN    GLU-  14   3.33 +/- 0.59  82.931% * 99.6047% (0.70  10.0   3.89  45.40) =  99.987%  kept
          HG2   MET   11 - HN    GLU-  14   8.88 +/- 1.44   6.969% *  0.0998% (0.70   1.0   0.02   0.02) =   0.008%
          HB2   PRO   68 - HN    GLU-  14  14.99 +/- 3.86   7.775% *  0.0278% (0.19   1.0   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    GLU-  14  23.94 +/- 4.29   0.504% *  0.0978% (0.68   1.0   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU-  14  30.64 +/- 6.47   0.458% *  0.0978% (0.68   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    GLU-  14  27.88 +/- 6.67   0.940% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  25.43 +/- 2.97   0.266% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.55 +/- 2.51   0.157% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.88, residual support = 45.4:
      O   HB3   GLU-  14 - HN    GLU-  14   3.27 +/- 0.27  89.634% * 99.6986% (0.62  10.0   3.88  45.40) =  99.991%  kept
          HG3   MET   11 - HN    GLU-  14   9.25 +/- 1.57   8.375% *  0.0807% (0.51   1.0   0.02   0.02) =   0.008%
          HB2   LEU   40 - HN    GLU-  14  16.68 +/- 3.91   0.981% *  0.0850% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    GLU-  14  22.87 +/- 2.04   0.316% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  27.81 +/- 6.65   0.695% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 84.9:
          QG    GLN   17 - HN    GLN   17   3.16 +/- 0.70  87.612% * 98.8358% (1.00   5.61  84.98) =  99.960%  kept
          HB    VAL   70 - HN    GLN   17   9.99 +/- 4.17   7.314% *  0.3464% (0.98   0.02   0.02) =   0.029%
          HB2   GLU-  25 - HN    GLN   17  16.87 +/- 3.51   1.649% *  0.3503% (0.99   0.02   0.02) =   0.007%
          HB2   MET   96 - HN    GLN   17  18.43 +/- 3.06   0.696% *  0.2286% (0.65   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    GLN   17  16.14 +/- 3.96   1.277% *  0.0983% (0.28   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    GLN   17  18.85 +/- 3.66   0.798% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  19.20 +/- 4.79   0.654% *  0.0619% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.32, residual support = 81.1:
      O   HB2   GLN   17 - HN    GLN   17   3.29 +/- 0.60  47.754% * 90.2351% (0.92  10.0   5.50  84.98) =  95.492%  kept
          QB    GLU-  15 - HN    GLN   17   4.33 +/- 0.45  25.331% *  7.6962% (0.92   1.0   1.71   0.02) =   4.320%  kept
          HB    ILE   19 - HN    GLN   17   7.69 +/- 0.71   4.420% *  1.6535% (0.80   1.0   0.42   0.02) =   0.162%  kept
          HB3   PRO   68 - HN    GLN   17  11.38 +/- 5.25  12.542% *  0.0553% (0.57   1.0   0.02   0.02) =   0.015%
          HG2   PRO   68 - HN    GLN   17  11.98 +/- 3.98   3.212% *  0.0710% (0.73   1.0   0.02   0.02) =   0.005%
          HG3   GLN   30 - HN    GLN   17  10.90 +/- 2.57   5.250% *  0.0218% (0.22   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    GLN   17  17.62 +/- 3.71   1.159% *  0.0975% (1.00   1.0   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLN   17  20.91 +/- 3.05   0.219% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  26.06 +/- 3.50   0.114% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 85.0:
      O   HB3   GLN   17 - HN    GLN   17   3.05 +/- 0.36  68.828% * 99.6298% (0.98  10.0   5.27  84.98) =  99.968%  kept
          HB2   LEU   71 - HN    GLN   17   8.81 +/- 6.49  23.922% *  0.0777% (0.76   1.0   0.02   0.02) =   0.027%
          QB    LYS+  65 - HN    GLN   17  11.08 +/- 3.67   2.970% *  0.0738% (0.73   1.0   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    GLN   17  11.93 +/- 3.66   2.575% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  20.93 +/- 3.55   0.328% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  18.19 +/- 3.69   0.453% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  17.40 +/- 3.42   0.550% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  23.16 +/- 2.60   0.199% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  25.20 +/- 4.34   0.175% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 2.14, residual support = 8.05:
          QB    GLU-  15 - HN    GLY   16   2.84 +/- 0.58  59.871% * 39.3805% (0.98   1.94   5.54) =  78.342%  kept
          HB2   GLN   17 - HN    GLY   16   5.59 +/- 0.68  11.041% * 58.4209% (0.98   2.88  17.29) =  21.433%  kept
          HB3   PRO   68 - HN    GLY   16  11.35 +/- 5.23  12.003% *  0.3247% (0.78   0.02   0.02) =   0.130%  kept
          HG2   PRO   68 - HN    GLY   16  11.92 +/- 4.13   6.252% *  0.1974% (0.47   0.02   0.02) =   0.041%
          HG3   GLN   30 - HN    GLY   16  11.53 +/- 2.76   3.225% *  0.1667% (0.40   0.02   0.02) =   0.018%
          HB    ILE   19 - HN    GLY   16   8.90 +/- 1.01   2.223% *  0.2296% (0.55   0.02   0.02) =   0.017%
          HB2   GLN   30 - HN    GLY   16  11.67 +/- 2.64   4.047% *  0.0710% (0.17   0.02   0.02) =   0.010%
          HB3   GLU-  25 - HN    GLY   16  18.74 +/- 3.49   0.465% *  0.3836% (0.92   0.02   0.02) =   0.006%
          QB    GLU- 114 - HN    GLY   16  21.73 +/- 3.22   0.162% *  0.2623% (0.63   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLY   16  27.10 +/- 3.66   0.084% *  0.4019% (0.97   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLY   16  19.44 +/- 4.33   0.354% *  0.0903% (0.22   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  19.34 +/- 3.51   0.274% *  0.0710% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.29 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 = 0.7, support = 5.8, residual support = 50.3:
          QG    GLN   17 - HN    VAL   18   3.21 +/- 0.64  81.503% * 98.7502% (0.70   5.81  50.30) =  99.940%  kept
          HB2   GLU-  25 - HN    VAL   18  15.90 +/- 3.68   4.994% *  0.3913% (0.81   0.02   0.02) =   0.024%
          HB    VAL   70 - HN    VAL   18   9.95 +/- 4.85   5.493% *  0.3031% (0.62   0.02   0.02) =   0.021%
          HG3   GLU-  29 - HN    VAL   18  15.14 +/- 3.94   6.113% *  0.1168% (0.24   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    VAL   18  18.39 +/- 3.32   1.170% *  0.3218% (0.66   0.02   0.02) =   0.005%
          HB2   MET   96 - HN    VAL   18  16.97 +/- 3.75   0.727% *  0.1168% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.42 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 = 0.699, support = 4.98, residual support = 76.4:
      O   HB    VAL   18 - HN    VAL   18   2.44 +/- 0.39  82.468% * 93.7514% (0.70  10.0   4.99  76.66) =  99.623%  kept
          HB    ILE   19 - HN    VAL   18   6.90 +/- 0.37   4.891% *  5.7688% (0.21   1.0   4.01  22.78) =   0.364%  kept
          HB2   LEU   67 - HN    VAL   18  10.36 +/- 6.15   5.405% *  0.1221% (0.91   1.0   0.02   0.02) =   0.009%
          HG2   PRO   68 - HN    VAL   18  12.68 +/- 4.28   3.718% *  0.0359% (0.27   1.0   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HN    VAL   18  20.97 +/- 5.63   2.109% *  0.0579% (0.43   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    VAL   18  17.38 +/- 3.75   0.770% *  0.1192% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  17.82 +/- 3.36   0.393% *  0.1221% (0.91   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    VAL   18  19.17 +/- 3.19   0.247% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.348, support = 5.27, residual support = 48.4:
          HB3   GLN   17 - HN    VAL   18   3.39 +/- 0.75  67.647% * 82.1038% (0.33   5.47  50.30) =  96.133%  kept
          QB    LYS+  65 - HN    VAL   18   9.13 +/- 4.68  16.042% * 13.2373% (0.87   0.34   0.02) =   3.676%  kept
          HB2   LEU   71 - HN    VAL   18  10.30 +/- 6.03   6.884% *  0.7637% (0.84   0.02   0.02) =   0.091%
          QB    LYS+  66 - HN    VAL   18  10.95 +/- 4.20   4.739% *  0.7354% (0.81   0.02   0.02) =   0.060%
          HB    VAL   41 - HN    VAL   18  13.93 +/- 3.17   1.499% *  0.5696% (0.62   0.02   0.02) =   0.015%
          QB    LYS+ 102 - HN    VAL   18  21.00 +/- 3.24   0.560% *  0.8497% (0.93   0.02   0.02) =   0.008%
          HG2   PRO   93 - HN    VAL   18  20.36 +/- 3.47   0.417% *  0.8727% (0.96   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    VAL   18  18.28 +/- 4.55   1.254% *  0.2195% (0.24   0.02   0.02) =   0.005%
          HG12  ILE  103 - HN    VAL   18  19.83 +/- 3.19   0.585% *  0.4286% (0.47   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    VAL   18  24.02 +/- 4.93   0.373% *  0.2195% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.897, support = 5.18, residual support = 74.5:
          QG2   VAL   18 - HN    VAL   18   2.55 +/- 0.66  71.818% * 72.2733% (0.91   5.26  76.66) =  96.091%  kept
          QD1   ILE   19 - HN    VAL   18   6.02 +/- 0.93   7.854% * 26.6252% (0.51   3.48  22.78) =   3.871%  kept
          QD2   LEU   73 - HN    VAL   18   8.90 +/- 4.03  16.738% *  0.0725% (0.24   0.02   0.23) =   0.022%
          QG1   VAL   41 - HN    VAL   18  11.56 +/- 2.52   1.043% *  0.2684% (0.89   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    VAL   18  13.05 +/- 3.75   0.921% *  0.2901% (0.96   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    VAL   18  13.70 +/- 4.08   0.553% *  0.2522% (0.84   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    VAL   18  14.48 +/- 2.27   0.601% *  0.1091% (0.36   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   18  16.71 +/- 2.96   0.472% *  0.1091% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.54:
          QB    ALA   64 - HN    VAL   18   6.84 +/- 4.56  75.558% * 99.8613% (0.84   2.25   8.55) =  99.955%  kept
          QD1   LEU  115 - HN    VAL   18  14.06 +/- 2.89  24.442% *  0.1387% (0.13   0.02   0.02) =   0.045%
    Distance limit 4.33 A violated in 8 structures by 2.83 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.41, support = 4.06, residual support = 19.4:
          HN    PHE   59 - HN    PHE   60   2.75 +/- 0.20  56.756% * 57.1718% (0.44   4.32  20.17) =  87.048%  kept
          QE    PHE   59 - HN    THR  118   3.89 +/- 0.64  24.017% * 12.7133% (0.16   2.65  12.40) =   8.191%  kept
          QE    PHE   59 - HN    PHE   60   5.85 +/- 0.87   8.497% * 15.7186% (0.28   1.85  20.17) =   3.583%  kept
          HN    HIS  122 - HN    THR  118   6.99 +/- 0.25   3.662% * 11.6752% (0.21   1.84   5.06) =   1.147%  kept
          HN    HIS  122 - HN    GLU-  15  19.61 +/- 4.64   0.548% *  0.4804% (0.80   0.02   0.02) =   0.007%
          HN    PHE   59 - HN    THR  118   9.43 +/- 0.95   1.586% *  0.1497% (0.25   0.02  12.40) =   0.006%
          HN    HIS  122 - HN    PHE   60  11.74 +/- 1.08   0.801% *  0.2242% (0.37   0.02   0.02) =   0.005%
          QE    PHE   59 - HN    GLU-  15  17.66 +/- 2.51   0.286% *  0.3639% (0.61   0.02   0.02) =   0.003%
          HN    PHE   59 - HN    GLU-  15  20.69 +/- 2.30   0.159% *  0.5675% (0.95   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    PHE   60   8.96 +/- 0.79   1.755% *  0.0490% (0.08   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  14.65 +/- 3.32   0.732% *  0.1051% (0.18   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    GLU-  15  26.76 +/- 6.00   0.091% *  0.4356% (0.73   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  19.89 +/- 3.13   0.182% *  0.2033% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  21.59 +/- 4.29   0.187% *  0.1149% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  13.65 +/- 2.31   0.741% *  0.0277% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.28 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 = 5.27, residual support = 41.5:
          HN    ALA   61 - HN    PHE   60   2.69 +/- 0.22  92.725% * 95.0152% (0.47   5.27  41.55) =  99.978%  kept
          HN    TRP   27 - HN    GLU-  15  15.52 +/- 2.81   0.668% *  0.5908% (0.76   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    GLU-  15  18.08 +/- 2.07   0.393% *  0.7731% (1.00   0.02   0.02) =   0.003%
          HN    ALA   61 - HN    THR  118  11.84 +/- 1.18   1.246% *  0.2039% (0.26   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    PHE   60  16.60 +/- 2.49   0.517% *  0.3576% (0.46   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    PHE   60  18.44 +/- 3.57   0.508% *  0.2757% (0.36   0.02   0.02) =   0.002%
          HN    THR   39 - HN    GLU-  15  14.38 +/- 3.81   0.904% *  0.1530% (0.20   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    PHE   60  19.34 +/- 3.06   0.314% *  0.3130% (0.40   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  22.15 +/- 5.00   0.621% *  0.1558% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    GLU-  15  28.48 +/- 4.64   0.102% *  0.6706% (0.87   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  29.24 +/- 3.05   0.087% *  0.7663% (0.99   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  20.94 +/- 3.82   0.301% *  0.1769% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  19.88 +/- 1.50   0.259% *  0.2021% (0.26   0.02   0.02) =   0.001%
          HN    THR   39 - HN    PHE   60  19.61 +/- 2.57   0.319% *  0.0714% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  18.76 +/- 2.34   0.323% *  0.0632% (0.08   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  19.80 +/- 3.92   0.388% *  0.0404% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  27.70 +/- 4.64   0.108% *  0.1354% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  21.91 +/- 3.20   0.218% *  0.0357% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 72.6:
      O   HB3   PHE   60 - HN    PHE   60   2.49 +/- 0.47  86.905% * 98.9222% (0.47  10.0   4.92  72.61) =  99.992%  kept
          HB3   PHE   60 - HN    THR  118  11.16 +/- 2.05   1.722% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  18.94 +/- 2.69   0.399% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  16.13 +/- 3.21   1.730% *  0.0482% (0.23   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  11.14 +/- 3.70   2.540% *  0.0294% (0.14   1.0   0.02   1.94) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  15.28 +/- 2.57   0.703% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  13.27 +/- 3.27   1.231% *  0.0529% (0.25   1.0   0.02   3.00) =   0.001%
          HB2   ASN   35 - HN    GLU-  15  17.43 +/- 4.06   1.121% *  0.0529% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    THR  118  19.81 +/- 4.54   1.916% *  0.0272% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  16.25 +/- 2.01   0.442% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  14.33 +/- 2.32   0.658% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  24.51 +/- 2.28   0.130% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  21.71 +/- 2.83   0.181% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  24.00 +/- 3.10   0.165% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.22 +/- 4.69   0.156% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 20.2:
          HB3   PHE   59 - HN    PHE   60   2.84 +/- 0.41  93.157% * 96.9838% (0.39   4.03  20.17) =  99.973%  kept
          HB3   PHE   59 - HN    THR  118   7.92 +/- 0.62   5.035% *  0.2722% (0.22   0.02  12.40) =   0.015%
          HB3   TRP   49 - HN    PHE   60  16.06 +/- 2.23   0.852% *  0.4617% (0.37   0.02   0.02) =   0.004%
          HB3   PHE   59 - HN    GLU-  15  20.65 +/- 2.25   0.303% *  1.0320% (0.84   0.02   0.02) =   0.003%
          HB3   TRP   49 - HN    GLU-  15  29.29 +/- 5.57   0.272% *  0.9894% (0.80   0.02   0.02) =   0.003%
          HB3   TRP   49 - HN    THR  118  22.07 +/- 3.02   0.381% *  0.2609% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 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 = 2.73, residual support = 5.1:
        T HN    SER  117 - HN    THR  118   2.68 +/- 0.14  97.051% * 97.7507% (0.17 10.00   2.73   5.11) =  99.965%  kept
        T HN    SER  117 - HN    PHE   60  10.52 +/- 0.95   1.795% *  1.7701% (0.30 10.00   0.02   0.02) =   0.033%
          HN    GLY   16 - HN    PHE   60  17.77 +/- 2.30   0.409% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    THR  118  20.47 +/- 3.77   0.378% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  21.63 +/- 2.76   0.234% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  26.43 +/- 3.02   0.133% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.49, residual support = 39.8:
          QG2   THR  118 - HN    THR  118   3.53 +/- 0.18  86.471% * 84.2893% (0.13   4.60  40.99) =  97.166%  kept
          QG2   THR  118 - HN    PHE   60   7.54 +/- 1.23  13.529% * 15.7107% (0.23   0.47   0.02) =   2.834%  kept
    Distance limit 4.11 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 = 0.16, support = 4.5, residual support = 60.9:
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.06  22.677% * 79.4231% (0.22  10.0   4.92  72.61) =  64.841%  kept
      O   HB    THR  118 - HN    THR  118   2.16 +/- 0.15  49.583% * 18.8505% (0.05  10.0   3.74  40.99) =  33.649%  kept
          QB    SER  117 - HN    THR  118   2.79 +/- 0.35  25.693% *  1.6295% (0.03   1.0   3.12   5.11) =   1.507%  kept
          HB    THR  118 - HN    PHE   60   8.94 +/- 1.28   0.969% *  0.0341% (0.09   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    THR  118   9.97 +/- 1.38   0.682% *  0.0439% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  11.12 +/- 0.77   0.396% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.35, residual support = 41.5:
      O   HA    THR  118 - HN    THR  118   2.84 +/- 0.04  59.352% * 71.0422% (0.14  10.0   4.33  40.99) =  93.298%  kept
          HA    ILE  119 - HN    THR  118   5.04 +/- 0.12  10.743% * 22.7408% (0.17   1.0   5.46  60.12) =   5.406%  kept
          HD3   PRO   58 - HN    PHE   60   4.47 +/- 0.82  20.231% *  2.5349% (0.06   1.0   1.72   0.02) =   1.135%  kept
          HA    ILE  119 - HN    PHE   60   8.41 +/- 0.92   2.564% *  2.3996% (0.30   1.0   0.32   0.02) =   0.136%  kept
          HA    THR  118 - HN    PHE   60  11.20 +/- 1.21   1.149% *  0.6637% (0.26   1.0   0.10   0.02) =   0.017%
          HA2   GLY  109 - HN    PHE   60  14.12 +/- 3.42   1.727% *  0.0755% (0.15   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    PHE   60  15.47 +/- 2.07   0.505% *  0.1406% (0.28   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    PHE   60  12.39 +/- 1.79   0.885% *  0.0632% (0.13   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    THR  118  12.36 +/- 1.67   0.862% *  0.0417% (0.08   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  18.20 +/- 2.12   0.247% *  0.1089% (0.22   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  11.24 +/- 1.30   1.103% *  0.0163% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  21.49 +/- 2.73   0.182% *  0.0776% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  17.85 +/- 2.09   0.303% *  0.0349% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  22.11 +/- 2.44   0.146% *  0.0601% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.02, residual support = 20.2:
      O   HA    PHE   59 - HN    PHE   60   3.55 +/- 0.07  58.863% * 99.4803% (0.99  10.0   4.02  20.17) =  99.976%  kept
          HA    ASP- 113 - HN    THR  118   6.62 +/- 0.68   9.782% *  0.0487% (0.48   1.0   0.02   0.02) =   0.008%
          HA    PHE   59 - HN    THR  118   8.52 +/- 1.06   4.965% *  0.0802% (0.80   1.0   0.02  12.40) =   0.007%
          HA    ILE   56 - HN    PHE   60   6.01 +/- 0.95  16.279% *  0.0154% (0.15   1.0   0.02   4.20) =   0.004%
          HA    ASP- 113 - HN    PHE   60  11.01 +/- 1.68   2.714% *  0.0605% (0.60   1.0   0.02   0.02) =   0.003%
          HA    ILE   56 - HN    THR  118  10.99 +/- 1.26   2.264% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  20.77 +/- 2.51   0.322% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  19.12 +/- 2.42   0.453% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.99 +/- 3.05   0.665% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  22.86 +/- 3.28   0.298% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.50 +/- 2.28   0.493% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  16.58 +/- 3.72   1.057% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  22.34 +/- 4.46   0.482% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  25.90 +/- 4.09   0.228% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.26 +/- 2.94   0.300% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  19.28 +/- 3.55   0.470% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  30.40 +/- 4.10   0.112% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  24.06 +/- 3.41   0.253% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.43 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 4.82, residual support = 68.7:
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.06  43.486% * 94.2162% (0.96  10.0   4.92  72.61) =  94.177%  kept
          QB    SER  117 - HN    THR  118   2.79 +/- 0.35  46.064% *  5.4945% (0.36   1.0   3.12   5.11) =   5.818%  kept
          HA    PHE   60 - HN    THR  118   9.97 +/- 1.38   1.406% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    THR  118   7.35 +/- 0.50   2.513% *  0.0138% (0.14   1.0   0.02   7.11) =   0.001%
          QB    SER  117 - HN    PHE   60  11.12 +/- 0.77   0.774% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    GLU-  15  21.12 +/- 5.76   2.849% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  12.75 +/- 1.66   0.588% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.98 +/- 2.16   0.681% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  18.12 +/- 2.31   0.204% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.31 +/- 1.04   0.364% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.75 +/- 1.58   0.406% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  22.00 +/- 4.10   0.206% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.10 +/- 2.43   0.185% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  27.94 +/- 5.80   0.208% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.70 +/- 1.60   0.067% *  0.0053% (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 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.529, support = 3.53, residual support = 29.3:
          HG12  ILE  119 - HN    THR  118   4.62 +/- 0.56  12.507% * 52.5241% (0.72   4.89  60.12) =  43.689%  kept
          QG    GLU-  14 - HN    GLU-  15   3.59 +/- 0.69  27.392% * 14.6577% (0.36   2.69   1.68) =  26.701%  kept
          QG    GLU-  15 - HN    GLU-  15   3.45 +/- 0.73  29.561% * 12.5011% (0.32   2.64  10.07) =  24.577%  kept
          HG12  ILE  119 - HN    PHE   60   6.72 +/- 0.87   4.575% *  7.2595% (0.89   0.54   0.02) =   2.209%  kept
          HB2   ASP-  44 - HN    PHE   60   6.93 +/- 1.91   6.505% *  4.5963% (0.89   0.34   2.39) =   1.988%  kept
          HB3   PHE   72 - HN    PHE   60  11.65 +/- 3.01   1.630% *  4.0054% (0.96   0.28   5.60) =   0.434%  kept
          HB2   ASP- 105 - HN    THR  118   9.71 +/- 4.45   3.457% *  1.2157% (0.11   0.75   4.35) =   0.279%  kept
          HB3   PHE   72 - HN    GLU-  15  12.75 +/- 3.25   4.251% *  0.1141% (0.38   0.02   0.02) =   0.032%
          HB3   PHE   72 - HN    THR  118  15.14 +/- 4.09   1.339% *  0.2312% (0.77   0.02   0.02) =   0.021%
          HB2   ASP-  44 - HN    THR  118  11.99 +/- 1.16   0.762% *  0.2148% (0.72   0.02   0.02) =   0.011%
          QG    GLU-  14 - HN    THR  118  20.87 +/- 4.38   0.722% *  0.2211% (0.74   0.02   0.02) =   0.011%
          QB    MET   11 - HN    GLU-  15   9.36 +/- 2.00   2.306% *  0.0403% (0.13   0.02   0.02) =   0.006%
          QG    GLU-  14 - HN    PHE   60  17.72 +/- 3.44   0.315% *  0.2744% (0.91   0.02   0.02) =   0.006%
          HG3   MET   92 - HN    PHE   60  14.08 +/- 2.70   0.649% *  0.1222% (0.41   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    GLU-  15  14.77 +/- 4.18   1.227% *  0.0622% (0.21   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   60  18.05 +/- 2.13   0.244% *  0.2946% (0.98   0.02   0.02) =   0.005%
          QG    GLU-  15 - HN    PHE   60  17.53 +/- 1.98   0.218% *  0.2380% (0.79   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR  118  19.90 +/- 3.34   0.262% *  0.1918% (0.64   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    THR  118  21.13 +/- 1.34   0.125% *  0.2374% (0.79   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    THR  118  16.16 +/- 1.79   0.284% *  0.0985% (0.33   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    PHE   60  22.11 +/- 3.60   0.164% *  0.1564% (0.52   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR  118  24.96 +/- 4.86   0.201% *  0.1260% (0.42   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    GLU-  15  20.32 +/- 3.27   0.224% *  0.1060% (0.35   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  15  18.46 +/- 1.64   0.191% *  0.1060% (0.35   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    PHE   60  15.01 +/- 2.63   0.439% *  0.0402% (0.13   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  23.76 +/- 4.40   0.135% *  0.1014% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    THR  118  27.10 +/- 4.54   0.112% *  0.0817% (0.27   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  28.10 +/- 3.50   0.052% *  0.1172% (0.39   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.37 +/- 2.20   0.045% *  0.0486% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  24.48 +/- 2.96   0.104% *  0.0160% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.165, support = 1.71, residual support = 8.31:
      O   QB    GLU-  15 - HN    GLU-  15   2.90 +/- 0.42  44.097% * 42.0057% (0.06  10.0   1.87  10.07) =  82.362%  kept
          QB    GLU- 114 - HN    THR  118   5.52 +/- 0.99  10.969% * 19.3919% (0.48   1.0   1.08   0.16) =   9.458%  kept
          HG3   PRO   58 - HN    PHE   60   6.20 +/- 0.53   5.352% * 29.4539% (0.89   1.0   0.90   0.02) =   7.010%  kept
          HB2   LEU  115 - HN    THR  118   5.53 +/- 0.45   7.914% *  2.4221% (0.69   1.0   0.09   0.17) =   0.852%  kept
          HB2   LEU  115 - HN    PHE   60   7.46 +/- 1.38   3.770% *  0.6348% (0.86   1.0   0.02   0.02) =   0.106%  kept
          HB2   GLN   17 - HN    GLU-  15   5.50 +/- 1.20  13.029% *  0.0449% (0.06   1.0   0.02   0.02) =   0.026%
          QB    GLU- 114 - HN    PHE   60  10.41 +/- 1.38   1.268% *  0.4439% (0.60   1.0   0.02   0.02) =   0.025%
          HG3   PRO   58 - HN    THR  118  12.20 +/- 1.99   1.027% *  0.5290% (0.72   1.0   0.02   0.02) =   0.024%
          HG2   PRO   68 - HN    THR  118  15.77 +/- 3.94   1.013% *  0.4508% (0.61   1.0   0.02   0.02) =   0.020%
          HB2   LEU   67 - HN    PHE   60  11.41 +/- 1.97   1.272% *  0.3562% (0.48   1.0   0.02   0.02) =   0.020%
          HG2   PRO   68 - HN    GLU-  15  13.77 +/- 3.71   1.763% *  0.2224% (0.30   1.0   0.02   0.02) =   0.017%
          HB    ILE   19 - HN    GLU-  15   9.98 +/- 1.14   1.378% *  0.1999% (0.27   1.0   0.02   0.02) =   0.012%
          HG2   PRO   68 - HN    PHE   60  14.33 +/- 2.04   0.487% *  0.5593% (0.76   1.0   0.02   0.02) =   0.012%
          HB    ILE   19 - HN    PHE   60  15.17 +/- 2.33   0.487% *  0.5027% (0.68   1.0   0.02   0.02) =   0.011%
          HB    VAL   18 - HN    PHE   60  13.00 +/- 3.85   0.984% *  0.1825% (0.25   1.0   0.02   0.17) =   0.008%
          HB2   LEU   67 - HN    THR  118  14.57 +/- 3.45   0.620% *  0.2871% (0.39   1.0   0.02   0.02) =   0.008%
          HB2   LEU   67 - HN    GLU-  15  13.55 +/- 3.82   0.880% *  0.1417% (0.19   1.0   0.02   0.02) =   0.006%
          HB    ILE   19 - HN    THR  118  18.60 +/- 3.28   0.248% *  0.4052% (0.55   1.0   0.02   0.02) =   0.004%
          HB    VAL   18 - HN    GLU-  15  10.01 +/- 0.78   1.201% *  0.0726% (0.10   1.0   0.02   0.02) =   0.004%
          HB2   GLN   17 - HN    PHE   60  15.93 +/- 2.61   0.386% *  0.1129% (0.15   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    THR  118  17.30 +/- 3.49   0.288% *  0.1471% (0.20   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLU-  15  22.56 +/- 3.05   0.133% *  0.2610% (0.35   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    PHE   60  17.69 +/- 2.06   0.254% *  0.1129% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  22.92 +/- 2.99   0.108% *  0.2525% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLU-  15  18.53 +/- 4.27   0.326% *  0.0809% (0.11   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    THR  118  26.60 +/- 5.61   0.146% *  0.1640% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    PHE   60  22.67 +/- 4.04   0.108% *  0.2035% (0.28   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  19.95 +/- 3.61   0.213% *  0.0910% (0.12   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  23.48 +/- 3.00   0.095% *  0.1765% (0.24   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  19.76 +/- 3.73   0.184% *  0.0910% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 0.107, support = 2.05, residual support = 4.02:
          QG1   ILE   56 - HN    PHE   60   3.93 +/- 1.04  41.149% * 44.8201% (0.09   2.15   4.20) =  95.291%  kept
          HG3   PRO   93 - HN    PHE   60   9.61 +/- 3.10  11.437% *  1.6065% (0.36   0.02   0.02) =   0.949%  kept
          HB2   LEU   73 - HN    PHE   60  12.79 +/- 3.41   7.722% *  2.0287% (0.45   0.02   1.20) =   0.809%  kept
          HB2   LEU  123 - HN    GLU-  15  21.08 +/- 5.79   2.583% *  3.6067% (0.80   0.02   0.02) =   0.481%  kept
          HB2   LEU   73 - HN    GLU-  15  14.86 +/- 3.51   1.624% *  4.3469% (0.97   0.02   0.02) =   0.365%  kept
          HB3   MET   92 - HN    PHE   60  13.20 +/- 2.85   2.096% *  2.1021% (0.47   0.02   0.02) =   0.228%  kept
          HD2   LYS+ 111 - HN    PHE   60  14.23 +/- 2.68   2.135% *  2.0605% (0.46   0.02   0.02) =   0.227%  kept
          HB2   LEU  123 - HN    THR  118   9.25 +/- 0.64   4.419% *  0.9512% (0.21   0.02   0.02) =   0.217%  kept
          QD    LYS+  99 - HN    GLU-  15  18.06 +/- 3.90   0.787% *  3.6067% (0.80   0.02   0.02) =   0.147%  kept
          HD2   LYS+ 111 - HN    THR  118  11.27 +/- 1.61   2.432% *  1.1644% (0.26   0.02   0.02) =   0.146%  kept
          QD    LYS+ 106 - HN    PHE   60  15.05 +/- 2.30   1.472% *  1.7559% (0.39   0.02   0.02) =   0.134%  kept
          QD    LYS+ 106 - HN    THR  118  12.57 +/- 2.98   2.278% *  0.9922% (0.22   0.02   3.00) =   0.117%  kept
          HB2   LEU  123 - HN    PHE   60  14.19 +/- 1.03   1.118% *  1.6833% (0.37   0.02   0.02) =   0.097%
          HB2   LEU   73 - HN    THR  118  17.79 +/- 3.87   1.574% *  1.1464% (0.25   0.02   0.02) =   0.093%
          QG1   ILE   56 - HN    THR  118   8.26 +/- 0.65   5.974% *  0.2351% (0.05   0.02   0.02) =   0.073%
          HG3   PRO   93 - HN    THR  118  13.00 +/- 1.64   1.457% *  0.9078% (0.20   0.02   0.02) =   0.068%
          QD    LYS+  99 - HN    PHE   60  17.44 +/- 2.59   0.777% *  1.6833% (0.37   0.02   0.02) =   0.068%
          QD    LYS+  38 - HN    GLU-  15  16.24 +/- 4.03   1.163% *  1.0028% (0.22   0.02   0.02) =   0.060%
          QD    LYS+  99 - HN    THR  118  15.06 +/- 3.07   1.207% *  0.9512% (0.21   0.02   0.02) =   0.059%
          HB3   MET   92 - HN    THR  118  15.22 +/- 1.63   0.913% *  1.1879% (0.26   0.02   0.02) =   0.056%
          QD    LYS+ 106 - HN    GLU-  15  23.78 +/- 2.18   0.263% *  3.7622% (0.84   0.02   0.02) =   0.051%
          QD    LYS+ 102 - HN    GLU-  15  23.21 +/- 4.35   0.341% *  2.5501% (0.57   0.02   0.02) =   0.045%
          QD    LYS+  38 - HN    THR  118  19.71 +/- 4.67   2.622% *  0.2645% (0.06   0.02   0.02) =   0.036%
          HD2   LYS+ 111 - HN    GLU-  15  29.96 +/- 3.24   0.154% *  4.4150% (0.98   0.02   0.02) =   0.035%
          HG3   PRO   93 - HN    GLU-  15  25.91 +/- 2.20   0.197% *  3.4422% (0.76   0.02   0.02) =   0.035%
          HB3   MET   92 - HN    GLU-  15  28.29 +/- 2.09   0.149% *  4.5042% (1.00   0.02   0.02) =   0.035%
          QD    LYS+ 102 - HN    PHE   60  21.13 +/- 2.29   0.424% *  1.1901% (0.26   0.02   0.02) =   0.026%
          QD    LYS+ 102 - HN    THR  118  18.75 +/- 3.32   0.645% *  0.6725% (0.15   0.02   0.02) =   0.022%
          QG1   ILE   56 - HN    GLU-  15  20.32 +/- 2.55   0.360% *  0.8914% (0.20   0.02   0.02) =   0.017%
          QD    LYS+  38 - HN    PHE   60  20.47 +/- 2.82   0.527% *  0.4680% (0.10   0.02   0.02) =   0.013%
    Distance limit 4.32 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.249, support = 2.62, residual support = 40.6:
          QB    ALA   61 - HN    PHE   60   4.27 +/- 0.23  31.083% * 72.7468% (0.25   2.69  41.55) =  97.681%  kept
          HG12  ILE   19 - HN    GLU-  15   8.77 +/- 1.64   5.912% *  1.8421% (0.84   0.02   0.02) =   0.470%  kept
          QB    ALA   12 - HN    GLU-  15   7.34 +/- 1.22   8.314% *  0.8277% (0.38   0.02   0.02) =   0.297%  kept
          HB3   LYS+  74 - HN    PHE   60  10.83 +/- 3.49   6.777% *  0.9231% (0.42   0.02   0.02) =   0.270%  kept
          HD3   LYS+ 121 - HN    THR  118   7.11 +/- 1.76  11.144% *  0.5369% (0.24   0.02   7.11) =   0.258%  kept
          QB    ALA  110 - HN    PHE   60  11.17 +/- 3.01   5.630% *  0.7866% (0.36   0.02   0.02) =   0.191%  kept
          HD3   LYS+ 121 - HN    GLU-  15  21.44 +/- 6.20   1.508% *  2.0359% (0.92   0.02   0.02) =   0.133%  kept
          HB3   LYS+  74 - HN    GLU-  15  15.23 +/- 2.76   0.872% *  1.9779% (0.90   0.02   0.02) =   0.075%
          QB    ALA  110 - HN    THR  118   9.92 +/- 1.60   3.341% *  0.4445% (0.20   0.02   0.02) =   0.064%
          HB3   LEU   67 - HN    GLU-  15  13.71 +/- 3.79   1.560% *  0.8277% (0.38   0.02   0.02) =   0.056%
          QB    ALA   61 - HN    GLU-  15  14.46 +/- 2.34   1.035% *  1.1603% (0.53   0.02   0.02) =   0.052%
          QG    LYS+  66 - HN    PHE   60   9.52 +/- 1.62   4.265% *  0.2292% (0.10   0.02   0.02) =   0.042%
          HD3   LYS+ 121 - HN    PHE   60  14.13 +/- 1.58   0.982% *  0.9502% (0.43   0.02   0.02) =   0.040%
          HB3   LEU   67 - HN    PHE   60  11.14 +/- 1.94   2.400% *  0.3863% (0.18   0.02   0.02) =   0.040%
          QG    LYS+  66 - HN    GLU-  15  14.32 +/- 3.65   1.519% *  0.4910% (0.22   0.02   0.02) =   0.032%
          HG12  ILE   19 - HN    PHE   60  15.20 +/- 2.49   0.860% *  0.8597% (0.39   0.02   0.02) =   0.032%
          QB    LEU   98 - HN    GLU-  15  18.46 +/- 2.34   0.453% *  1.4267% (0.65   0.02   0.02) =   0.028%
          HB2   LEU   80 - HN    PHE   60  18.53 +/- 3.11   0.552% *  1.0202% (0.46   0.02   0.02) =   0.024%
          QB    ALA   61 - HN    THR  118  11.59 +/- 1.24   1.770% *  0.3060% (0.14   0.02   0.02) =   0.023%
          HB2   LEU   80 - HN    GLU-  15  24.48 +/- 5.21   0.242% *  2.1859% (0.99   0.02   0.02) =   0.023%
          QB    LEU   98 - HN    PHE   60  15.35 +/- 1.57   0.714% *  0.6659% (0.30   0.02   0.02) =   0.021%
          HG    LEU   80 - HN    GLU-  15  24.54 +/- 6.04   0.264% *  1.6015% (0.73   0.02   0.02) =   0.018%
          HG    LEU   80 - HN    PHE   60  19.38 +/- 3.93   0.519% *  0.7474% (0.34   0.02   0.02) =   0.017%
          QB    LEU   98 - HN    THR  118  14.45 +/- 2.70   1.018% *  0.3763% (0.17   0.02   0.02) =   0.017%
          QG    LYS+  66 - HN    THR  118  12.78 +/- 3.23   2.829% *  0.1295% (0.06   0.02   0.02) =   0.016%
          HB3   LYS+  74 - HN    THR  118  16.89 +/- 3.21   0.684% *  0.5216% (0.24   0.02   0.02) =   0.015%
          HB3   LEU   67 - HN    THR  118  14.27 +/- 3.52   1.552% *  0.2183% (0.10   0.02   0.02) =   0.015%
          QB    ALA  110 - HN    GLU-  15  24.67 +/- 2.57   0.183% *  1.6854% (0.76   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    THR  118  18.53 +/- 3.32   0.585% *  0.4858% (0.22   0.02   0.02) =   0.012%
          QB    ALA   12 - HN    PHE   60  20.54 +/- 4.57   0.583% *  0.3863% (0.18   0.02   0.02) =   0.010%
          HB2   LEU   80 - HN    THR  118  23.38 +/- 3.57   0.245% *  0.5765% (0.26   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    THR  118  24.14 +/- 4.49   0.234% *  0.4224% (0.19   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    THR  118  23.28 +/- 4.63   0.373% *  0.2183% (0.10   0.02   0.02) =   0.004%
    Distance limit 4.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.68, residual support = 25.0:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.06  82.575% * 97.8418% (0.89  10.0   3.69  25.06) =  99.908%  kept
          QG2   THR   77 - HN    LEU   80   5.88 +/- 1.13   4.605% *  1.4673% (0.20   1.0   1.35   0.59) =   0.084%
          QG2   THR   23 - HN    LEU   80  13.31 +/- 6.56   2.162% *  0.0969% (0.89   1.0   0.02   0.51) =   0.003%
          QG2   THR   39 - HN    ALA   34   6.58 +/- 1.53   5.392% *  0.0303% (0.28   1.0   0.02   5.25) =   0.002%
          QG2   ILE   56 - HN    LEU   80  15.94 +/- 4.08   2.281% *  0.0710% (0.65   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ALA   34   9.49 +/- 0.54   0.847% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.62 +/- 1.28   0.391% *  0.1081% (0.99   1.0   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    LEU   80  16.94 +/- 3.72   0.261% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  10.66 +/- 1.61   0.842% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.27 +/- 2.45   0.100% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.24 +/- 2.60   0.276% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.42 +/- 2.33   0.136% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.37 +/- 3.93   0.053% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.59 +/- 2.29   0.080% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.561, support = 3.54, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.74 +/- 0.02  70.931% * 75.6432% (0.56  10.0   3.49  25.06) =  95.218%  kept
          HA    LYS+  81 - HN    LEU   80   4.62 +/- 0.27  15.279% * 15.6790% (0.47   1.0   4.98  40.65) =   4.251%  kept
          HA    GLU-  36 - HN    ALA   34   7.02 +/- 0.13   4.229% *  4.5081% (0.41   1.0   1.64   0.36) =   0.338%  kept
          HA    ASN   28 - HN    ALA   34   7.62 +/- 0.39   3.375% *  3.0668% (0.76   1.0   0.60   0.02) =   0.184%  kept
          HA    ARG+  54 - HN    LEU   80  18.28 +/- 4.11   0.870% *  0.1173% (0.88   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   34  12.79 +/- 4.74   2.007% *  0.0501% (0.37   1.0   0.02   0.02) =   0.002%
          HA    ALA  124 - HN    ALA   34  22.56 +/- 6.22   0.714% *  0.1233% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  16.77 +/- 5.81   0.805% *  0.0915% (0.68   1.0   0.02   1.20) =   0.001%
          HA    LEU  115 - HN    ALA   34  20.76 +/- 3.46   0.253% *  0.0970% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.48 +/- 2.74   0.267% *  0.0869% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.89 +/- 3.62   0.106% *  0.1310% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.92 +/- 4.35   0.205% *  0.0678% (0.51   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.05 +/- 5.77   0.282% *  0.0449% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.28 +/- 4.93   0.155% *  0.0703% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.75 +/- 3.72   0.068% *  0.1105% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  23.99 +/- 4.18   0.195% *  0.0333% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.96 +/- 4.76   0.124% *  0.0492% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 2.72   0.134% *  0.0298% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.96, support = 7.08, residual support = 38.6:
      O   HA    LYS+  33 - HN    ALA   34   3.57 +/- 0.03  38.911% * 80.8355% (0.99  10.0   7.35  41.49) =  93.058%  kept
          HA    GLN   32 - HN    ALA   34   4.38 +/- 0.35  22.130% *  6.4753% (0.34   1.0   4.66   0.66) =   4.240%  kept
          HA    GLU-  29 - HN    ALA   34   6.37 +/- 0.82   8.950% *  8.5595% (0.99   1.0   2.12   0.36) =   2.267%  kept
          HB2   SER   82 - HN    LEU   80   7.03 +/- 0.74   5.722% *  1.9123% (0.85   1.0   0.55   0.49) =   0.324%  kept
          HA    VAL   18 - HN    ALA   34  11.89 +/- 1.78   1.747% *  1.3751% (0.98   1.0   0.34   0.02) =   0.071%
          HB2   SER   37 - HN    ALA   34   6.25 +/- 1.02   9.412% *  0.0811% (0.17   1.0   0.11   0.25) =   0.023%
          HA    SER   48 - HN    LEU   80  10.95 +/- 3.92   6.233% *  0.0443% (0.54   1.0   0.02   0.02) =   0.008%
          HA    VAL   70 - HN    ALA   34  11.06 +/- 1.87   1.714% *  0.0653% (0.80   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    LEU   80  11.30 +/- 0.92   1.315% *  0.0274% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  20.47 +/- 6.09   0.447% *  0.0724% (0.89   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LEU   80  19.14 +/- 6.76   0.401% *  0.0716% (0.88   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  24.19 +/- 7.27   0.306% *  0.0771% (0.94   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  23.77 +/- 5.36   0.238% *  0.0724% (0.89   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  22.73 +/- 3.45   0.294% *  0.0585% (0.72   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  22.35 +/- 3.44   0.224% *  0.0653% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.96 +/- 5.64   0.560% *  0.0249% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  20.25 +/- 1.67   0.237% *  0.0585% (0.72   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.34 +/- 3.86   0.630% *  0.0145% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.29 +/- 2.92   0.135% *  0.0495% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  26.77 +/- 5.14   0.130% *  0.0306% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.00 +/- 3.41   0.165% *  0.0128% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.85 +/- 3.07   0.098% *  0.0161% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.755, support = 5.55, residual support = 40.3:
          HG3   LYS+  33 - HN    ALA   34   2.93 +/- 0.69  61.813% * 83.4569% (0.76   5.70  41.49) =  97.005%  kept
          QB    ALA   84 - HN    LEU   80   5.04 +/- 0.63  15.022% * 10.2796% (0.54   0.99   0.02) =   2.904%  kept
          HG3   LYS+  65 - HN    ALA   34  17.77 +/- 4.26   1.647% *  0.3202% (0.83   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    ALA   34  12.19 +/- 2.52   1.436% *  0.3438% (0.89   0.02   0.02) =   0.009%
          HG    LEU   98 - HN    ALA   34  11.71 +/- 3.13   2.587% *  0.1866% (0.49   0.02   0.02) =   0.009%
          HB    VAL   42 - HN    ALA   34  12.11 +/- 1.39   1.488% *  0.3202% (0.83   0.02   0.02) =   0.009%
          HB3   LEU   73 - HN    LEU   80  12.90 +/- 2.19   1.532% *  0.3080% (0.80   0.02   0.02) =   0.009%
          HG3   LYS+ 102 - HN    ALA   34  16.37 +/- 4.33   0.704% *  0.3539% (0.92   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    ALA   34  10.63 +/- 2.94   2.852% *  0.0671% (0.17   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LEU   80  14.78 +/- 1.70   0.854% *  0.2221% (0.58   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   80  19.29 +/- 3.71   0.495% *  0.3426% (0.89   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   80  18.05 +/- 2.71   0.544% *  0.2868% (0.75   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    ALA   34  13.66 +/- 3.22   0.972% *  0.1439% (0.37   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   34  18.39 +/- 2.11   0.363% *  0.3825% (1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  17.40 +/- 2.43   0.456% *  0.2868% (0.75   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   80  21.72 +/- 3.72   0.355% *  0.3314% (0.86   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ALA   34  19.90 +/- 5.19   0.746% *  0.1439% (0.37   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  12.75 +/- 2.33   1.224% *  0.0856% (0.22   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   80  23.91 +/- 4.93   0.274% *  0.3170% (0.82   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   80  18.02 +/- 4.11   0.519% *  0.1671% (0.44   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    LEU   80  21.93 +/- 5.21   0.328% *  0.2624% (0.68   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ALA   34  20.39 +/- 4.03   0.358% *  0.2325% (0.61   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    ALA   34  25.77 +/- 3.36   0.153% *  0.3700% (0.96   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.28 +/- 2.17   0.223% *  0.2480% (0.65   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.77 +/- 1.49   0.503% *  0.0956% (0.25   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  16.09 +/- 3.55   0.796% *  0.0601% (0.16   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  16.59 +/- 2.53   0.658% *  0.0671% (0.17   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  16.99 +/- 3.39   0.673% *  0.0601% (0.16   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  22.63 +/- 3.57   0.293% *  0.1289% (0.34   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  26.60 +/- 3.16   0.132% *  0.1289% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.729, support = 5.4, residual support = 38.5:
          QB    LYS+  33 - HN    ALA   34   3.29 +/- 0.38  54.495% * 43.8042% (0.72   5.93  41.49) =  75.109%  kept
          QB    LYS+  81 - HN    LEU   80   5.14 +/- 0.46  15.331% * 34.9740% (0.78   4.42  40.65) =  16.871%  kept
          HB3   GLN   30 - HN    ALA   34   5.48 +/- 0.71  13.844% * 18.2472% (0.69   2.61   6.35) =   7.948%  kept
          HB3   LYS+  38 - HN    ALA   34   8.98 +/- 0.61   3.140% *  0.1766% (0.87   0.02   0.02) =   0.017%
          HB    ILE   56 - HN    LEU   80  19.85 +/- 4.51   2.558% *  0.1760% (0.86   0.02   0.02) =   0.014%
          HB3   GLN   90 - HN    LEU   80  12.80 +/- 1.86   1.295% *  0.1460% (0.72   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    LEU   80  14.76 +/- 3.01   1.847% *  0.0959% (0.47   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    LEU   80  17.03 +/- 5.43   0.904% *  0.1252% (0.61   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    ALA   34  16.34 +/- 3.26   1.029% *  0.0991% (0.49   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU   80  17.27 +/- 2.68   0.481% *  0.1635% (0.80   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  16.30 +/- 3.29   0.707% *  0.1071% (0.52   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.93 +/- 1.73   0.398% *  0.1826% (0.89   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  19.24 +/- 4.01   0.583% *  0.1032% (0.51   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.80 +/- 2.15   0.428% *  0.1235% (0.61   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  20.24 +/- 4.92   0.386% *  0.1324% (0.65   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  22.71 +/- 4.54   0.241% *  0.1766% (0.87   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LEU   80  20.21 +/- 4.32   0.370% *  0.0959% (0.47   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.96 +/- 3.86   0.561% *  0.0622% (0.30   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.30 +/- 3.22   0.169% *  0.1965% (0.96   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  25.39 +/- 3.65   0.151% *  0.1582% (0.78   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  22.40 +/- 2.62   0.207% *  0.1106% (0.54   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.89 +/- 3.31   0.230% *  0.0888% (0.44   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  23.12 +/- 3.88   0.271% *  0.0694% (0.34   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  27.96 +/- 3.89   0.113% *  0.1630% (0.80   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.46 +/- 3.68   0.133% *  0.1153% (0.56   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.86 +/- 2.24   0.129% *  0.1071% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 7.12, residual support = 78.5:
      O   HA    LEU   80 - HN    LEU   80   2.83 +/- 0.22  65.698% * 75.3942% (0.50  10.0   7.51  85.32) =  91.394%  kept
          HA    ASP-  78 - HN    LEU   80   4.51 +/- 0.81  20.274% * 22.1694% (0.94   1.0   3.10   6.27) =   8.293%  kept
          HA    THR   23 - HN    LEU   80  13.71 +/- 7.77   8.289% *  2.0056% (0.85   1.0   0.31   0.51) =   0.307%  kept
          HB    THR   23 - HN    LEU   80  15.50 +/- 7.47   3.752% *  0.0538% (0.36   1.0   0.02   0.51) =   0.004%
          HA    THR   23 - HN    ALA   34  14.92 +/- 1.10   0.497% *  0.1063% (0.70   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    ALA   34  23.42 +/- 4.09   0.261% *  0.1182% (0.78   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.78 +/- 1.34   0.533% *  0.0445% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  21.87 +/- 6.09   0.266% *  0.0623% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.91 +/- 2.17   0.257% *  0.0208% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  22.56 +/- 3.06   0.172% *  0.0251% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.754, support = 5.57, residual support = 48.4:
      O   HA    GLU-  79 - HN    LEU   80   3.52 +/- 0.27  64.673% * 96.4442% (0.76  10.0   5.60  48.76) =  99.310%  kept
          HB    THR   77 - HN    LEU   80   6.25 +/- 1.43  16.831% *  2.5073% (0.29   1.0   1.35   0.59) =   0.672%  kept
          HA    THR   39 - HN    ALA   34   8.28 +/- 1.01   5.937% *  0.0864% (0.68   1.0   0.02   5.25) =   0.008%
          HA    SER   85 - HN    LEU   80  10.24 +/- 0.80   2.987% *  0.0372% (0.29   1.0   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    LEU   80  17.71 +/- 3.44   0.806% *  0.1181% (0.93   1.0   0.02   0.02) =   0.002%
          HA1   GLY   51 - HN    LEU   80  18.01 +/- 3.64   0.732% *  0.1139% (0.89   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   34  21.27 +/- 4.28   0.698% *  0.0797% (0.63   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  14.47 +/- 2.83   1.358% *  0.0409% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  12.70 +/- 1.89   1.758% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  22.37 +/- 3.41   0.350% *  0.0976% (0.77   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU   80  22.84 +/- 2.33   0.269% *  0.1045% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  20.05 +/- 4.05   0.563% *  0.0495% (0.39   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.73 +/- 1.31   0.656% *  0.0248% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.69 +/- 3.42   0.517% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  18.70 +/- 4.50   0.715% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.43 +/- 3.72   0.152% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  23.52 +/- 4.28   0.391% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  25.83 +/- 3.12   0.241% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  26.90 +/- 5.80   0.214% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.11 +/- 4.25   0.154% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.781, support = 5.3, residual support = 42.4:
          HB3   GLU-  79 - HN    LEU   80   3.50 +/- 0.60  56.534% * 58.4773% (0.79   5.86  48.76) =  86.835%  kept
          QB    GLU-  36 - HN    ALA   34   5.26 +/- 0.37  19.775% * 13.7171% (0.70   1.55   0.36) =   7.125%  kept
          HB3   GLU-  29 - HN    ALA   34   7.23 +/- 1.12  11.131% * 17.1630% (0.78   1.74   0.36) =   5.018%  kept
          HG3   GLU-  29 - HN    ALA   34   9.13 +/- 0.93   4.073% *  9.3057% (0.60   1.23   0.36) =   0.996%  kept
          HB2   GLN   90 - HN    LEU   80  13.07 +/- 1.96   1.518% *  0.2204% (0.87   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    ALA   34   8.50 +/- 0.67   4.905% *  0.0609% (0.24   0.02   0.02) =   0.008%
          HB3   GLU-  29 - HN    LEU   80  20.92 +/- 6.12   0.477% *  0.2382% (0.94   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    LEU   80  20.45 +/- 6.63   0.556% *  0.1825% (0.72   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  19.78 +/- 3.98   0.457% *  0.1649% (0.65   0.02   0.02) =   0.002%
          QB    GLU-  36 - HN    LEU   80  23.20 +/- 4.38   0.270% *  0.2141% (0.85   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    ALA   34  28.61 +/- 3.91   0.127% *  0.1822% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  26.03 +/- 3.76   0.176% *  0.0737% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.83, residual support = 21.4:
        T HN    ASN   35 - HN    ALA   34   2.76 +/- 0.04  97.264% * 98.7794% (0.80 10.00   4.83  21.39) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  22.84 +/- 5.01   0.362% *  0.8847% (0.72 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  17.22 +/- 4.19   0.599% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    ALA   34  15.54 +/- 2.05   0.636% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  27.96 +/- 4.04   0.129% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.90 +/- 2.95   0.470% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.16 +/- 2.68   0.299% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  22.79 +/- 3.36   0.240% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.27, residual support = 40.6:
          HN    LYS+  81 - HN    LEU   80   3.59 +/- 0.50  78.548% * 94.9845% (0.89   5.29  40.65) =  99.727%  kept
          HE3   TRP   27 - HN    LEU   80  13.95 +/- 5.72   5.098% *  3.5457% (0.20   0.88   7.34) =   0.242%  kept
          HE3   TRP   27 - HN    ALA   34   8.33 +/- 1.28   8.707% *  0.0895% (0.22   0.02   0.02) =   0.010%
          QD    PHE   60 - HN    LEU   80  13.66 +/- 2.82   2.063% *  0.2884% (0.72   0.02   0.02) =   0.008%
          QD    PHE   60 - HN    ALA   34  16.25 +/- 2.46   1.301% *  0.3220% (0.80   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   34  23.50 +/- 5.46   0.467% *  0.4012% (1.00   0.02   0.02) =   0.003%
          HN    LYS+  66 - HN    ALA   34  17.00 +/- 2.73   1.242% *  0.1241% (0.31   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    LEU   80  19.29 +/- 3.90   1.458% *  0.0631% (0.16   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    LEU   80  18.45 +/- 2.66   0.789% *  0.1112% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  24.78 +/- 2.75   0.325% *  0.0704% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.758, support = 3.11, residual support = 5.61:
          HA    GLN   30 - HN    ALA   34   3.85 +/- 1.00  45.898% * 56.2676% (0.80   3.52   6.35) =  81.208%  kept
          HB    THR   39 - HN    ALA   34   6.99 +/- 1.82  13.747% * 18.1614% (0.61   1.50   5.25) =   7.851%  kept
          HB3   SER   37 - HN    ALA   34   6.08 +/- 1.10  17.665% * 13.5178% (0.45   1.51   0.25) =   7.509%  kept
          HB3   SER   82 - HN    LEU   80   6.89 +/- 0.60  11.711% *  9.1349% (0.82   0.55   0.49) =   3.364%  kept
          HA    ILE   89 - HN    LEU   80  11.35 +/- 1.53   2.708% *  0.1603% (0.40   0.02   0.02) =   0.014%
          QB    SER   13 - HN    ALA   34  13.72 +/- 3.60   1.482% *  0.2583% (0.65   0.02   0.02) =   0.012%
          HD3   PRO   52 - HN    LEU   80  17.54 +/- 3.88   0.938% *  0.3102% (0.78   0.02   0.02) =   0.009%
          HB2   CYS   53 - HN    LEU   80  15.14 +/- 3.86   1.971% *  0.1342% (0.34   0.02   0.02) =   0.008%
          HA    GLN   30 - HN    LEU   80  19.64 +/- 5.53   0.779% *  0.2863% (0.72   0.02   0.02) =   0.007%
          HB3   SER   82 - HN    ALA   34  24.08 +/- 7.28   0.515% *  0.3685% (0.92   0.02   0.02) =   0.006%
          QB    SER   13 - HN    LEU   80  23.63 +/- 4.83   0.371% *  0.2313% (0.58   0.02   0.02) =   0.003%
          HB    THR   39 - HN    LEU   80  22.15 +/- 2.92   0.327% *  0.2169% (0.54   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    ALA   34  29.27 +/- 3.22   0.149% *  0.3463% (0.87   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    ALA   34  25.44 +/- 5.33   0.257% *  0.1790% (0.45   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    LEU   80  24.20 +/- 3.71   0.278% *  0.1603% (0.40   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ALA   34  24.87 +/- 2.56   0.241% *  0.1498% (0.37   0.02   0.02) =   0.001%
          HB    THR  118 - HN    ALA   34  19.93 +/- 3.62   0.473% *  0.0616% (0.15   0.02   0.02) =   0.001%
          HB    THR  118 - HN    LEU   80  21.31 +/- 2.89   0.488% *  0.0552% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 3.08, residual support = 11.1:
          HA    LEU   31 - HN    ALA   34   3.41 +/- 0.51  58.152% * 83.4764% (0.76   3.23  11.76) =  94.471%  kept
          HA    THR   77 - HN    LEU   80   4.46 +/- 1.47  40.500% *  6.8178% (0.34   0.60   0.59) =   5.374%  kept
          HA    LEU   31 - HN    LEU   80  18.61 +/- 4.89   0.828% *  9.4516% (0.68   0.41   0.02) =   0.152%  kept
          HA    THR   77 - HN    ALA   34  20.13 +/- 3.58   0.520% *  0.2542% (0.37   0.02   0.02) =   0.003%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.394, support = 3.02, residual support = 6.17:
          HA    ASP-  78 - HN    LEU   80   4.51 +/- 0.81  56.012% * 86.8487% (0.40   3.10   6.27) =  96.938%  kept
          HA    THR   23 - HN    LEU   80  13.71 +/- 7.77  23.774% *  3.8584% (0.18   0.31   0.51) =   1.828%  kept
          HA    VAL   41 - HN    ALA   34   8.81 +/- 1.86   8.395% *  6.3562% (0.17   0.52   7.84) =   1.063%  kept
          HA    PHE   45 - HN    LEU   80   9.42 +/- 1.65   7.539% *  0.8582% (0.61   0.02   0.02) =   0.129%  kept
          HA    PHE   45 - HN    ALA   34  18.48 +/- 2.08   0.939% *  0.9582% (0.69   0.02   0.02) =   0.018%
          HA    ASP-  78 - HN    ALA   34  23.42 +/- 4.09   0.892% *  0.6254% (0.45   0.02   0.02) =   0.011%
          HA    THR   23 - HN    ALA   34  14.92 +/- 1.10   1.425% *  0.2761% (0.20   0.02   0.02) =   0.008%
          HA    VAL   41 - HN    LEU   80  17.56 +/- 2.60   1.024% *  0.2188% (0.16   0.02   0.02) =   0.004%
    Distance limit 4.08 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.702, support = 4.52, residual support = 19.4:
          QE    LYS+  33 - HN    ALA   34   4.51 +/- 0.81  30.949% * 32.6603% (0.52   5.73  41.49) =  40.511%  kept
          HB2   ASP-  78 - HN    LEU   80   5.25 +/- 0.87  22.528% * 40.5830% (0.88   4.27   6.27) =  36.641%  kept
          HB2   ASP-  76 - HN    LEU   80   4.99 +/- 0.84  24.238% * 23.0539% (0.75   2.84   1.24) =  22.394%  kept
          HB2   ASN   28 - HN    ALA   34   9.28 +/- 0.66   3.690% *  2.6594% (0.41   0.60   0.02) =   0.393%  kept
          QE    LYS+  65 - HN    ALA   34  17.33 +/- 4.28   6.988% *  0.0603% (0.28   0.02   0.02) =   0.017%
          HB2   ASP-  78 - HN    ALA   34  22.91 +/- 4.43   1.213% *  0.2124% (0.98   0.02   0.02) =   0.010%
          HB2   ASN   69 - HN    ALA   34  13.98 +/- 2.31   1.536% *  0.1574% (0.72   0.02   0.02) =   0.010%
          HB2   ASP-  76 - HN    ALA   34  19.02 +/- 3.60   1.239% *  0.1810% (0.83   0.02   0.02) =   0.009%
          HB2   ASN   28 - HN    LEU   80  17.82 +/- 6.14   1.395% *  0.0798% (0.37   0.02   1.20) =   0.004%
          HB2   ASP-  86 - HN    LEU   80   9.19 +/- 1.27   4.217% *  0.0263% (0.12   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    LEU   80  20.47 +/- 4.82   0.541% *  0.1021% (0.47   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    LEU   80  16.80 +/- 2.76   0.740% *  0.0540% (0.25   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.70 +/- 2.61   0.228% *  0.1409% (0.65   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  23.47 +/- 7.44   0.499% *  0.0293% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 5.64, residual support = 48.2:
          HB2   GLU-  79 - HN    LEU   80   2.78 +/- 0.40  84.487% * 86.3953% (0.44   5.70  48.76) =  98.793%  kept
          HG3   GLU-  36 - HN    ALA   34   6.93 +/- 1.08   9.490% *  9.1307% (0.34   0.77   0.36) =   1.173%  kept
          HG3   GLU-  25 - HN    LEU   80  18.87 +/- 6.71   1.314% *  0.6107% (0.88   0.02   0.02) =   0.011%
          HG3   GLU-  25 - HN    ALA   34  14.63 +/- 0.98   0.702% *  0.6818% (0.98   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    LEU   80  16.92 +/- 4.22   0.775% *  0.5404% (0.78   0.02   0.02) =   0.006%
          HG2   MET   92 - HN    LEU   80  15.30 +/- 2.50   0.945% *  0.2125% (0.30   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HN    ALA   34  19.75 +/- 4.46   0.497% *  0.3386% (0.49   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  20.75 +/- 3.94   0.514% *  0.2338% (0.34   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    LEU   80  19.55 +/- 2.98   0.370% *  0.2561% (0.37   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  20.92 +/- 3.02   0.279% *  0.2860% (0.41   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  28.11 +/- 3.12   0.105% *  0.6033% (0.87   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.71 +/- 3.67   0.220% *  0.2611% (0.37   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  26.86 +/- 4.91   0.182% *  0.2125% (0.30   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  26.91 +/- 2.24   0.120% *  0.2373% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.734, support = 5.23, residual support = 40.7:
          HB3   GLU-  79 - HN    LEU   80   3.50 +/- 0.60  40.360% * 59.3932% (0.78   5.86  48.76) =  83.253%  kept
          QB    GLU-  36 - HN    ALA   34   5.26 +/- 0.37  14.038% * 16.1744% (0.80   1.55   0.36) =   7.886%  kept
          QB    GLN   32 - HN    ALA   34   4.75 +/- 0.26  18.583% *  7.5771% (0.17   3.32   0.66) =   4.890%  kept
          HB3   GLU-  29 - HN    ALA   34   7.23 +/- 1.12   8.041% * 11.0574% (0.49   1.74   0.36) =   3.088%  kept
          HB    VAL   24 - HN    LEU   80  12.59 +/- 6.80   8.546% *  1.9220% (0.20   0.74   4.40) =   0.570%  kept
          HG3   GLU-  29 - HN    ALA   34   9.13 +/- 0.93   2.912% *  2.8163% (0.17   1.23   0.36) =   0.285%  kept
          HG3   GLU- 100 - HN    ALA   34  11.11 +/- 3.20   3.782% *  0.1269% (0.49   0.02   0.02) =   0.017%
          HB2   GLN   90 - HN    LEU   80  13.07 +/- 1.96   1.073% *  0.0721% (0.28   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  19.78 +/- 3.98   0.327% *  0.2261% (0.87   0.02   0.02) =   0.003%
          HB    VAL   24 - HN    ALA   34  13.96 +/- 0.58   0.727% *  0.0580% (0.22   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LEU   80  20.92 +/- 6.12   0.338% *  0.1137% (0.44   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.20 +/- 4.38   0.194% *  0.1870% (0.72   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  24.71 +/- 3.89   0.164% *  0.1137% (0.44   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  19.65 +/- 5.38   0.432% *  0.0409% (0.16   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  20.45 +/- 6.63   0.393% *  0.0409% (0.16   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  28.61 +/- 3.91   0.090% *  0.0805% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.691, support = 0.149, residual support = 0.284:
          QG1   VAL   75 - HN    LEU   80   6.41 +/- 1.14  71.958% * 68.0482% (0.68   0.16   0.30) =  94.363%  kept
          QD1   LEU  115 - HN    LEU   80  15.91 +/- 2.81  11.497% * 10.5078% (0.82   0.02   0.02) =   2.328%  kept
          QG1   VAL   75 - HN    ALA   34  13.87 +/- 2.60  11.086% *  9.7124% (0.76   0.02   0.02) =   2.075%  kept
          QD1   LEU  115 - HN    ALA   34  18.04 +/- 2.49   5.459% * 11.7317% (0.92   0.02   0.02) =   1.234%  kept
    Distance limit 4.64 A violated in 10 structures by 1.71 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 = 0.34, support = 6.47, residual support = 82.3:
          QD2   LEU   80 - HN    LEU   80   3.34 +/- 0.77  41.506% * 55.7930% (0.40   6.40  85.32) =  70.198%  kept
          QD1   LEU   80 - HN    LEU   80   3.74 +/- 0.92  30.027% * 28.4475% (0.18   7.39  85.32) =  25.893%  kept
          QG2   VAL   41 - HN    ALA   34   6.50 +/- 2.41  10.004% * 12.4629% (0.34   1.68   7.84) =   3.779%  kept
          QD1   LEU   73 - HN    ALA   34   9.08 +/- 2.95   3.023% *  0.3628% (0.83   0.02   0.02) =   0.033%
          QD1   LEU   63 - HN    ALA   34  13.51 +/- 2.47   1.622% *  0.3628% (0.83   0.02   0.02) =   0.018%
          QD1   LEU   73 - HN    LEU   80  11.46 +/- 2.60   1.552% *  0.3250% (0.75   0.02   0.02) =   0.015%
          QD2   LEU   63 - HN    ALA   34  13.42 +/- 2.14   1.214% *  0.3896% (0.89   0.02   0.02) =   0.014%
          QD2   LEU   63 - HN    LEU   80  14.88 +/- 3.35   0.782% *  0.3489% (0.80   0.02   0.02) =   0.008%
          QD2   LEU   98 - HN    ALA   34   9.60 +/- 3.04   3.037% *  0.0860% (0.20   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   80  14.30 +/- 3.55   0.723% *  0.3250% (0.75   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    ALA   34  16.59 +/- 5.85   0.968% *  0.1947% (0.45   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    ALA   34  12.18 +/- 2.28   1.596% *  0.1083% (0.25   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    LEU   80  14.21 +/- 2.91   0.967% *  0.1327% (0.30   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LEU   80  16.89 +/- 2.72   0.516% *  0.1894% (0.44   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  17.89 +/- 2.96   0.399% *  0.2114% (0.49   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    LEU   80  14.49 +/- 3.48   0.984% *  0.0770% (0.18   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ALA   34  18.03 +/- 6.22   0.807% *  0.0860% (0.20   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  19.77 +/- 2.78   0.274% *  0.0970% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.04 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 = 0.719, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.36 +/- 4.23  20.735% * 31.5414% (1.00   0.02   0.02) =  39.764%  kept
          QD2   LEU  123 - HN    LEU   80  24.06 +/- 3.96  12.564% * 28.2508% (0.89   0.02   0.02) =  21.581%  kept
          HG3   LYS+ 121 - HN    ALA   34  20.41 +/- 5.35  18.141% * 14.1725% (0.45   0.02   0.02) =  15.632%  kept
          HB3   LEU  104 - HN    ALA   34  16.11 +/- 2.54  29.212% *  7.0378% (0.22   0.02   0.02) =  12.500%  kept
          HG3   LYS+ 121 - HN    LEU   80  25.69 +/- 3.39   8.001% * 12.6939% (0.40   0.02   0.02) =   6.175%  kept
          HB3   LEU  104 - HN    LEU   80  23.60 +/- 3.19  11.346% *  6.3036% (0.20   0.02   0.02) =   4.349%  kept
    Distance limit 4.46 A violated in 20 structures by 8.87 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.765, support = 5.49, residual support = 40.0:
          QB    LYS+  33 - HN    ALA   34   3.29 +/- 0.38  54.495% * 45.2827% (0.74   5.93  41.49) =  75.916%  kept
          QB    LYS+  81 - HN    LEU   80   5.14 +/- 0.46  15.331% * 43.1081% (0.94   4.42  40.65) =  20.332%  kept
          HB3   GLN   30 - HN    ALA   34   5.48 +/- 0.71  13.844% *  8.6662% (0.32   2.61   6.35) =   3.691%  kept
          HB    ILE   56 - HN    LEU   80  19.85 +/- 4.51   2.558% *  0.1493% (0.72   0.02   0.02) =   0.012%
          HB3   LYS+  38 - HN    ALA   34   8.98 +/- 0.61   3.140% *  0.0980% (0.47   0.02   0.02) =   0.009%
          HB3   GLN   90 - HN    LEU   80  12.80 +/- 1.86   1.295% *  0.1915% (0.93   0.02   0.02) =   0.008%
          HG3   PRO   68 - HN    ALA   34  16.34 +/- 3.26   1.029% *  0.1235% (0.60   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    LEU   80  14.76 +/- 3.01   1.847% *  0.0543% (0.26   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU   80  19.24 +/- 4.01   0.583% *  0.1632% (0.79   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU   80  17.27 +/- 2.68   0.481% *  0.1954% (0.95   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  16.30 +/- 3.29   0.707% *  0.1294% (0.63   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    LEU   80  17.03 +/- 5.43   0.904% *  0.0803% (0.39   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  20.24 +/- 4.92   0.386% *  0.1848% (0.89   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.93 +/- 1.73   0.398% *  0.1615% (0.78   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.80 +/- 2.15   0.428% *  0.1401% (0.68   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  20.21 +/- 4.32   0.370% *  0.1564% (0.76   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  22.71 +/- 4.54   0.241% *  0.1612% (0.78   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  22.40 +/- 2.62   0.207% *  0.1695% (0.82   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.89 +/- 3.31   0.230% *  0.1493% (0.72   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.30 +/- 3.22   0.169% *  0.1235% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.46 +/- 3.68   0.133% *  0.1349% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  25.39 +/- 3.65   0.151% *  0.1185% (0.57   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  27.96 +/- 3.89   0.113% *  0.1583% (0.77   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.96 +/- 3.86   0.561% *  0.0301% (0.15   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  23.12 +/- 3.88   0.271% *  0.0249% (0.12   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.86 +/- 2.24   0.129% *  0.0449% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.247, support = 3.66, residual support = 24.8:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.06  87.285% * 81.6082% (0.24  10.0   3.69  25.06) =  98.822%  kept
          QG2   THR   77 - HN    LEU   80   5.88 +/- 1.13   4.861% * 17.2709% (0.76   1.0   1.35   0.59) =   1.165%  kept
          QG2   THR   23 - HN    LEU   80  13.31 +/- 6.56   2.283% *  0.2069% (0.61   1.0   0.02   0.51) =   0.007%
          QG2   ILE   56 - HN    LEU   80  15.94 +/- 4.08   2.409% *  0.0560% (0.17   1.0   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    LEU   80  11.12 +/- 1.03   0.646% *  0.1315% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.62 +/- 1.28   0.413% *  0.1710% (0.51   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.24 +/- 2.60   0.291% *  0.2117% (0.63   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.55 +/- 0.72   1.289% *  0.0408% (0.12   1.0   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    LEU   80  16.94 +/- 3.72   0.276% *  0.0987% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  23.18 +/- 4.61   0.084% *  0.1087% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.27 +/- 2.45   0.106% *  0.0463% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.06 +/- 3.67   0.057% *  0.0493% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.408, support = 6.07, residual support = 85.3:
      O   HB2   LEU   80 - HN    LEU   80   2.84 +/- 0.59  57.220% * 49.7852% (0.26  10.0   5.82  85.32) =  70.617%  kept
          HG    LEU   80 - HN    LEU   80   4.34 +/- 0.61  24.811% * 47.7057% (0.76   1.0   6.65  85.32) =  29.341%  kept
          HG    LEU   73 - HN    ALA   34  10.81 +/- 3.01   1.887% *  0.1237% (0.65   1.0   0.02   0.02) =   0.006%
          HG12  ILE   19 - HN    ALA   34   9.40 +/- 1.49   2.188% *  0.1017% (0.54   1.0   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    LEU   80  14.09 +/- 2.66   1.028% *  0.1496% (0.79   1.0   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ALA   34  14.38 +/- 1.99   0.918% *  0.1477% (0.78   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    LEU   80  13.78 +/- 2.68   0.784% *  0.1694% (0.89   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LEU   80  17.88 +/- 3.80   0.598% *  0.1728% (0.91   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ALA   34  15.75 +/- 3.00   0.728% *  0.1400% (0.74   1.0   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ALA   34  10.66 +/- 1.60   1.976% *  0.0505% (0.27   1.0   0.02   0.45) =   0.002%
          HG2   LYS+ 102 - HN    ALA   34  15.63 +/- 4.45   0.682% *  0.1075% (0.57   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ALA   34  16.97 +/- 2.84   0.462% *  0.1429% (0.75   1.0   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    LEU   80  17.38 +/- 2.90   0.408% *  0.1368% (0.72   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA   34  20.73 +/- 6.92   0.415% *  0.1185% (0.63   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   80  17.90 +/- 2.01   0.267% *  0.1787% (0.94   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   80  19.12 +/- 5.75   0.341% *  0.1230% (0.65   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  15.16 +/- 2.42   1.002% *  0.0369% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  11.50 +/- 2.09   1.253% *  0.0276% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ALA   34  14.92 +/- 1.87   0.942% *  0.0228% (0.12   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  23.66 +/- 4.62   0.146% *  0.1300% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  19.15 +/- 2.71   0.281% *  0.0611% (0.32   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.42 +/- 2.30   0.138% *  0.1131% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  20.70 +/- 6.00   0.357% *  0.0412% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  17.95 +/- 2.80   0.314% *  0.0446% (0.24   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.58 +/- 2.36   0.184% *  0.0611% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  20.47 +/- 3.31   0.205% *  0.0505% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  20.69 +/- 5.69   0.357% *  0.0259% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.46 +/- 3.19   0.107% *  0.0314% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.586, support = 2.76, residual support = 10.4:
          HG    LEU   31 - HN    ALA   34   5.86 +/- 0.43  17.215% * 71.3726% (0.51   3.69  11.76) =  68.850%  kept
          QG1   VAL   41 - HN    ALA   34   5.75 +/- 1.97  23.624% * 22.3980% (0.78   0.75   7.84) =  29.651%  kept
          QD1   ILE   19 - HN    ALA   34   7.48 +/- 1.71  10.304% *  0.6487% (0.22   0.08   0.02) =   0.375%  kept
          QG2   THR   46 - HN    LEU   80   8.21 +/- 1.92   8.835% *  0.4391% (0.57   0.02   0.02) =   0.217%  kept
          QG1   VAL   43 - HN    LEU   80  10.59 +/- 2.67   5.534% *  0.6683% (0.87   0.02   0.02) =   0.207%  kept
          QG2   VAL   18 - HN    ALA   34  11.91 +/- 2.22   7.759% *  0.4347% (0.57   0.02   0.02) =   0.189%  kept
          QD2   LEU   73 - HN    ALA   34   8.49 +/- 2.49   8.354% *  0.2914% (0.38   0.02   0.02) =   0.136%  kept
          QG1   VAL   43 - HN    ALA   34  10.83 +/- 2.33   3.328% *  0.5526% (0.72   0.02   0.02) =   0.103%  kept
          QG1   VAL   41 - HN    LEU   80  15.60 +/- 3.26   1.377% *  0.7224% (0.94   0.02   0.02) =   0.056%
          QD2   LEU   73 - HN    LEU   80  12.13 +/- 2.30   2.656% *  0.3524% (0.46   0.02   0.02) =   0.052%
          HG    LEU   31 - HN    LEU   80  16.97 +/- 5.61   1.694% *  0.4684% (0.61   0.02   0.02) =   0.044%
          QG2   VAL   18 - HN    LEU   80  15.42 +/- 6.14   1.436% *  0.5257% (0.69   0.02   0.02) =   0.042%
          QD1   ILE   56 - HN    LEU   80  16.21 +/- 3.61   2.175% *  0.1805% (0.24   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    ALA   34  17.50 +/- 2.10   0.930% *  0.3631% (0.47   0.02   0.02) =   0.019%
          QD2   LEU  104 - HN    ALA   34  12.05 +/- 2.14   2.647% *  0.1048% (0.14   0.02   0.02) =   0.016%
          QD1   ILE   19 - HN    LEU   80  16.26 +/- 4.31   0.973% *  0.2013% (0.26   0.02   0.02) =   0.011%
          QD1   ILE   56 - HN    ALA   34  19.51 +/- 2.65   0.565% *  0.1493% (0.20   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    LEU   80  19.39 +/- 3.38   0.596% *  0.1268% (0.17   0.02   0.02) =   0.004%
    Distance limit 4.52 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.39, residual support = 85.2:
          QD2   LEU   80 - HN    LEU   80   3.34 +/- 0.77  54.510% * 97.1095% (0.85   6.40  85.32) =  99.855%  kept
          QD1   LEU   73 - HN    ALA   34   9.08 +/- 2.95   7.440% *  0.2744% (0.77   0.02   0.02) =   0.039%
          QG1   VAL   83 - HN    LEU   80   5.20 +/- 0.89  22.222% *  0.0844% (0.24   0.02   0.14) =   0.035%
          QD1   LEU   73 - HN    LEU   80  11.46 +/- 2.60   3.446% *  0.3318% (0.93   0.02   0.02) =   0.022%
          QD1   LEU   63 - HN    ALA   34  13.51 +/- 2.47   1.739% *  0.2744% (0.77   0.02   0.02) =   0.009%
          QD2   LEU   80 - HN    ALA   34  16.59 +/- 5.85   1.688% *  0.2510% (0.70   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    ALA   34  12.18 +/- 2.28   2.113% *  0.1923% (0.54   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   80  14.30 +/- 3.55   1.212% *  0.3318% (0.93   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    LEU   80  16.89 +/- 2.72   0.714% *  0.3125% (0.87   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    ALA   34  13.42 +/- 2.14   1.433% *  0.1255% (0.35   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    LEU   80  14.88 +/- 3.35   1.047% *  0.1518% (0.42   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  17.89 +/- 2.96   0.532% *  0.2584% (0.72   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  17.34 +/- 5.88   1.497% *  0.0698% (0.20   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  19.77 +/- 2.78   0.406% *  0.2325% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.456, support = 0.152, residual support = 0.291:
          QG1   VAL   75 - HN    LEU   80   6.41 +/- 1.14  71.958% * 79.7587% (0.46   0.16   0.30) =  96.682%  kept
          QG1   VAL   75 - HN    ALA   34  13.87 +/- 2.60  11.086% *  8.4303% (0.38   0.02   0.02) =   1.574%  kept
          QD1   LEU  115 - HN    LEU   80  15.91 +/- 2.81  11.497% *  6.4654% (0.29   0.02   0.02) =   1.252%  kept
          QD1   LEU  115 - HN    ALA   34  18.04 +/- 2.49   5.459% *  5.3456% (0.24   0.02   0.02) =   0.492%  kept
    Distance limit 4.45 A violated in 12 structures by 1.89 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 = 0.618, support = 3.52, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.74 +/- 0.02  69.163% * 84.1747% (0.63  10.0   3.49  25.06) =  97.262%  kept
          HA    LYS+  81 - HN    LEU   80   4.62 +/- 0.27  14.899% *  9.7723% (0.29   1.0   4.98  40.65) =   2.432%  kept
          HA    ASN   28 - HN    ALA   34   7.62 +/- 0.39   3.291% *  2.9867% (0.74   1.0   0.60   0.02) =   0.164%  kept
          HA    GLU-  36 - HN    ALA   34   7.02 +/- 0.13   4.123% *  1.9208% (0.17   1.0   1.64   0.36) =   0.132%  kept
          HA1   GLY  101 - HN    ALA   34  12.79 +/- 4.74   1.957% *  0.0638% (0.47   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  16.77 +/- 5.81   0.785% *  0.1203% (0.89   1.0   0.02   1.20) =   0.002%
          HA    ARG+  54 - HN    LEU   80  18.28 +/- 4.11   0.848% *  0.1062% (0.79   1.0   0.02   0.02) =   0.002%
          HA    ALA  124 - HN    ALA   34  22.56 +/- 6.22   0.696% *  0.0763% (0.57   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34   9.67 +/- 1.16   1.838% *  0.0184% (0.14   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  20.48 +/- 2.74   0.260% *  0.1174% (0.87   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ALA   34  20.76 +/- 3.46   0.247% *  0.0970% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.05 +/- 5.77   0.275% *  0.0771% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.92 +/- 4.35   0.200% *  0.1018% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  18.28 +/- 6.54   0.655% *  0.0223% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.89 +/- 3.62   0.104% *  0.0878% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  23.99 +/- 4.18   0.190% *  0.0471% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 2.72   0.131% *  0.0570% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.75 +/- 3.72   0.066% *  0.0923% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.28 +/- 4.93   0.151% *  0.0324% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.96 +/- 4.76   0.121% *  0.0283% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.581, support = 3.03, residual support = 10.9:
          HA    LEU   31 - HN    ALA   34   3.41 +/- 0.51  58.152% * 78.9749% (0.60   3.23  11.76) =  92.677%  kept
          HA    THR   77 - HN    LEU   80   4.46 +/- 1.47  40.500% *  8.7099% (0.36   0.60   0.59) =   7.118%  kept
          HA    LEU   31 - HN    LEU   80  18.61 +/- 4.89   0.828% * 12.0747% (0.72   0.41   0.02) =   0.202%  kept
          HA    THR   77 - HN    ALA   34  20.13 +/- 3.58   0.520% *  0.2405% (0.29   0.02   0.02) =   0.003%
    Distance limit 3.72 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 = 0.717, support = 4.66, residual support = 21.2:
          QE    LYS+  33 - HN    ALA   34   4.51 +/- 0.81  30.949% * 36.3967% (0.60   5.73  41.49) =  44.925%  kept
          HB2   ASP-  78 - HN    LEU   80   5.25 +/- 0.87  22.528% * 42.0429% (0.93   4.27   6.27) =  37.774%  kept
          HB2   ASP-  76 - HN    LEU   80   4.99 +/- 0.84  24.238% * 17.3428% (0.57   2.84   1.24) =  16.764%  kept
          HB2   ASN   28 - HN    ALA   34   9.28 +/- 0.66   3.690% *  3.2104% (0.51   0.60   0.02) =   0.472%  kept
          QE    LYS+  65 - HN    ALA   34  17.33 +/- 4.28   6.988% *  0.0809% (0.38   0.02   0.02) =   0.023%
          HB2   ASP-  86 - HN    LEU   80   9.19 +/- 1.27   4.217% *  0.0559% (0.26   0.02   0.02) =   0.009%
          HB2   ASP-  78 - HN    ALA   34  22.91 +/- 4.43   1.213% *  0.1630% (0.77   0.02   0.02) =   0.008%
          HB2   ASN   28 - HN    LEU   80  17.82 +/- 6.14   1.395% *  0.1301% (0.61   0.02   1.20) =   0.007%
          HB2   ASP-  76 - HN    ALA   34  19.02 +/- 3.60   1.239% *  0.1008% (0.47   0.02   0.02) =   0.005%
          HB2   ASN   69 - HN    ALA   34  13.98 +/- 2.31   1.536% *  0.0809% (0.38   0.02   0.02) =   0.005%
          QE    LYS+  33 - HN    LEU   80  20.47 +/- 4.82   0.541% *  0.1537% (0.72   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    LEU   80  16.80 +/- 2.76   0.740% *  0.0979% (0.46   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    ALA   34  23.47 +/- 7.44   0.499% *  0.0462% (0.22   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    LEU   80  23.70 +/- 2.61   0.228% *  0.0979% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.34 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 = 5.65, residual support = 48.3:
          HB2   GLU-  79 - HN    LEU   80   2.78 +/- 0.40  84.487% * 89.0615% (0.46   5.70  48.76) =  99.097%  kept
          HG3   GLU-  36 - HN    ALA   34   6.93 +/- 1.08   9.490% *  6.9705% (0.27   0.77   0.36) =   0.871%  kept
          HG3   GLU-  25 - HN    LEU   80  18.87 +/- 6.71   1.314% *  0.6295% (0.93   0.02   0.02) =   0.011%
          HG2   PRO   52 - HN    LEU   80  16.92 +/- 4.22   0.775% *  0.5571% (0.82   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    ALA   34  14.63 +/- 0.98   0.702% *  0.5205% (0.77   0.02   0.02) =   0.005%
          HG2   MET   92 - HN    LEU   80  15.30 +/- 2.50   0.945% *  0.2191% (0.32   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HN    ALA   34  19.75 +/- 4.46   0.497% *  0.2585% (0.38   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  20.75 +/- 3.94   0.514% *  0.2410% (0.36   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    LEU   80  19.55 +/- 2.98   0.370% *  0.2640% (0.39   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  20.92 +/- 3.02   0.279% *  0.2183% (0.32   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  28.11 +/- 3.12   0.105% *  0.4606% (0.68   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.71 +/- 3.67   0.220% *  0.1993% (0.29   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  26.86 +/- 4.91   0.182% *  0.2191% (0.32   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  26.91 +/- 2.24   0.120% *  0.1811% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 7.1, residual support = 39.0:
      O   HA    LYS+  33 - HN    ALA   34   3.57 +/- 0.03  38.911% * 81.5994% (0.78  10.0   7.35  41.49) =  93.810%  kept
          HA    GLN   32 - HN    ALA   34   4.38 +/- 0.35  22.130% *  5.2808% (0.22   1.0   4.66   0.66) =   3.453%  kept
          HA    GLU-  29 - HN    ALA   34   6.37 +/- 0.82   8.950% *  8.3386% (0.75   1.0   2.12   0.36) =   2.205%  kept
          HB2   SER   82 - HN    LEU   80   7.03 +/- 0.74   5.722% *  2.4494% (0.85   1.0   0.55   0.49) =   0.414%  kept
          HA    VAL   18 - HN    ALA   34  11.89 +/- 1.78   1.747% *  1.3277% (0.74   1.0   0.34   0.02) =   0.069%
          HB2   SER   37 - HN    ALA   34   6.25 +/- 1.02   9.412% *  0.1032% (0.17   1.0   0.11   0.25) =   0.029%
          HA    SER   48 - HN    LEU   80  10.95 +/- 3.92   6.233% *  0.0519% (0.50   1.0   0.02   0.02) =   0.010%
          HA    VAL   70 - HN    ALA   34  11.06 +/- 1.87   1.714% *  0.0708% (0.68   1.0   0.02   0.02) =   0.004%
          HA    GLU-  29 - HN    LEU   80  20.47 +/- 6.09   0.447% *  0.0952% (0.91   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  11.30 +/- 0.92   1.315% *  0.0305% (0.29   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LEU   80  19.14 +/- 6.76   0.401% *  0.0934% (0.89   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  22.73 +/- 3.45   0.294% *  0.0856% (0.82   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  23.77 +/- 5.36   0.238% *  0.0987% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  24.19 +/- 7.27   0.306% *  0.0732% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  20.25 +/- 1.67   0.237% *  0.0856% (0.82   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  22.35 +/- 3.44   0.224% *  0.0708% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.96 +/- 5.64   0.560% *  0.0274% (0.26   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.34 +/- 3.86   0.630% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.29 +/- 2.92   0.135% *  0.0429% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.00 +/- 3.41   0.165% *  0.0220% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  26.77 +/- 5.14   0.130% *  0.0252% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.85 +/- 3.07   0.098% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.301, support = 1.74, residual support = 4.61:
          HN    GLN   30 - HN    ALA   34   5.62 +/- 0.74  49.495% * 36.9156% (0.17  1.00   2.24   6.35) =  71.161%  kept
          HN    GLU-  29 - HN    ALA   34   7.67 +/- 0.78  19.378% * 32.3994% (0.61  1.00   0.57   0.36) =  24.452%  kept
          HN    VAL   18 - HN    ALA   34  13.97 +/- 2.07   3.987% * 23.5663% (0.72  1.00   0.34   0.02) =   3.660%  kept
          HN    ASP-  86 - HN    LEU   80   8.70 +/- 0.92  16.116% *  0.3759% (0.20  1.00   0.02   0.02) =   0.236%  kept
        T HN    ASP-  86 - HN    ALA   34  24.70 +/- 6.73   1.207% *  4.1969% (0.22 10.00   0.02   0.02) =   0.197%  kept
          HN    GLU-  29 - HN    LEU   80  18.36 +/- 6.21   4.111% *  1.0241% (0.54  1.00   0.02   0.02) =   0.164%  kept
          HN    VAL   18 - HN    LEU   80  20.06 +/- 6.65   1.764% *  1.2261% (0.65  1.00   0.02   0.02) =   0.084%
          HN    GLN   30 - HN    LEU   80  18.03 +/- 5.85   3.942% *  0.2957% (0.16  1.00   0.02   0.02) =   0.045%
    Distance limit 3.80 A violated in 12 structures by 1.59 A, kept.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.214, support = 1.68, residual support = 4.41:
          HN    GLN   30 - HN    ALA   34   5.62 +/- 0.74  49.495% * 31.8196% (0.11  1.00   2.24   6.35) =  67.884%  kept
          HN    GLU-  29 - HN    ALA   34   7.67 +/- 0.78  19.378% * 31.3478% (0.41  1.00   0.57   0.36) =  26.183%  kept
          HN    VAL   18 - HN    ALA   34  13.97 +/- 2.07   3.987% * 28.9862% (0.63  1.00   0.34   0.02) =   4.982%  kept
          HN    ASP-  86 - HN    LEU   80   8.70 +/- 0.92  16.116% *  0.4454% (0.17  1.00   0.02   0.02) =   0.309%  kept
          HN    GLU-  29 - HN    LEU   80  18.36 +/- 6.21   4.111% *  1.3380% (0.50  1.00   0.02   0.02) =   0.237%  kept
        T HN    ASP-  86 - HN    ALA   34  24.70 +/- 6.73   1.207% *  3.6825% (0.14 10.00   0.02   0.02) =   0.192%  kept
          HN    VAL   18 - HN    LEU   80  20.06 +/- 6.65   1.764% *  2.0364% (0.76  1.00   0.02   0.02) =   0.155%  kept
          HN    GLN   30 - HN    LEU   80  18.03 +/- 5.85   3.942% *  0.3442% (0.13  1.00   0.02   0.02) =   0.058%
    Distance limit 3.77 A violated in 12 structures by 1.61 A, kept.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.83, residual support = 21.4:
        T HN    ASN   35 - HN    ALA   34   2.76 +/- 0.04  97.264% * 98.3004% (0.54 10.00   4.83  21.39) =  99.994%  kept
        T HN    ASN   35 - HN    LEU   80  22.84 +/- 5.01   0.362% *  1.1889% (0.65 10.00   0.02   0.02) =   0.005%
          HN    ALA   12 - HN    ALA   34  17.22 +/- 4.19   0.599% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    ALA   34  15.54 +/- 2.05   0.636% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.90 +/- 2.95   0.470% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  27.96 +/- 4.04   0.129% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.16 +/- 2.68   0.299% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  22.79 +/- 3.36   0.240% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.28, residual support = 40.6:
          HN    LYS+  81 - HN    LEU   80   3.59 +/- 0.50  79.976% * 96.2669% (0.94   5.29  40.65) =  99.807%  kept
          HE3   TRP   27 - HN    LEU   80  13.95 +/- 5.72   5.190% *  2.5071% (0.15   0.88   7.34) =   0.169%  kept
          QD    PHE   60 - HN    LEU   80  13.66 +/- 2.82   2.101% *  0.3295% (0.85   0.02   0.02) =   0.009%
          HE3   TRP   27 - HN    ALA   34   8.33 +/- 1.28   8.865% *  0.0469% (0.12   0.02   0.02) =   0.005%
          QD    PHE   60 - HN    ALA   34  16.25 +/- 2.46   1.325% *  0.2725% (0.70   0.02   0.02) =   0.005%
          HN    LYS+  66 - HN    ALA   34  17.00 +/- 2.73   1.264% *  0.1249% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    ALA   34  23.50 +/- 5.46   0.475% *  0.3011% (0.78   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.45 +/- 2.66   0.804% *  0.1511% (0.39   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peaks:
      selected                               :   1103
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    925
      with given assignment possibilities    :      0
      with unique volume contribution        :    466
      with multiple volume contributions     :    506
      eliminated by violation filter         :     35
 
    Peaks:
      selected                               :   1103
      without assignment                     :     50
      with assignment                        :   1053
      with unique assignment                 :    572
      with multiple assignment               :    481
      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             :    924
 
    Atoms with eliminated volume contribution > 2.5:
 
    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 = 0.782, support = 3.67, residual support = 46.9:
    * O T HG2   MET   11 - HA    MET   11   3.37 +/- 0.67  37.542% * 70.8328% (1.00  10.0 10.00   4.00  47.81) =  64.137%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.82 +/- 0.18  53.545% * 27.7351% (0.39  10.0 10.00   3.08  45.40) =  35.818%  kept
        T HB2   GLU-  14 - HA    MET   11   9.93 +/- 1.54   1.902% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.032%
        T HG2   MET   11 - HA    GLU-  14   9.74 +/- 1.32   1.614% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.011%
          HB2   PRO   68 - HA    GLU-  14  14.45 +/- 4.28   4.020% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HA    MET   11  32.60 +/- 8.63   0.114% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.16 +/- 6.06   0.279% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.55 +/- 5.12   0.313% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  29.40 +/- 6.11   0.087% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  35.78 +/- 8.02   0.065% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.00 +/- 5.99   0.148% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.03 +/- 3.90   0.142% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.99 +/- 4.73   0.057% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.91 +/- 2.37   0.089% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  35.62 +/- 4.28   0.031% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.32 +/- 2.24   0.051% *  0.0038% (0.05   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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.778, support = 3.67, residual support = 46.9:
    * O T HG3   MET   11 - HA    MET   11   3.29 +/- 0.59  37.783% * 72.0852% (1.00  10.0 10.00   4.00  47.81) =  64.710%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.78 +/- 0.19  55.428% * 26.7596% (0.37  10.0 10.00   3.08  45.40) =  35.240%  kept
        T HB3   GLU-  14 - HA    MET   11   9.61 +/- 1.74   2.198% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.036%
        T HG3   MET   11 - HA    GLU-  14  10.16 +/- 1.61   2.146% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.014%
          HB3   GLN   30 - HA    MET   11  18.05 +/- 5.16   0.557% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.75 +/- 3.08   0.817% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  28.12 +/- 6.30   0.121% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.75 +/- 3.88   0.356% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.64 +/- 5.17   0.138% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.75 +/- 4.32   0.060% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.85 +/- 4.04   0.196% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.87 +/- 1.68   0.105% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.51 +/- 5.03   0.039% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.64 +/- 2.83   0.054% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 0.843, support = 3.81, residual support = 46.5:
    * O T HA    MET   11 - HG2   MET   11   3.37 +/- 0.67  28.945% * 79.8490% (1.00  10.0 10.00   4.00  47.81) =  80.369%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.82 +/- 0.18  40.303% * 12.2930% (0.15  10.0 10.00   3.08  45.40) =  17.228%  kept
          HA    ALA   12 - HG2   MET   11   5.06 +/- 0.97  10.934% *  6.1562% (0.53   1.0  1.00   2.93  11.97) =   2.341%  kept
          HA    ALA   12 - HB2   GLU-  14   7.14 +/- 1.11   3.222% *  0.2625% (0.20   1.0  1.00   0.33   0.02) =   0.029%
        T HA    MET   11 - HB2   GLU-  14   9.93 +/- 1.54   1.464% *  0.2990% (0.37   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  14 - HG2   MET   11   9.74 +/- 1.32   1.234% *  0.3283% (0.41   1.0 10.00   0.02   0.02) =   0.014%
          HA1   GLY   51 - HB2   ARG+  54   5.62 +/- 0.83   7.229% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   ARG+  54  32.60 +/- 8.63   0.087% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.16 +/- 6.06   0.199% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  21.21 +/- 4.85   0.137% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.74 +/- 4.14   0.353% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.87 +/- 4.10   0.060% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  30.33 +/- 4.76   0.059% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.66 +/- 1.30   2.967% *  0.0012% (0.01   1.0  1.00   0.02   0.52) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.48 +/- 3.67   0.461% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.09 +/- 2.28   0.450% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.46 +/- 1.99   0.116% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.58 +/- 4.96   0.046% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  24.41 +/- 3.44   0.105% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  27.92 +/- 3.90   0.054% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.49 +/- 3.33   0.086% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.50 +/- 4.66   0.027% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  34.42 +/- 8.05   0.067% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.80 +/- 4.39   0.106% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.14 +/- 5.55   0.036% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  29.11 +/- 6.15   0.124% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.83 +/- 3.66   0.142% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.01 +/- 3.90   0.037% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  22.08 +/- 4.08   0.221% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.50 +/- 4.54   0.217% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  28.23 +/- 5.96   0.068% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  30.42 +/- 8.01   0.192% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  30.76 +/- 4.97   0.040% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.91 +/- 2.33   0.065% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.32 +/- 3.69   0.092% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  27.11 +/- 3.46   0.056% *  0.0038% (0.05   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 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.855, support = 3.29, residual support = 46.5:
    * O T QB    MET   11 - HG2   MET   11   2.35 +/- 0.12  44.022% * 66.1248% (1.00  10.0 10.00   3.31  47.81) =  81.455%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.38 +/- 0.15  42.427% * 14.0193% (0.21  10.0 10.00   3.29  45.40) =  16.644%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.61 +/- 0.67   3.659% * 17.9811% (0.27   1.0 10.00   2.35   1.68) =   1.841%  kept
        T QG    GLU-  15 - HG2   MET   11  11.35 +/- 2.33   1.712% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.023%
        T QB    MET   11 - HB2   GLU-  14   8.33 +/- 1.99   3.042% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.021%
        T QG    GLU-  14 - HG2   MET   11   8.72 +/- 1.64   1.305% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   GLU-  36 - HG2   MET   11  19.27 +/- 5.00   0.111% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLU-  36 - HB2   GLU-  14  16.06 +/- 3.75   0.204% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   ARG+  54  24.24 +/- 4.75   0.143% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  23.66 +/- 5.62   0.174% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  13.38 +/- 2.90   0.457% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  28.93 +/- 6.94   0.062% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.76 +/- 3.86   0.109% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.38 +/- 1.45   0.214% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.30 +/- 4.25   0.047% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.11 +/- 2.40   0.401% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.00 +/- 1.98   0.094% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.17 +/- 3.13   0.400% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.63 +/- 2.73   0.478% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.88 +/- 4.59   0.026% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  26.96 +/- 4.15   0.039% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.27 +/- 4.31   0.167% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  29.98 +/- 3.95   0.025% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.67 +/- 4.81   0.082% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  33.41 +/- 4.29   0.018% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  28.28 +/- 5.31   0.040% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  36.15 +/- 4.58   0.016% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.62 +/- 2.29   0.148% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.73 +/- 3.76   0.038% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  24.13 +/- 2.97   0.047% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.03 +/- 4.17   0.193% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  21.62 +/- 3.43   0.078% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.83 +/- 2.34   0.023% *  0.0093% (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 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 = 47.2:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  48.221% * 72.5786% (1.00  10.0 10.00   3.99  47.81) =  73.829%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  48.222% * 25.7103% (0.35  10.0 10.00   3.00  45.40) =  26.153%  kept
        T HB3   GLU-  14 - HG2   MET   11   9.28 +/- 2.42   0.679% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   MET   11 - HB2   GLU-  14  10.08 +/- 2.40   1.345% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   58 - HB2   GLU-  14  21.89 +/- 4.14   0.060% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  27.90 +/- 6.06   0.021% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.26 +/- 6.04   0.043% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  17.81 +/- 5.47   0.151% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  10.27 +/- 2.51   0.595% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  32.60 +/- 8.13   0.019% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  12.87 +/- 3.26   0.229% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  22.77 +/- 5.49   0.037% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  28.77 +/- 4.26   0.014% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.85 +/- 3.85   0.070% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.44 +/- 2.37   0.026% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.14 +/- 4.21   0.031% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.48 +/- 2.73   0.149% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.70 +/- 2.39   0.048% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  35.36 +/- 4.46   0.007% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.17 +/- 2.67   0.011% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  24.29 +/- 3.35   0.023% *  0.0022% (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 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.843, support = 3.82, residual support = 46.5:
    * O T HA    MET   11 - HG3   MET   11   3.29 +/- 0.59  31.892% * 80.7278% (1.00  10.0 10.00   4.00  47.81) =  80.629%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.78 +/- 0.19  46.086% * 11.7828% (0.15  10.0 10.00   3.08  45.40) =  17.006%  kept
          HA    ALA   12 - HG3   MET   11   5.22 +/- 1.07  11.973% *  6.2050% (0.53   1.0  1.00   2.92  11.97) =   2.327%  kept
        T HA    GLU-  14 - HG3   MET   11  10.16 +/- 1.61   1.768% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.018%
        T HA    MET   11 - HB3   GLU-  14   9.61 +/- 1.74   1.806% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.016%
          HA    ALA   12 - HB3   GLU-  14   6.92 +/- 1.30   4.618% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HG3   MET   11  30.39 +/- 5.14   0.092% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  27.06 +/- 4.36   0.066% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  16.09 +/- 4.26   0.371% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  21.42 +/- 4.62   0.131% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  20.77 +/- 2.19   0.125% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  29.68 +/- 4.86   0.046% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  27.91 +/- 4.18   0.073% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  24.71 +/- 3.51   0.119% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  36.49 +/- 4.95   0.034% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.80 +/- 3.60   0.083% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.07 +/- 4.64   0.126% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  34.67 +/- 8.35   0.066% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  36.09 +/- 5.65   0.044% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  31.19 +/- 3.99   0.042% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  29.34 +/- 6.22   0.109% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  22.35 +/- 4.43   0.209% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  28.58 +/- 6.22   0.074% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  30.91 +/- 5.16   0.047% *  0.0140% (0.17   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 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.839, support = 3.28, residual support = 46.2:
    * O T QB    MET   11 - HG3   MET   11   2.44 +/- 0.11  41.803% * 67.3911% (1.00  10.0 10.00   3.31  47.81) =  79.683%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.35 +/- 0.14  46.263% * 13.5457% (0.20  10.0 10.00   3.29  45.40) =  17.725%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.83 +/- 0.98   5.173% * 17.3737% (0.26   1.0 10.00   2.22   1.68) =   2.542%  kept
        T QB    MET   11 - HB3   GLU-  14   7.97 +/- 2.25   2.813% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.019%
        T QG    GLU-  14 - HG3   MET   11   9.09 +/- 2.00   1.674% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.018%
        T QG    GLU-  15 - HG3   MET   11  11.71 +/- 2.33   0.821% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.011%
        T HG3   GLU-  36 - HG3   MET   11  19.21 +/- 4.81   0.126% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLU-  36 - HB3   GLU-  14  16.27 +/- 4.17   0.195% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  13.75 +/- 3.06   0.415% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.02 +/- 3.77   0.105% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  25.54 +/- 4.54   0.053% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  19.31 +/- 2.22   0.096% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  32.90 +/- 4.88   0.027% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  26.97 +/- 4.36   0.039% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  28.59 +/- 5.72   0.057% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  30.17 +/- 4.26   0.028% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.95 +/- 5.10   0.083% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  36.31 +/- 4.97   0.017% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  24.36 +/- 3.28   0.057% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  21.93 +/- 3.81   0.096% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  27.95 +/- 3.76   0.035% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.07 +/- 2.47   0.024% *  0.0090% (0.13   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.2:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  48.680% * 71.8618% (1.00  10.0 10.00   3.99  47.81) =  73.824%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  48.680% * 25.4564% (0.35  10.0 10.00   3.00  45.40) =  26.152%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.08 +/- 2.40   1.358% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.021%
        T HG2   MET   11 - HB3   GLU-  14   9.28 +/- 2.42   0.686% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   PRO   58 - HG3   MET   11  29.62 +/- 6.16   0.017% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  35.78 +/- 7.77   0.013% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  32.60 +/- 8.13   0.020% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  15.25 +/- 3.95   0.319% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.26 +/- 6.04   0.043% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  20.99 +/- 4.97   0.072% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.37 +/- 4.23   0.042% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.99 +/- 5.80   0.023% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  31.01 +/- 4.48   0.012% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  24.86 +/- 2.45   0.019% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  35.81 +/- 4.37   0.007% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.32 +/- 2.17   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 = 0.878, support = 3.37, residual support = 46.5:
    * O T HA    MET   11 - QB    MET   11   2.35 +/- 0.15  36.991% * 74.9886% (1.00  10.0 10.00   3.37  47.81) =  85.554%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.36 +/- 0.46  39.263% * 10.0046% (0.13  10.0 10.00   3.57  45.40) =  12.115%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.89 +/- 0.88   5.799% *  7.4323% (0.10   1.0 10.00   2.54   1.68) =   1.329%  kept
          HA    ALA   12 - QB    MET   11   4.21 +/- 0.26   6.922% *  4.5635% (0.53   1.0  1.00   2.31  11.97) =   0.974%  kept
        T HA    GLU-  14 - QB    MET   11   8.26 +/- 1.45   1.153% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.011%
        T HA    MET   11 - QG    GLU-  14   9.05 +/- 1.64   1.053% *  0.2434% (0.32   1.0 10.00   0.02   0.02) =   0.008%
        T HA    MET   11 - QG    GLU-  15  11.33 +/- 1.65   0.426% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QB    MET   11  23.98 +/- 3.59   0.052% *  0.7482% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.78 +/- 1.10   2.047% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  18.10 +/- 2.17   0.107% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.94 +/- 2.06   0.104% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  24.92 +/- 4.02   0.042% *  0.4246% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   9.04 +/- 1.45   1.375% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  11.64 +/- 4.40   1.308% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  18.84 +/- 4.05   0.103% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  30.80 +/- 7.20   0.108% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  27.07 +/- 4.49   0.040% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.49 +/- 3.37   0.236% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.26 +/- 4.05   0.037% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.32 +/- 1.22   0.528% *  0.0045% (0.06   1.0  1.00   0.02   0.85) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.84 +/- 4.24   0.040% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  19.39 +/- 4.13   0.457% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  21.56 +/- 3.13   0.069% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  25.53 +/- 5.75   0.175% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.17 +/- 3.16   0.071% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.54 +/- 3.89   0.078% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.53 +/- 4.36   0.019% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.08 +/- 3.93   0.087% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.77 +/- 4.77   0.116% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.57 +/- 2.09   0.069% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  19.01 +/- 4.63   0.116% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  17.30 +/- 4.58   0.219% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.91 +/- 2.73   0.102% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.15 +/- 5.11   0.024% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  25.19 +/- 5.01   0.059% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.54 +/- 3.34   0.027% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.30 +/- 3.85   0.159% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.42 +/- 5.12   0.077% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  28.63 +/- 4.39   0.027% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.74 +/- 1.55   0.044% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  27.41 +/- 4.00   0.029% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  19.47 +/- 3.10   0.107% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  28.22 +/- 5.33   0.030% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  27.80 +/- 3.29   0.027% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  32.82 +/- 5.78   0.017% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  31.14 +/- 7.43   0.024% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  35.42 +/- 4.15   0.016% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  27.86 +/- 3.71   0.027% *  0.0014% (0.02   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 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 = 0.83, support = 3.29, residual support = 46.5:
    * O T HG2   MET   11 - QB    MET   11   2.35 +/- 0.12  43.699% * 62.8007% (1.00  10.0 10.00   3.31  47.81) =  75.023%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.38 +/- 0.15  42.109% * 20.3350% (0.32  10.0 10.00   3.29  45.40) =  23.409%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.61 +/- 0.67   3.631% * 15.1066% (0.24   1.0 10.00   2.35   1.68) =   1.500%  kept
        T HB2   GLU-  14 - QB    MET   11   8.33 +/- 1.99   3.020% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.052%
        T HG2   MET   11 - QG    GLU-  14   8.72 +/- 1.64   1.295% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   MET   11 - QG    GLU-  15  11.35 +/- 2.33   1.698% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   GLU-  14 - HG3   GLU-  36  16.06 +/- 3.75   0.203% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  19.27 +/- 5.00   0.110% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.23 +/- 3.72   1.425% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  28.93 +/- 6.94   0.061% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  23.66 +/- 5.62   0.172% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  11.18 +/- 3.65   1.262% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  24.24 +/- 4.75   0.142% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  18.25 +/- 4.51   0.204% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  20.24 +/- 4.13   0.170% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  26.06 +/- 4.94   0.048% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  31.75 +/- 6.68   0.039% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  28.77 +/- 3.78   0.031% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.24 +/- 5.41   0.074% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  20.03 +/- 2.06   0.080% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.42 +/- 3.62   0.014% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  27.51 +/- 3.64   0.034% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  26.95 +/- 4.53   0.049% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  21.63 +/- 2.41   0.061% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  22.03 +/- 2.75   0.070% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.64 +/- 3.43   0.130% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  33.41 +/- 4.29   0.018% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  31.76 +/- 3.58   0.020% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  25.83 +/- 2.63   0.036% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.26 +/- 2.26   0.042% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.76 +/- 2.37   0.026% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.97 +/- 1.76   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 = 0.811, support = 3.28, residual support = 46.2:
    * O T HG3   MET   11 - QB    MET   11   2.44 +/- 0.11  40.287% * 64.2177% (1.00  10.0 10.00   3.31  47.81) =  73.055%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.35 +/- 0.14  44.589% * 19.7139% (0.31  10.0 10.00   3.29  45.40) =  24.822%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.83 +/- 0.98   4.986% * 14.6452% (0.23   1.0 10.00   2.22   1.68) =   2.062%  kept
        T HB3   GLU-  14 - QB    MET   11   7.97 +/- 2.25   2.711% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.047%
        T HG3   MET   11 - QG    GLU-  14   9.09 +/- 2.00   1.613% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   MET   11 - QG    GLU-  15  11.71 +/- 2.33   0.791% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   GLU-  14 - HG3   GLU-  36  16.27 +/- 4.17   0.188% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  19.21 +/- 4.81   0.121% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  15.98 +/- 4.74   0.849% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.13 +/- 4.22   0.272% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.78 +/- 2.68   0.039% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.24 +/- 4.70   0.112% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.98 +/- 3.10   0.601% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  12.83 +/- 3.33   0.449% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.63 +/- 3.71   0.047% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.84 +/- 3.04   0.738% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  24.88 +/- 5.14   0.065% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.27 +/- 3.16   0.039% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.27 +/- 3.63   0.230% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.06 +/- 2.38   0.086% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.52 +/- 2.05   0.388% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.45 +/- 1.99   0.089% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  19.05 +/- 2.22   0.104% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.56 +/- 1.33   0.455% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  31.58 +/- 4.15   0.023% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  21.47 +/- 2.19   0.068% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  28.03 +/- 4.45   0.041% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.13 +/- 2.23   0.018% *  0.0022% (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 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 = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.01  97.049% * 99.1918% (0.82  10.0 10.00   2.00  12.41) =  99.998%  kept
          HD3   LYS+ 121 - HA    ALA   12  26.94 +/- 6.86   1.222% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    ALA   12  14.66 +/- 4.03   0.517% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    ALA   12  20.41 +/- 4.69   0.247% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  18.66 +/- 3.54   0.232% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.45 +/- 3.12   0.128% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  18.92 +/- 2.76   0.207% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  21.86 +/- 3.44   0.115% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.30 +/- 4.96   0.050% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  30.81 +/- 5.74   0.050% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  29.78 +/- 3.49   0.041% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  27.14 +/- 5.02   0.071% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  28.68 +/- 4.42   0.070% *  0.0142% (0.12   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 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.817, support = 2.01, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.01  81.456% * 95.6482% (0.82  10.0 10.00   2.00  12.41) =  99.310%  kept
          HA    MET   11 - QB    ALA   12   3.89 +/- 0.19  13.568% *  3.9537% (0.24   1.0  1.00   2.88  11.97) =   0.684%  kept
          HA    GLU-  14 - QB    ALA   12   6.22 +/- 0.99   4.457% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.006%
          HA    LEU  104 - QB    ALA   12  23.78 +/- 3.62   0.074% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.22 +/- 4.34   0.047% *  0.0989% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  23.68 +/- 4.02   0.174% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.53 +/- 2.88   0.124% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.92 +/- 4.22   0.052% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.61 +/- 3.76   0.047% *  0.0193% (0.17   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 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 = 0.873, support = 2.09, residual support = 12.2:
    * O T QB    SER   13 - HA    SER   13   2.38 +/- 0.16  52.440% * 63.6103% (1.00  10.0 10.00   1.93   6.39) =  74.377%  kept
      O T HB3   SER   37 - HA    SER   37   2.74 +/- 0.21  35.401% * 32.1538% (0.51  10.0 10.00   2.58  29.46) =  25.381%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.85   5.030% *  2.0296% (0.53   1.0  1.00   1.20   4.62) =   0.228%  kept
        T HB3   SER   37 - HA    SER   13  14.30 +/- 4.71   0.467% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T QB    SER   13 - HA    SER   37  14.13 +/- 4.59   0.454% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HA    ILE   89 - HA    THR   46   9.70 +/- 2.12   1.840% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  23.76 +/- 3.81   0.104% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.58 +/- 1.79   0.052% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.25 +/- 2.11   1.443% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.60 +/- 4.51   0.291% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  13.17 +/- 3.57   0.530% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.33 +/- 2.23   0.235% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.33 +/- 1.40   0.762% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.95 +/- 1.28   0.283% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  24.67 +/- 4.61   0.118% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.79 +/- 1.50   0.073% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  31.58 +/- 7.27   0.116% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.68 +/- 4.68   0.040% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.76 +/- 5.74   0.042% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  21.97 +/- 3.65   0.093% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  29.42 +/- 5.52   0.040% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.95 +/- 2.38   0.096% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.54 +/- 4.08   0.030% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.73 +/- 2.91   0.021% *  0.0116% (0.18   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 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.876, support = 2.1, residual support = 12.5:
    * O T HA    SER   13 - QB    SER   13   2.38 +/- 0.16  51.546% * 63.8850% (1.00  10.0 10.00   1.93   6.39) =  73.651%  kept
      O T HA    SER   37 - HB3   SER   37   2.74 +/- 0.21  34.820% * 33.8056% (0.53  10.0 10.00   2.58  29.46) =  26.327%  kept
        T HA    SER   13 - HB3   SER   37  14.30 +/- 4.71   0.459% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.006%
        T HA    SER   37 - QB    SER   13  14.13 +/- 4.59   0.447% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  15 - QB    SER   13   6.81 +/- 0.61   2.302% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   SER   37   8.43 +/- 1.30   2.083% *  0.0565% (0.88   1.0  1.00   0.02   0.70) =   0.003%
          HA    GLU-  15 - HB3   SER   37  11.96 +/- 4.75   0.964% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  23.76 +/- 3.81   0.102% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.34 +/- 0.47   2.959% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.35 +/- 1.42   0.781% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.58 +/- 1.79   0.051% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.51 +/- 3.81   0.255% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  14.65 +/- 3.42   0.308% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  11.22 +/- 3.84   1.269% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  20.62 +/- 5.92   0.463% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  21.13 +/- 4.05   0.130% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.72 +/- 3.94   0.137% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  16.02 +/- 4.30   0.396% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.00 +/- 5.40   0.168% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.62 +/- 5.32   0.144% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.25 +/- 3.75   0.161% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.39 +/- 3.27   0.054% *  0.0149% (0.23   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 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 = 0.867, support = 3.28, residual support = 45.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.82 +/- 0.18  48.105% * 70.8449% (1.00  10.0 10.00   3.08  45.40) =  78.230%  kept
      O T HG2   MET   11 - HA    MET   11   3.37 +/- 0.67  34.126% * 27.7398% (0.39  10.0 10.00   4.00  47.81) =  21.730%  kept
        T HG2   MET   11 - HA    GLU-  14   9.74 +/- 1.32   1.460% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.024%
        T HB2   GLU-  14 - HA    MET   11   9.93 +/- 1.54   1.699% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.011%
          QB    GLN   32 - HA    GLU-  14  14.56 +/- 4.88   8.682% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - HA    GLU-  14  14.45 +/- 4.28   3.664% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   ARG+  54 - HA    GLU-  14  27.16 +/- 6.06   0.254% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    GLU-  14  30.00 +/- 5.99   0.135% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.03 +/- 3.90   0.125% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  16.90 +/- 5.80   1.109% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  32.60 +/- 8.63   0.103% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.55 +/- 5.12   0.273% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.91 +/- 2.37   0.080% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  29.40 +/- 6.11   0.074% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  35.78 +/- 8.02   0.059% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.99 +/- 4.73   0.051% *  0.0104% (0.15   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 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.875, support = 3.43, residual support = 41.1:
    * O T QG    GLU-  14 - HA    GLU-  14   2.36 +/- 0.46  45.184% * 45.0668% (1.00  10.0 10.00   3.57  45.40) =  73.886%  kept
      O T QB    MET   11 - HA    MET   11   2.35 +/- 0.15  42.719% * 10.0127% (0.22  10.0 10.00   3.37  47.81) =  15.520%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.89 +/- 0.88   6.696% * 43.4925% (0.97   1.0 10.00   2.54   1.68) =  10.567%  kept
        T QB    MET   11 - HA    GLU-  14   8.26 +/- 1.45   1.329% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.012%
        T QG    GLU-  14 - HA    MET   11   9.05 +/- 1.64   1.212% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  15 - HA    MET   11  11.33 +/- 1.65   0.492% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  44 - HA    GLU-  14  19.32 +/- 1.68   0.086% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  14  13.81 +/- 2.89   0.539% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  44 - HA    MET   11  25.50 +/- 4.47   0.066% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  14.81 +/- 4.79   0.751% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  21.32 +/- 3.84   0.112% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  17.25 +/- 6.49   0.525% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  19.90 +/- 3.56   0.134% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  28.41 +/- 3.74   0.033% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  28.30 +/- 5.48   0.059% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  33.04 +/- 4.84   0.024% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.04 +/- 2.65   0.023% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  36.10 +/- 5.00   0.016% *  0.0039% (0.09   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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.909, support = 3.17, residual support = 45.1:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.82 +/- 0.18  45.468% * 80.7131% (1.00  10.0 10.00   3.08  45.40) =  88.801%  kept
      O T HA    MET   11 - HG2   MET   11   3.37 +/- 0.67  32.482% * 12.4260% (0.15  10.0 10.00   4.00  47.81) =   9.767%  kept
          HA    ALA   12 - HG2   MET   11   5.06 +/- 0.97  12.290% *  4.3415% (0.37   1.0  1.00   2.93  11.97) =   1.291%  kept
          HA    ALA   12 - HB2   GLU-  14   7.14 +/- 1.11   3.636% *  1.3202% (0.98   1.0  1.00   0.33   0.02) =   0.116%  kept
        T HA    MET   11 - HB2   GLU-  14   9.93 +/- 1.54   1.643% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.013%
        T HA    GLU-  14 - HG2   MET   11   9.74 +/- 1.32   1.389% *  0.3023% (0.37   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU-  14 - HB2   ARG+  54  27.16 +/- 6.06   0.241% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   GLU-  14  25.27 +/- 4.21   0.121% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  32.60 +/- 8.63   0.099% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.46 +/- 1.99   0.130% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  30.76 +/- 4.97   0.045% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  24.41 +/- 3.44   0.118% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  30.42 +/- 8.01   0.220% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.09 +/- 2.28   0.509% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.48 +/- 3.67   0.519% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.49 +/- 3.33   0.097% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.14 +/- 5.55   0.041% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.32 +/- 3.69   0.103% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.63 +/- 5.22   0.046% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.01 +/- 3.90   0.041% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.87 +/- 4.10   0.068% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  30.33 +/- 4.76   0.067% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.22 +/- 2.33   0.063% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.83 +/- 3.66   0.160% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  30.16 +/- 4.40   0.051% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.58 +/- 4.96   0.052% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.50 +/- 4.66   0.031% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  21.88 +/- 3.24   0.144% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  35.81 +/- 5.78   0.054% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.91 +/- 2.33   0.074% *  0.0026% (0.03   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 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 = 0.864, support = 3.23, residual support = 43.0:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.38 +/- 0.15  41.869% * 45.4322% (1.00  10.0 10.00   3.29  45.40) =  76.693%  kept
      O T QB    MET   11 - HG2   MET   11   2.35 +/- 0.12  43.444% *  9.6322% (0.21  10.0 10.00   3.31  47.81) =  16.871%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.61 +/- 0.67   3.610% * 43.8452% (0.97   1.0 10.00   2.35   1.68) =   6.381%  kept
        T QB    MET   11 - HB2   GLU-  14   8.33 +/- 1.99   3.001% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.031%
        T QG    GLU-  15 - HG2   MET   11  11.35 +/- 2.33   1.690% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.011%
        T QG    GLU-  14 - HG2   MET   11   8.72 +/- 1.64   1.288% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.009%
          HB2   GLU-  29 - HB2   GLU-  14  13.78 +/- 4.89   1.486% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  13.38 +/- 2.90   0.451% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  14 - HB2   ARG+  54  23.66 +/- 5.62   0.171% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.38 +/- 1.45   0.211% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  24.24 +/- 4.75   0.141% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  16.87 +/- 6.94   0.945% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.00 +/- 1.98   0.093% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.11 +/- 2.40   0.396% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  21.62 +/- 3.43   0.076% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  28.93 +/- 6.94   0.061% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.76 +/- 3.86   0.107% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.73 +/- 3.76   0.038% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.27 +/- 4.31   0.165% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.62 +/- 2.29   0.146% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.30 +/- 4.25   0.046% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  12.65 +/- 3.01   0.424% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  28.28 +/- 5.31   0.039% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.88 +/- 4.59   0.026% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.62 +/- 2.39   0.023% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.16 +/- 4.83   0.037% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  35.87 +/- 4.61   0.016% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.898, support = 3.44, residual support = 41.0:
    * O T HA    GLU-  14 - QG    GLU-  14   2.36 +/- 0.46  40.854% * 48.1406% (1.00  10.0 10.00   3.57  45.40) =  79.203%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.89 +/- 0.88   6.036% * 42.3565% (0.88   1.0 10.00   2.54   1.68) =  10.295%  kept
      O T HA    MET   11 - QB    MET   11   2.35 +/- 0.15  38.505% *  6.4227% (0.13  10.0 10.00   3.37  47.81) =   9.959%  kept
          HA    ALA   12 - QB    MET   11   4.21 +/- 0.26   7.209% *  1.7713% (0.32   1.0  1.00   2.31  11.97) =   0.514%  kept
        T HA    MET   11 - QG    GLU-  14   9.05 +/- 1.64   1.095% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLU-  14 - QB    MET   11   8.26 +/- 1.45   1.200% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.008%
          HA    ALA   12 - QG    GLU-  14   6.78 +/- 1.10   2.131% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T HA    MET   11 - QG    GLU-  15  11.33 +/- 1.65   0.443% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   12 - QG    GLU-  15   9.04 +/- 1.45   1.430% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QG    GLU-  14  18.10 +/- 2.17   0.111% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.94 +/- 2.06   0.109% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  104 - QG    GLU-  14  22.74 +/- 4.13   0.102% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.98 +/- 3.59   0.054% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  20.79 +/- 2.14   0.060% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  27.41 +/- 4.00   0.030% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  28.22 +/- 5.33   0.031% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  21.56 +/- 3.13   0.072% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.54 +/- 3.89   0.081% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.17 +/- 3.16   0.074% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.57 +/- 2.09   0.072% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.54 +/- 3.34   0.028% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.06 +/- 4.24   0.031% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.15 +/- 5.11   0.025% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  28.63 +/- 4.39   0.028% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  26.85 +/- 3.63   0.032% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  27.07 +/- 4.49   0.041% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  27.35 +/- 4.76   0.032% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.26 +/- 4.05   0.038% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.53 +/- 4.36   0.019% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.89 +/- 4.97   0.029% *  0.0021% (0.04   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 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 = 0.851, support = 3.21, residual support = 42.7:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.35 +/- 0.14  46.189% * 45.1588% (1.00  10.0 10.00   3.29  45.40) =  72.650%  kept
      O T HG3   MET   11 - QB    MET   11   2.44 +/- 0.11  41.736% * 13.8631% (0.31  10.0 10.00   3.31  47.81) =  20.152%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.83 +/- 0.98   5.164% * 39.7329% (0.88   1.0 10.00   2.22   1.68) =   7.147%  kept
        T HG3   MET   11 - QG    GLU-  14   9.09 +/- 2.00   1.671% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.025%
        T HB3   GLU-  14 - QB    MET   11   7.97 +/- 2.25   2.809% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   MET   11 - QG    GLU-  15  11.71 +/- 2.33   0.819% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.011%
          HB2   LEU   40 - QG    GLU-  15  12.83 +/- 3.33   0.465% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.27 +/- 3.63   0.239% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.13 +/- 4.22   0.282% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.06 +/- 2.38   0.090% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.45 +/- 1.99   0.093% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.78 +/- 2.68   0.040% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.27 +/- 3.16   0.040% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  19.05 +/- 2.22   0.107% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.24 +/- 4.70   0.116% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.63 +/- 3.71   0.049% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  24.88 +/- 5.14   0.067% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  31.58 +/- 4.15   0.024% *  0.0023% (0.05   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 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 = 0.994, support = 2.2, residual support = 8.69:
    * O T QG    GLU-  15 - HA    GLU-  15   2.61 +/- 0.59  64.152% * 49.8424% (1.00  10.0 10.00   2.12  10.07) =  83.525%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.95 +/- 0.78  13.063% * 48.1014% (0.97   1.0 10.00   2.62   1.68) =  16.414%  kept
        T QB    MET   11 - HA    GLU-  15  10.65 +/- 2.07   2.981% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.028%
        T QG    GLU-  15 - HA    LEU   40  12.94 +/- 3.09   0.925% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PHE   72 - HA    LEU   40   8.05 +/- 2.58   5.539% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.005%
        T QG    GLU-  14 - HA    LEU   40  15.28 +/- 3.20   0.466% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PHE   72 - HA    GLU-  15  11.27 +/- 3.52   3.441% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.004%
        T QB    MET   11 - HA    LEU   40  20.24 +/- 4.28   0.248% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  15 - HA    ASN   35  13.50 +/- 3.57   0.709% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HA    ASN   35  15.90 +/- 3.49   0.614% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.95 +/- 1.14   0.682% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  19.01 +/- 4.80   0.339% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU-  15  13.62 +/- 4.31   2.296% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  17.44 +/- 2.16   0.354% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  15.04 +/- 2.95   0.604% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  12.54 +/- 2.12   1.052% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.55 +/- 2.72   0.250% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  23.67 +/- 2.14   0.117% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.08 +/- 1.93   0.474% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  27.31 +/- 3.82   0.084% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.86 +/- 1.84   0.224% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.32 +/- 0.86   0.884% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  21.93 +/- 3.48   0.160% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  27.25 +/- 3.81   0.088% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.23 +/- 1.77   0.122% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  28.43 +/- 2.42   0.067% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.98 +/- 2.15   0.065% *  0.0013% (0.03   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 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 3.04, residual support = 9.7:
    * O T QB    GLU-  15 - HA    GLU-  15   2.40 +/- 0.16  54.898% * 73.4298% (1.00  10.0 10.00   3.14  10.07) =  96.249%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.58 +/- 0.98   6.398% * 23.6044% (1.00   1.0 10.00   0.64   0.02) =   3.606%  kept
        T HB3   PRO   68 - HA    GLU-  15  12.28 +/- 4.59   7.999% *  0.5880% (0.80   1.0 10.00   0.02   0.02) =   0.112%  kept
        T HB3   PRO   68 - HA    LEU   40  12.01 +/- 2.55   0.841% *  0.4755% (0.65   1.0 10.00   0.02   0.02) =   0.010%
        T QB    GLU-  15 - HA    LEU   40  13.01 +/- 3.51   0.574% *  0.5938% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   GLN   17 - HA    LEU   40  15.47 +/- 3.09   0.263% *  0.5938% (0.81   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   8.65 +/- 1.20   1.415% *  0.0416% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  15  12.92 +/- 3.60   1.387% *  0.0357% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LEU   40  11.43 +/- 2.70   1.693% *  0.0289% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  15  10.96 +/- 3.04   1.606% *  0.0302% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40   9.02 +/- 4.41   2.618% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLU-  15  17.85 +/- 3.97   0.471% *  0.0695% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  11.67 +/- 2.60   0.910% *  0.0336% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  11.45 +/- 2.27   1.016% *  0.0244% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    LEU   40   9.63 +/- 2.10   2.329% *  0.0104% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ASN   35   8.95 +/- 5.02   7.877% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    LEU   40  16.30 +/- 3.65   0.517% *  0.0384% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.37 +/- 2.68   1.394% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.43 +/- 3.71   0.614% *  0.0136% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  21.66 +/- 3.65   0.126% *  0.0589% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.82 +/- 2.11   0.131% *  0.0562% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.56 +/- 2.25   0.900% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  16.50 +/- 3.85   0.455% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.57 +/- 2.89   0.084% *  0.0475% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.23 +/- 1.01   0.632% *  0.0056% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  28.00 +/- 3.26   0.042% *  0.0728% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.19 +/- 3.18   0.290% *  0.0104% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.51 +/- 1.22   1.232% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  16.35 +/- 3.86   0.392% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  17.95 +/- 2.77   0.171% *  0.0136% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.78 +/- 4.11   0.132% *  0.0163% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  20.48 +/- 3.58   0.136% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.47 +/- 0.91   0.130% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  22.19 +/- 4.30   0.170% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  27.98 +/- 4.49   0.063% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  22.97 +/- 3.81   0.092% *  0.0024% (0.03   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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.98, support = 2.19, residual support = 8.74:
    * O T HA    GLU-  15 - QG    GLU-  15   2.61 +/- 0.59  49.561% * 48.5079% (1.00  10.0 10.00   2.12  10.07) =  83.231%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.95 +/- 0.78   9.867% * 42.6796% (0.88   1.0 10.00   2.62   1.68) =  14.579%  kept
          HA    SER   13 - QG    GLU-  14   5.14 +/- 0.55   9.290% *  5.4731% (0.88   1.0  1.00   2.56   6.61) =   1.760%  kept
          HA    SER   13 - QG    GLU-  15   6.43 +/- 1.09   6.784% *  1.6481% (1.00   1.0  1.00   0.68   0.02) =   0.387%  kept
        T HA    LEU   40 - QG    GLU-  15  12.94 +/- 3.09   0.695% *  0.4589% (0.95   1.0 10.00   0.02   0.02) =   0.011%
        T HA    GLU-  15 - QB    MET   11  10.65 +/- 2.07   2.182% *  0.1169% (0.24   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LEU   40 - QG    GLU-  14  15.28 +/- 3.20   0.350% *  0.4037% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLN   17 - QG    GLU-  14   7.21 +/- 1.31   4.657% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG    GLU-  15   6.87 +/- 0.62   3.853% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - QG    GLU-  15  13.50 +/- 3.57   0.541% *  0.1080% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.30 +/- 0.84   4.967% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QG    GLU-  14  15.90 +/- 3.49   0.470% *  0.0950% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  15  11.55 +/- 4.43   1.501% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QB    MET   11  20.24 +/- 4.28   0.186% *  0.1106% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLU-  14  18.15 +/- 3.72   0.426% *  0.0426% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG    GLU-  14  14.52 +/- 3.31   0.459% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  18.12 +/- 2.12   0.223% *  0.0484% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  19.01 +/- 4.80   0.258% *  0.0260% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  17.36 +/- 4.52   0.389% *  0.0165% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  13.75 +/- 2.88   0.833% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  19.12 +/- 5.39   0.349% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  21.48 +/- 3.27   0.140% *  0.0314% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  20.76 +/- 3.07   0.143% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  21.87 +/- 4.52   0.321% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  16.05 +/- 2.78   0.373% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.46 +/- 4.12   0.296% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  21.84 +/- 3.00   0.131% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.28 +/- 3.69   0.220% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  23.89 +/- 4.78   0.108% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  26.48 +/- 4.03   0.072% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  24.88 +/- 6.00   0.132% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  27.65 +/- 5.31   0.085% *  0.0029% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.00 +/- 4.44   0.136% *  0.0016% (0.03   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 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 = 4.11, residual support = 84.3:
    * O T HB2   GLN   17 - HA    GLN   17   2.63 +/- 0.25  77.168% * 89.4855% (1.00  10.0 10.00   4.14  84.98) =  99.251%  kept
        T QB    GLU-  15 - HA    GLN   17   6.70 +/- 0.39   4.953% *  9.3845% (1.00   1.0 10.00   0.21   0.02) =   0.668%  kept
        T HB3   PRO   68 - HA    GLN   17  11.39 +/- 6.06   7.216% *  0.7165% (0.80   1.0 10.00   0.02   0.02) =   0.074%
          HB    ILE   19 - HA    GLN   17   8.33 +/- 0.43   2.649% *  0.0507% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    GLN   17  11.89 +/- 4.80   2.909% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLN   17  11.99 +/- 2.31   1.874% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  18.05 +/- 3.97   0.715% *  0.0846% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLN   17  12.35 +/- 2.08   1.478% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.01 +/- 3.51   0.265% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  24.93 +/- 4.06   0.132% *  0.0887% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  17.37 +/- 3.79   0.412% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  21.29 +/- 3.73   0.228% *  0.0199% (0.22   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 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.9:
    * O T QG    GLN   17 - HA    GLN   17   2.68 +/- 0.52  91.778% * 98.5118% (0.76  10.0 10.00   4.31  84.98) =  99.931%  kept
        T HB    VAL   70 - HA    GLN   17   9.99 +/- 5.08   5.601% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.067%
          HB2   GLU-  25 - HA    GLN   17  17.38 +/- 3.85   0.928% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  18.24 +/- 3.75   0.509% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  18.50 +/- 5.62   0.538% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.99 +/- 3.66   0.360% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  21.33 +/- 3.67   0.287% *  0.0440% (0.34   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 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.202, support = 3.63, residual support = 50.5:
    * O T HA    GLN   17 - HB2   GLN   17   2.63 +/- 0.25  31.053% * 52.5637% (0.24  10.0 10.00   4.14  84.98) =  54.244%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.40 +/- 0.16  39.493% * 33.4027% (0.15  10.0 10.00   3.14  10.07) =  43.840%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.58 +/- 0.98   4.804% *  9.5662% (0.14   1.0 10.00   0.64   0.02) =   1.527%  kept
        T HA    GLN   17 - HB3   PRO   68  11.39 +/- 6.06   3.601% *  1.3188% (0.61   1.0 10.00   0.02   0.02) =   0.158%  kept
        T HA    GLU-  15 - HB3   PRO   68  12.28 +/- 4.59   5.969% *  0.7467% (0.34   1.0 10.00   0.02   0.02) =   0.148%  kept
        T HA    GLN   17 - QB    GLU-  15   6.70 +/- 0.39   1.906% *  0.5900% (0.27   1.0 10.00   0.02   0.02) =   0.037%
          HA    THR   46 - HB3   PRO   68  20.20 +/- 4.45   4.356% *  0.1307% (0.60   1.0  1.00   0.02   0.02) =   0.019%
        T HA    LEU   40 - HB3   PRO   68  12.01 +/- 2.55   0.621% *  0.4950% (0.23   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   13 - QB    GLU-  15   5.95 +/- 0.75   3.100% *  0.0334% (0.15   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - QB    GLU-  15  13.01 +/- 3.51   0.423% *  0.2214% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   37 - QB    GLU-  15  11.50 +/- 4.81   0.999% *  0.0590% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   PRO   68  16.47 +/- 4.23   0.583% *  0.0747% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   PRO   68  15.43 +/- 3.28   0.295% *  0.1319% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   GLN   17  15.47 +/- 3.09   0.195% *  0.1973% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   GLN   17   9.64 +/- 1.84   1.072% *  0.0298% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  13.88 +/- 1.67   0.236% *  0.0800% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   PRO   68  15.80 +/- 1.89   0.161% *  0.0694% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  16.35 +/- 3.39   0.333% *  0.0277% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  16.70 +/- 3.53   0.159% *  0.0526% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  19.86 +/- 4.10   0.134% *  0.0521% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  15.63 +/- 2.35   0.171% *  0.0358% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  15.97 +/- 2.65   0.157% *  0.0319% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  21.57 +/- 2.91   0.071% *  0.0585% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  18.33 +/- 2.17   0.107% *  0.0310% (0.14   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 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 = 0.22, support = 4.01, residual support = 74.5:
    * O T QG    GLN   17 - HB2   GLN   17   2.40 +/- 0.10  64.872% * 38.1757% (0.18  10.0 10.00   4.46  84.98) =  87.483%  kept
        T HB    VAL   70 - HB3   PRO   68   7.23 +/- 1.13   5.676% * 52.0547% (0.51   1.0 10.00   0.99   1.02) =  10.437%  kept
        T QG    GLN   17 - QB    GLU-  15   5.67 +/- 1.15  10.128% *  4.4937% (0.21   1.0 10.00   0.21   0.02) =   1.608%  kept
        T HG2   GLU- 100 - HB3   PRO   68  17.50 +/- 6.65  10.453% *  0.8108% (0.39   1.0 10.00   0.02   0.02) =   0.299%  kept
        T QG    GLN   17 - HB3   PRO   68  10.96 +/- 4.98   3.305% *  0.9578% (0.46   1.0 10.00   0.02   0.02) =   0.112%  kept
        T HB    VAL   70 - QB    GLU-  15  10.96 +/- 2.94   1.138% *  0.4683% (0.23   1.0 10.00   0.02   0.02) =   0.019%
        T HB    VAL   70 - HB2   GLN   17  11.27 +/- 3.85   1.096% *  0.4172% (0.20   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   GLU-  25 - HB2   GLN   17  16.29 +/- 4.41   1.061% *  0.3232% (0.16   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   GLU-  25 - QB    GLU-  15  16.35 +/- 3.05   0.333% *  0.3627% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   GLU- 100 - QB    GLU-  15  16.87 +/- 3.80   0.290% *  0.3627% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  25 - HB3   PRO   68  24.22 +/- 2.80   0.075% *  0.8108% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   GLU- 100 - HB2   GLN   17  20.77 +/- 3.51   0.132% *  0.3232% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HB3   PRO   68  17.25 +/- 2.81   0.228% *  0.1242% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  19.98 +/- 3.05   0.177% *  0.0710% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  18.65 +/- 2.26   0.152% *  0.0556% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  18.90 +/- 2.72   0.155% *  0.0495% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  19.27 +/- 3.46   0.152% *  0.0428% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  18.22 +/- 5.09   0.201% *  0.0283% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.77 +/- 3.54   0.159% *  0.0317% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  21.35 +/- 2.40   0.102% *  0.0191% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  22.36 +/- 3.51   0.114% *  0.0170% (0.08   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 84.6:
    * O T HA    GLN   17 - QG    GLN   17   2.68 +/- 0.52  55.625% * 98.3807% (0.76  10.0 10.00   4.31  84.98) =  99.600%  kept
          HA    GLU-  15 - QG    GLN   17   5.02 +/- 1.13  22.509% *  0.9245% (0.43   1.0  1.00   0.33   0.02) =   0.379%  kept
        T HA    GLN   17 - HB    VAL   70   9.99 +/- 5.08   3.088% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.011%
          HA    SER   13 - QG    GLN   17   8.66 +/- 1.80   3.757% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   37 - QG    GLN   17  14.97 +/- 3.27   0.545% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   8.00 +/- 1.86   4.219% *  0.0122% (0.09   1.0  1.00   0.02   0.48) =   0.001%
          HA    THR   46 - QG    GLN   17  17.74 +/- 4.18   0.423% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   17  14.24 +/- 2.61   0.617% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG    GLN   17  13.76 +/- 2.83   0.817% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB    VAL   70   7.79 +/- 1.72   3.371% *  0.0076% (0.06   1.0  1.00   0.02  35.75) =   0.000%
          HA    PRO   58 - QG    GLN   17  14.70 +/- 2.90   0.488% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  11.27 +/- 3.23   1.701% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  15.86 +/- 2.60   1.401% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.67 +/- 1.61   0.550% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.70 +/- 2.38   0.371% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.30 +/- 1.61   0.520% *  0.0106% (0.08   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 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.37, residual support = 83.2:
    * O T HB2   GLN   17 - QG    GLN   17   2.40 +/- 0.10  59.372% * 87.9620% (0.76  10.0 10.00   4.46  84.98) =  97.874%  kept
        T QB    GLU-  15 - QG    GLN   17   5.67 +/- 1.15  11.804% *  9.2247% (0.76   1.0 10.00   0.21   0.02) =   2.041%  kept
        T HB3   PRO   68 - QG    GLN   17  10.96 +/- 4.98   2.997% *  0.7043% (0.61   1.0 10.00   0.02   0.02) =   0.040%
        T HB3   GLU-  25 - QG    GLN   17  15.66 +/- 3.98   1.064% *  0.8321% (0.72   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   PRO   68 - HB    VAL   70   7.23 +/- 1.13   5.125% *  0.1443% (0.13   1.0 10.00   0.02   1.02) =   0.014%
        T QB    GLU-  15 - HB    VAL   70  10.96 +/- 2.94   1.189% *  0.1802% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HB    VAL   70  11.27 +/- 3.85   1.000% *  0.1802% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - QG    GLN   17   7.54 +/- 1.51   3.369% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG    GLN   17  11.54 +/- 3.86   1.415% *  0.0428% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QG    GLN   17  10.73 +/- 2.68   1.497% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB    VAL   70   6.62 +/- 1.22   4.218% *  0.0088% (0.08   1.0  1.00   0.02   1.02) =   0.001%
        T HB3   GLU- 100 - QG    GLN   17  19.58 +/- 3.45   0.144% *  0.1958% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLU-  25 - HB    VAL   70  20.07 +/- 1.88   0.116% *  0.1704% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70   9.88 +/- 3.23   1.745% *  0.0102% (0.09   1.0  1.00   0.02   0.16) =   0.000%
          HB2   GLN   30 - QG    GLN   17  11.25 +/- 2.11   0.884% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  15.62 +/- 4.22   0.312% *  0.0401% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  18.54 +/- 3.14   0.170% *  0.0569% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.96 +/- 3.66   0.091% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.14 +/- 1.94   0.721% *  0.0074% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.37 +/- 3.65   0.312% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.54 +/- 3.06   0.399% *  0.0117% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  10.96 +/- 1.89   1.153% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.88 +/- 2.85   0.777% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.34 +/- 3.24   0.126% *  0.0179% (0.16   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 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 = 76.6:
    * O T HB    VAL   18 - HA    VAL   18   2.71 +/- 0.24  87.241% * 99.6862% (1.00  10.0 10.00   3.55  76.66) =  99.988%  kept
          HB2   LEU   67 - HA    VAL   18   9.34 +/- 5.89   7.707% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.008%
          HB3   ARG+  54 - HA    VAL   18  20.90 +/- 5.55   2.181% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HA    VAL   18  12.68 +/- 3.70   1.628% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    VAL   18  17.52 +/- 3.39   0.662% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.04 +/- 3.25   0.581% *  0.0524% (0.53   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.5:
    * O T QG1   VAL   18 - HA    VAL   18   2.28 +/- 0.27  88.634% * 96.9564% (1.00  10.0 10.00   4.12  76.66) =  99.849%  kept
          QD1   LEU   71 - HA    VAL   18   8.32 +/- 4.69   5.140% *  1.8792% (0.84   1.0  1.00   0.46   0.02) =   0.112%  kept
        T QG1   VAL   70 - HA    VAL   18   8.33 +/- 3.23   3.338% *  0.9504% (0.98   1.0 10.00   0.02   0.02) =   0.037%
          HB3   LEU   63 - HA    VAL   18  10.47 +/- 3.43   1.833% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    VAL   18  14.26 +/- 3.00   0.621% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  18.62 +/- 3.28   0.254% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  19.65 +/- 2.71   0.180% *  0.0192% (0.20   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 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.986, support = 4.12, residual support = 73.9:
    * O T QG2   VAL   18 - HA    VAL   18   2.89 +/- 0.34  67.098% * 85.3490% (1.00  10.0 10.00   4.12  76.66) =  94.896%  kept
          QD1   ILE   19 - HA    VAL   18   4.70 +/- 0.89  22.858% * 13.3341% (0.73   1.0  1.00   4.30  22.78) =   5.051%  kept
        T QG1   VAL   41 - HA    VAL   18   9.75 +/- 2.62   3.854% *  0.6523% (0.76   1.0 10.00   0.02   0.02) =   0.042%
        T QD2   LEU  104 - HA    VAL   18  15.06 +/- 2.50   0.708% *  0.4832% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HA    VAL   18  11.35 +/- 4.20   2.687% *  0.0788% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   18  13.22 +/- 4.01   1.395% *  0.0837% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  12.38 +/- 2.14   1.401% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.7:
    * O T HA    VAL   18 - HB    VAL   18   2.71 +/- 0.24  90.900% * 99.3791% (1.00  10.0 10.00   3.55  76.66) =  99.993%  kept
          HA    VAL   70 - HB    VAL   18  10.76 +/- 4.75   3.110% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    VAL   18  15.38 +/- 2.84   1.275% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  15.85 +/- 2.27   0.838% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB    VAL   18  19.52 +/- 6.80   1.028% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HB    VAL   18  17.11 +/- 2.57   1.402% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB    VAL   18  16.81 +/- 3.40   0.512% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  24.57 +/- 7.48   0.175% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  21.22 +/- 5.46   0.609% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  25.64 +/- 5.87   0.150% *  0.0484% (0.49   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 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 = 76.6:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.02  88.941% * 99.5994% (1.00  10.0 10.00   3.43  76.66) =  99.990%  kept
          QD1   LEU   71 - HB    VAL   18   9.99 +/- 4.78   5.614% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   70 - HB    VAL   18   9.28 +/- 3.64   2.207% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB    VAL   18  10.40 +/- 4.52   2.344% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB    VAL   18  14.31 +/- 3.31   0.447% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  19.63 +/- 4.11   0.304% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  19.49 +/- 3.34   0.143% *  0.0197% (0.20   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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 76.3:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.01  90.306% * 86.8290% (1.00  10.0 10.00   3.24  76.66) =  99.404%  kept
          QD1   ILE   19 - HB    VAL   18   6.46 +/- 0.78   3.884% * 11.8312% (0.73   1.0  1.00   3.75  22.78) =   0.583%  kept
        T QG1   VAL   41 - HB    VAL   18  11.15 +/- 2.70   0.957% *  0.6636% (0.76   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU  104 - HB    VAL   18  16.07 +/- 3.15   0.394% *  0.4916% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  12.48 +/- 4.80   1.395% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    VAL   18  11.97 +/- 4.51   0.998% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  13.87 +/- 2.65   2.065% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.93 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 = 76.6:
    * O T HA    VAL   18 - QG1   VAL   18   2.28 +/- 0.27  90.685% * 97.2871% (1.00  10.0 10.00   4.12  76.66) =  99.961%  kept
        T HA    VAL   70 - QG1   VAL   18   8.84 +/- 4.06   3.542% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.027%
        T HA    SER   48 - QG1   VAL   18  15.73 +/- 5.97   0.729% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   SER   82 - QG1   VAL   18  19.74 +/- 6.91   0.255% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG1   VAL   18  12.26 +/- 1.93   0.868% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   18  13.60 +/- 2.22   1.877% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  12.77 +/- 1.75   0.801% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  13.88 +/- 2.78   0.619% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  17.23 +/- 4.98   0.441% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  20.59 +/- 5.68   0.182% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 76.5:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.02  81.306% * 98.3984% (1.00  10.0 10.00   3.43  76.66) =  99.734%  kept
          HB2   LEU   67 - QG1   VAL   18   8.44 +/- 5.45  15.358% *  1.3801% (0.90   1.0  1.00   0.31   0.02) =   0.264%  kept
          HB3   ARG+  54 - QG1   VAL   18  16.32 +/- 5.09   0.857% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QG1   VAL   18  13.76 +/- 3.58   0.963% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG1   VAL   18  11.64 +/- 3.27   0.995% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.55 +/- 3.50   0.521% *  0.0518% (0.53   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 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 = 0.996, support = 4.0, residual support = 75.9:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.06  83.712% * 85.3152% (1.00  10.0 10.00   4.00  76.66) =  98.586%  kept
          QD1   ILE   19 - QG1   VAL   18   5.15 +/- 0.74   7.533% * 13.3684% (0.73   1.0  1.00   4.32  22.78) =   1.390%  kept
        T QG1   VAL   41 - QG1   VAL   18   8.84 +/- 2.33   1.622% *  0.6520% (0.76   1.0 10.00   0.02   0.02) =   0.015%
        T QD2   LEU  104 - QG1   VAL   18  13.00 +/- 2.18   0.473% *  0.4830% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - QG1   VAL   18   9.22 +/- 4.28   2.672% *  0.0788% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QG1   VAL   18   9.88 +/- 4.37   2.025% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.71 +/- 2.35   1.963% *  0.0190% (0.22   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 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.5:
    * O T HA    VAL   18 - QG2   VAL   18   2.89 +/- 0.34  56.917% * 95.2362% (1.00  10.0 10.00   4.12  76.66) =  99.759%  kept
          HA    LYS+  33 - QG1   VAL   41   8.45 +/- 1.73   3.173% *  2.8173% (0.72   1.0  1.00   0.82   0.02) =   0.164%  kept
        T HA    VAL   18 - QG1   VAL   41   9.75 +/- 2.62   3.209% *  0.7278% (0.76   1.0 10.00   0.02   0.02) =   0.043%
          HA    VAL   70 - QG1   VAL   41   6.71 +/- 1.78  10.765% *  0.0500% (0.52   1.0  1.00   0.02   2.61) =   0.010%
          HA    VAL   70 - QG2   VAL   18   9.51 +/- 3.45   3.392% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   41   9.80 +/- 2.23   2.054% *  0.0726% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   8.01 +/- 2.40   4.326% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG2   VAL   18  13.05 +/- 2.76   1.305% *  0.0950% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   18  13.54 +/- 2.29   1.133% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   18 - QD2   LEU  104  15.06 +/- 2.50   0.635% *  0.1463% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG2   VAL   18  13.64 +/- 2.74   1.176% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  14.66 +/- 2.52   1.679% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QG2   VAL   18  15.80 +/- 5.55   1.001% *  0.0692% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  18.60 +/- 4.56   0.446% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   41  14.89 +/- 2.37   0.609% *  0.0500% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  20.26 +/- 6.19   0.299% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QG2   VAL   18  17.12 +/- 4.75   1.042% *  0.0265% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD2   LEU  104  11.28 +/- 3.59   2.090% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.59 +/- 2.03   0.292% *  0.0529% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.52 +/- 3.15   0.803% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  21.16 +/- 4.80   0.228% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  19.36 +/- 2.91   0.266% *  0.0354% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.15 +/- 1.94   0.616% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.23 +/- 2.83   1.003% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  15.03 +/- 2.62   0.530% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.04 +/- 2.30   0.210% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.49 +/- 5.26   0.261% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  20.50 +/- 3.53   0.234% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  21.82 +/- 1.68   0.155% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.86 +/- 1.87   0.151% *  0.0041% (0.04   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.24, residual support = 76.4:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.01  74.813% * 92.8722% (1.00  10.0 10.00   3.24  76.66) =  99.542%  kept
          HB2   LEU   40 - QG1   VAL   41   5.17 +/- 0.26   5.327% *  5.7389% (0.26   1.0  1.00   4.74  20.73) =   0.438%  kept
        T HB    VAL   18 - QG1   VAL   41  11.15 +/- 2.70   0.792% *  0.7098% (0.76   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU   67 - QG2   VAL   18   8.73 +/- 5.09   4.454% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ARG+  54 - QG2   VAL   18  16.07 +/- 4.95   1.511% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QG2   VAL   18  13.28 +/- 3.66   2.162% *  0.0452% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QG1   VAL   41   9.12 +/- 2.19   1.532% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   18 - QD2   LEU  104  16.07 +/- 3.15   0.327% *  0.1427% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD2   LEU  104   7.91 +/- 3.59   6.218% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.64 +/- 2.84   0.471% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  12.44 +/- 2.50   0.524% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  13.73 +/- 2.35   0.444% *  0.0373% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  20.12 +/- 3.12   0.137% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.02 +/- 3.63   0.578% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  17.66 +/- 2.35   0.204% *  0.0345% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  13.97 +/- 1.84   0.308% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  22.16 +/- 2.33   0.075% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  19.49 +/- 2.43   0.123% *  0.0069% (0.07   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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.966, support = 4.04, residual support = 81.5:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  49.744% * 90.6029% (1.00  10.0 10.00   4.00  76.66) =  96.327%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.76 +/- 0.42  24.422% *  6.7767% (0.07  10.0 10.00   5.34 216.16) =   3.537%  kept
          QD1   LEU   71 - QG1   VAL   41   6.09 +/- 2.08   9.878% *  0.4543% (0.64   1.0  1.00   0.16   0.81) =   0.096%
        T QG1   VAL   18 - QG1   VAL   41   8.84 +/- 2.33   0.984% *  0.6924% (0.76   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   LEU  104 - QG1   VAL   41   9.06 +/- 1.83   1.099% *  0.3370% (0.37   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   70 - QG1   VAL   41   6.52 +/- 1.34   2.431% *  0.0679% (0.75   1.0  1.00   0.02   2.61) =   0.004%
          QD1   LEU   71 - QG2   VAL   18   8.63 +/- 3.47   1.675% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QG2   VAL   18   8.20 +/- 2.66   1.335% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QG2   VAL   18  16.52 +/- 2.94   0.238% *  0.4410% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QG2   VAL   18   8.82 +/- 3.26   1.400% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QD2   LEU  104  13.00 +/- 2.18   0.287% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  11.75 +/- 2.89   0.473% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41   9.93 +/- 1.81   0.692% *  0.0476% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU  104  10.58 +/- 3.26   2.292% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG1   VAL   41  12.52 +/- 2.71   0.436% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   9.44 +/- 3.28   1.373% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.61 +/- 4.23   0.404% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.19 +/- 2.87   0.263% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.61 +/- 1.04   0.183% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  16.13 +/- 2.26   0.127% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.06 +/- 0.70   0.266% *  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 = 0.999, support = 5.75, residual support = 171.4:
    * O T HB    ILE   19 - HA    ILE   19   2.88 +/- 0.19  76.478% * 98.7896% (1.00  10.0 10.00   5.75 171.51) =  99.925%  kept
        T HB3   GLU-  25 - HA    ILE   19  12.62 +/- 2.94   6.262% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.063%
          HB2   GLN   17 - HA    ILE   19   5.98 +/- 0.54   9.424% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   8.63 +/- 1.13   3.429% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HA    ILE   19  14.58 +/- 2.40   0.842% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    ILE   19  19.08 +/- 3.89   1.353% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE   19  14.30 +/- 3.43   1.411% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  19.67 +/- 2.80   0.299% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  18.57 +/- 2.61   0.356% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.42 +/- 2.84   0.147% *  0.0481% (0.49   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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 6.28, residual support = 170.5:
    * O T HG12  ILE   19 - HA    ILE   19   3.27 +/- 0.59  63.597% * 95.2264% (1.00  10.0 10.00   6.31 171.51) =  99.376%  kept
        T HG    LEU   73 - HA    ILE   19   8.31 +/- 3.85  10.760% *  3.3064% (0.34   1.0 10.00   0.20   4.64) =   0.584%  kept
        T HG    LEU   80 - HA    ILE   19  18.61 +/- 7.61   0.887% *  0.9334% (0.98   1.0 10.00   0.02   0.02) =   0.014%
          QB    ALA   61 - HA    ILE   19  10.91 +/- 3.08   9.046% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HB3   LYS+  74 - HA    ILE   19   8.65 +/- 4.48   8.985% *  0.0539% (0.57   1.0  1.00   0.02   7.80) =   0.008%
          HB3   LEU   67 - HA    ILE   19  11.83 +/- 3.80   2.246% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HA    ILE   19  13.36 +/- 2.86   1.267% *  0.0501% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ILE   19  18.43 +/- 6.69   0.747% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ILE   19  19.78 +/- 4.49   0.822% *  0.0578% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  20.56 +/- 1.99   0.311% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.55 +/- 1.82   0.939% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  21.76 +/- 3.07   0.395% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 171.3:
    * O T HG13  ILE   19 - HA    ILE   19   3.30 +/- 0.58  71.390% * 98.2804% (1.00  10.0 10.00   5.75 171.51) =  99.906%  kept
        T HG    LEU   71 - HA    ILE   19  10.28 +/- 3.66   5.512% *  0.8814% (0.90   1.0 10.00   0.02   1.17) =   0.069%
        T QG2   ILE   56 - HA    ILE   19  16.52 +/- 3.24   1.460% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          QG2   THR   39 - HA    ILE   19  10.24 +/- 3.22   6.218% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  74 - HA    ILE   19  10.45 +/- 4.36   3.819% *  0.0907% (0.92   1.0  1.00   0.02   7.80) =   0.005%
          QB    ALA   34 - HA    ILE   19   9.49 +/- 1.84   8.796% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HA    ILE   19  18.14 +/- 3.19   0.816% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  17.73 +/- 2.86   0.888% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  19.07 +/- 2.90   0.523% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    ILE   19  22.43 +/- 4.82   0.348% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  24.95 +/- 3.08   0.229% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.11 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 4.93, residual support = 158.1:
    *   T QD1   ILE   19 - HA    ILE   19   3.05 +/- 0.73  58.385% * 84.7340% (1.00 10.00   4.93 171.51) =  90.961%  kept
          QG2   VAL   18 - HA    ILE   19   4.37 +/- 0.75  32.686% * 15.0293% (0.73  1.00   4.89  22.78) =   9.032%  kept
          QD2   LEU  104 - HA    ILE   19  15.84 +/- 2.63   1.295% *  0.0818% (0.97  1.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HA    ILE   19   9.94 +/- 2.39   3.929% *  0.0262% (0.31  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    ILE   19  13.16 +/- 3.06   1.094% *  0.0708% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    ILE   19  11.47 +/- 2.87   1.833% *  0.0412% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  14.25 +/- 2.05   0.778% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.17 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.5:
    * O T HA    ILE   19 - HB    ILE   19   2.88 +/- 0.19  80.160% * 98.6066% (1.00  10.0 10.00   5.75 171.51) =  99.975%  kept
        T HA    GLU-  25 - HB    ILE   19  11.67 +/- 2.15   1.533% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.018%
          HA    THR   26 - HB    ILE   19   8.43 +/- 2.22  17.729% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.006%
        T HA    SER   82 - HB    ILE   19  23.48 +/- 6.34   0.243% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  20.38 +/- 3.70   0.336% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.95, support = 5.02, residual support = 158.7:
    * O T HG12  ILE   19 - HB    ILE   19   2.50 +/- 0.20  71.075% * 73.4523% (1.00  10.0 10.00   5.30 171.51) =  92.313%  kept
        T HG    LEU   73 - HB    ILE   19   6.55 +/- 4.40  19.325% * 21.9559% (0.34   1.0 10.00   1.75   4.64) =   7.503%  kept
          HB3   LYS+  74 - HB    ILE   19   8.84 +/- 4.33   3.049% *  3.0216% (0.57   1.0  1.00   1.45   7.80) =   0.163%  kept
        T HB3   LEU   67 - HB    ILE   19  11.41 +/- 3.94   1.250% *  0.5334% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T HG    LEU   80 - HB    ILE   19  18.07 +/- 7.88   0.461% *  0.7200% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   61 - HB    ILE   19  11.24 +/- 3.00   2.286% *  0.0637% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HB    ILE   19  13.64 +/- 2.92   0.724% *  0.0386% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  17.88 +/- 6.95   0.367% *  0.0561% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.11 +/- 4.46   0.403% *  0.0446% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.83 +/- 2.18   0.665% *  0.0227% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  19.97 +/- 1.97   0.161% *  0.0728% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.78 +/- 3.04   0.236% *  0.0183% (0.25   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 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.95, residual support = 169.7:
    * O T HG13  ILE   19 - HB    ILE   19   2.67 +/- 0.30  75.064% * 75.2986% (1.00  10.0 10.00   5.00 171.51) =  98.900%  kept
        T HG2   LYS+  74 - HB    ILE   19  10.58 +/- 4.35   2.263% * 16.3977% (0.92   1.0 10.00   0.47   7.80) =   0.649%  kept
        T HG    LEU   71 - HB    ILE   19   9.34 +/- 3.60   3.190% *  7.8512% (0.90   1.0 10.00   0.23   1.17) =   0.438%  kept
          QG2   THR   39 - HB    ILE   19   9.01 +/- 3.16   6.381% *  0.0629% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          QB    ALA   34 - HB    ILE   19   7.72 +/- 1.65  10.652% *  0.0168% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HB    ILE   19  16.24 +/- 3.10   0.621% *  0.0712% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    ILE   19  16.04 +/- 2.84   0.632% *  0.0426% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  18.66 +/- 2.97   0.309% *  0.0629% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.21 +/- 2.83   0.120% *  0.1490% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  16.41 +/- 3.08   0.525% *  0.0283% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  21.68 +/- 5.29   0.243% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 4.21, residual support = 165.8:
    * O T QD1   ILE   19 - HB    ILE   19   2.79 +/- 0.42  71.810% * 84.7389% (1.00  10.0 10.00   4.18 171.51) =  96.164%  kept
          QG2   VAL   18 - HB    ILE   19   5.39 +/- 0.84  16.124% * 15.0244% (0.73   1.0  1.00   4.88  22.78) =   3.828%  kept
          QG1   VAL   41 - HB    ILE   19   8.31 +/- 2.59   5.392% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    ILE   19  10.11 +/- 3.39   3.410% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    ILE   19  13.16 +/- 3.11   1.290% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HB    ILE   19  14.22 +/- 2.51   0.863% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  12.67 +/- 2.21   1.111% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.996, support = 6.28, residual support = 170.5:
    * O T HA    ILE   19 - HG12  ILE   19   3.27 +/- 0.59  52.441% * 96.0070% (1.00  10.0 10.00   6.31 171.51) =  99.404%  kept
        T HA    ILE   19 - HG    LEU   73   8.31 +/- 3.85   9.035% *  3.1916% (0.33   1.0 10.00   0.20   4.64) =   0.569%  kept
          HA    CYS   53 - HG    LEU   80  18.65 +/- 5.16   8.608% *  0.0353% (0.37   1.0  1.00   0.02   0.02) =   0.006%
        T HA    ILE   19 - HG    LEU   80  18.61 +/- 7.61   0.746% *  0.3938% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HA    THR   26 - HG12  ILE   19   9.64 +/- 2.46   8.296% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  25 - HG12  ILE   19  13.08 +/- 2.38   2.013% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   82 - HG    LEU   80   7.55 +/- 0.73   6.115% *  0.0148% (0.15   1.0  1.00   0.02   0.49) =   0.002%
          HA    GLU-  25 - HG    LEU   80  16.92 +/- 8.17   2.250% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG    LEU   73  11.40 +/- 3.47   2.208% *  0.0289% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG    LEU   73  17.35 +/- 4.23   1.405% *  0.0281% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73  10.03 +/- 3.46   4.339% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  20.90 +/- 3.73   0.352% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   80  18.20 +/- 8.34   1.577% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  24.94 +/- 5.98   0.197% *  0.0360% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  19.62 +/- 3.28   0.417% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.951, support = 5.04, residual support = 159.4:
    * O T HB    ILE   19 - HG12  ILE   19   2.50 +/- 0.20  60.204% * 76.9454% (1.00  10.0 10.00   5.30 171.51) =  92.737%  kept
        T HB    ILE   19 - HG    LEU   73   6.55 +/- 4.40  16.441% * 22.0208% (0.33   1.0 10.00   1.75   4.64) =   7.248%  kept
          HB2   GLN   17 - HG12  ILE   19   7.12 +/- 1.02   3.478% *  0.0436% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB    ILE   19 - HG    LEU   80  18.07 +/- 7.88   0.390% *  0.3156% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG12  ILE   19   8.04 +/- 1.69   2.457% *  0.0436% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HG12  ILE   19  13.53 +/- 2.67   1.392% *  0.0588% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG12  ILE   19  13.19 +/- 2.98   0.720% *  0.0763% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HG    LEU   73  15.79 +/- 4.43   4.602% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   73  12.77 +/- 3.92   2.426% *  0.0142% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80  17.41 +/- 8.38   1.025% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.00 +/- 4.33   0.853% *  0.0249% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.08 +/- 3.70   1.115% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  19.17 +/- 3.10   0.186% *  0.0763% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.36 +/- 3.19   0.691% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.87 +/- 2.33   0.527% *  0.0249% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  13.37 +/- 3.39   0.698% *  0.0142% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.36 +/- 3.44   0.254% *  0.0316% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  18.20 +/- 2.79   0.207% *  0.0289% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.03 +/- 3.82   0.151% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.44 +/- 4.67   0.276% *  0.0130% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  22.49 +/- 6.12   0.194% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  23.59 +/- 4.09   0.111% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.33 +/- 3.80   0.328% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.30 +/- 4.36   0.268% *  0.0122% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  24.07 +/- 2.84   0.081% *  0.0375% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  22.37 +/- 7.04   0.142% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  16.01 +/- 2.33   0.386% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  20.99 +/- 4.16   0.180% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.79 +/- 4.82   0.116% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.78 +/- 3.94   0.101% *  0.0070% (0.09   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 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 = 0.998, support = 5.24, residual support = 169.4:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  82.936% * 68.8494% (1.00  10.0 10.00   5.30 171.51) =  98.763%  kept
        T HG    LEU   71 - HG12  ILE   19   8.30 +/- 4.05   2.448% * 25.6688% (0.90   1.0 10.00   0.83   1.17) =   1.087%  kept
        T HG13  ILE   19 - HG    LEU   73   8.34 +/- 4.16   1.984% *  4.1286% (0.33   1.0 10.00   0.37   4.64) =   0.142%  kept
          QG2   THR   39 - HG12  ILE   19   8.33 +/- 3.59   2.504% *  0.0575% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   71 - HG    LEU   73   9.84 +/- 1.66   0.608% *  0.2017% (0.29   1.0 10.00   0.02   1.05) =   0.002%
        T HG13  ILE   19 - HG    LEU   80  19.98 +/- 7.46   0.118% *  0.2824% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG12  ILE   19  11.35 +/- 4.30   0.489% *  0.0636% (0.92   1.0  1.00   0.02   7.80) =   0.001%
          QB    ALA   34 - HG12  ILE   19   7.75 +/- 1.58   1.450% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.39 +/- 0.79   0.880% *  0.0208% (0.30   1.0  1.00   0.02  42.01) =   0.000%
        T HG    LEU   71 - HG    LEU   80  21.28 +/- 3.75   0.065% *  0.2533% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.74 +/- 3.23   0.444% *  0.0261% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73  10.20 +/- 1.94   0.609% *  0.0188% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.07 +/- 3.19   0.167% *  0.0651% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  17.56 +/- 4.55   1.012% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.33 +/- 2.99   0.241% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.76 +/- 1.95   0.276% *  0.0236% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   8.46 +/- 2.18   1.260% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  14.42 +/- 3.77   0.607% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  16.60 +/- 3.28   0.172% *  0.0258% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.54 +/- 3.04   0.073% *  0.0575% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.15 +/- 2.16   0.475% *  0.0070% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.18 +/- 2.21   0.167% *  0.0188% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  16.69 +/- 2.50   0.122% *  0.0213% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  18.22 +/- 3.75   0.109% *  0.0236% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.73 +/- 6.40   0.067% *  0.0267% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  16.69 +/- 5.32   0.218% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  17.05 +/- 1.93   0.103% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  22.86 +/- 4.95   0.051% *  0.0172% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  17.63 +/- 3.42   0.116% *  0.0056% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  25.84 +/- 5.52   0.037% *  0.0160% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  24.65 +/- 2.99   0.034% *  0.0136% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.62 +/- 4.25   0.089% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.68 +/- 5.41   0.070% *  0.0056% (0.08   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 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.992, support = 4.26, residual support = 168.3:
    * O T QD1   ILE   19 - HG12  ILE   19   2.14 +/- 0.02  51.625% * 82.1084% (1.00  10.0 10.00   4.27 171.51) =  97.932%  kept
          QG2   VAL   18 - HG12  ILE   19   5.40 +/- 0.92   4.731% * 13.9751% (0.73   1.0  1.00   4.69  22.78) =   1.527%  kept
        T QD1   ILE   19 - HG    LEU   73   7.04 +/- 3.14   7.459% *  2.7295% (0.33   1.0 10.00   0.20   4.64) =   0.470%  kept
          QG1   VAL   43 - HG    LEU   73   6.92 +/- 3.10  10.905% *  0.2148% (0.16   1.0  1.00   0.33   6.06) =   0.054%
          QG2   THR   46 - HG    LEU   73  10.25 +/- 2.59  10.324% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HG12  ILE   19   8.29 +/- 2.76   4.239% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   ILE   19 - HG    LEU   80  16.52 +/- 5.82   0.235% *  0.3368% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   98 - HG12  ILE   19  13.08 +/- 2.59   0.315% *  0.1625% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  14.52 +/- 5.32   0.656% *  0.0666% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG    LEU   73   8.73 +/- 3.76   2.163% *  0.0195% (0.24   1.0  1.00   0.02   0.23) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  10.80 +/- 3.45   0.880% *  0.0400% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   80  10.57 +/- 2.77   0.825% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   80  10.79 +/- 4.45   1.408% *  0.0164% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG12  ILE   19  14.32 +/- 2.41   0.260% *  0.0792% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  14.02 +/- 3.07   0.255% *  0.0686% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   8.15 +/- 2.13   2.043% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  16.41 +/- 7.18   0.276% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  13.95 +/- 2.37   0.253% *  0.0259% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  19.11 +/- 5.44   0.168% *  0.0325% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  10.94 +/- 2.27   0.683% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.49 +/- 4.91   0.297% *  0.0104% (0.13   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 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.5:
    * O T HA    ILE   19 - HG13  ILE   19   3.30 +/- 0.58  76.544% * 98.6722% (1.00  10.0 10.00   5.75 171.51) =  99.974%  kept
        T HA    ILE   19 - HG    LEU   71  10.28 +/- 3.66   5.997% *  0.1414% (0.14   1.0 10.00   0.02   1.17) =   0.011%
        T HA    CYS   53 - HG13  ILE   19  21.46 +/- 3.90   0.505% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.006%
          HA    THR   26 - HG13  ILE   19   9.75 +/- 2.07  10.922% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  25 - HG13  ILE   19  13.32 +/- 2.18   2.691% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HA    CYS   53 - HG    LEU   71  21.41 +/- 3.90   0.990% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   82 - HG13  ILE   19  25.40 +/- 5.97   0.251% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  18.18 +/- 2.28   0.646% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.29 +/- 2.38   1.283% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  26.52 +/- 2.64   0.172% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 1.0, support = 5.0, residual support = 171.5:
    * O T HB    ILE   19 - HG13  ILE   19   2.67 +/- 0.30  66.551% * 98.7569% (1.00  10.0 10.00   5.00 171.51) =  99.978%  kept
        T HB    ILE   19 - HG    LEU   71   9.34 +/- 3.60   2.844% *  0.1416% (0.14   1.0 10.00   0.02   1.17) =   0.006%
          HB2   GLN   17 - HG13  ILE   19   7.12 +/- 1.36   5.947% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HG13  ILE   19   7.92 +/- 1.55   4.087% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HG13  ILE   19  13.77 +/- 2.32   1.338% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG13  ILE   19  13.38 +/- 2.82   0.924% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71   8.96 +/- 5.22   8.857% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  24.63 +/- 2.69   0.101% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG13  ILE   19  19.67 +/- 3.02   0.234% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  11.07 +/- 5.30   2.732% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.75 +/- 3.61   0.528% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.21 +/- 3.52   0.912% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  10.74 +/- 1.36   1.281% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  23.70 +/- 4.07   0.149% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  18.74 +/- 2.82   0.256% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  18.39 +/- 3.81   0.434% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.39 +/- 1.59   1.520% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  17.59 +/- 4.29   0.726% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.36 +/- 2.07   0.210% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  19.75 +/- 3.48   0.367% *  0.0058% (0.06   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 171.5:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  86.423% * 97.7565% (1.00  10.0 10.00   5.30 171.51) =  99.983%  kept
        T HG    LEU   73 - HG13  ILE   19   8.34 +/- 4.16   2.067% *  0.3335% (0.34   1.0 10.00   0.02   4.64) =   0.008%
        T HG12  ILE   19 - HG    LEU   71   8.30 +/- 4.05   2.553% *  0.1401% (0.14   1.0 10.00   0.02   1.17) =   0.004%
        T HG    LEU   80 - HG13  ILE   19  19.98 +/- 7.46   0.123% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HG13  ILE   19  11.57 +/- 3.30   0.910% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HG13  ILE   19  10.07 +/- 4.28   0.998% *  0.0553% (0.57   1.0  1.00   0.02   7.80) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  11.02 +/- 4.28   0.674% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG    LEU   71   9.84 +/- 1.66   0.634% *  0.0478% (0.05   1.0 10.00   0.02   1.05) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.19 +/- 3.04   0.342% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.92 +/- 1.51   1.150% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  18.98 +/- 4.93   0.167% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  16.52 +/- 6.15   1.127% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  21.28 +/- 3.75   0.068% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.48 +/- 2.48   0.260% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  19.76 +/- 6.57   0.102% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.05 +/- 2.34   0.615% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  20.85 +/- 2.17   0.057% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.88 +/- 2.00   0.448% *  0.0079% (0.08   1.0  1.00   0.02   0.58) =   0.000%
          QG    LYS+  66 - HG    LEU   71  12.03 +/- 1.76   0.361% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  11.35 +/- 3.47   0.585% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.37 +/- 3.38   0.071% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.92 +/- 2.89   0.075% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  20.91 +/- 2.65   0.060% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  18.14 +/- 4.81   0.130% *  0.0035% (0.04   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 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 = 0.996, support = 4.18, residual support = 169.4:
    * O T QD1   ILE   19 - HG13  ILE   19   2.14 +/- 0.02  65.961% * 84.5706% (1.00  10.0 10.00   4.17 171.51) =  98.576%  kept
          QG2   VAL   18 - HG13  ILE   19   5.55 +/- 1.00   5.290% * 15.0292% (0.73   1.0  1.00   4.89  22.78) =   1.405%  kept
        T QD1   ILE   19 - HG    LEU   71   6.77 +/- 2.91   6.268% *  0.1212% (0.14   1.0 10.00   0.02   1.17) =   0.013%
          QG1   VAL   41 - HG13  ILE   19   8.47 +/- 2.45   4.457% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HG    LEU   71  12.39 +/- 3.73   5.587% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  11.19 +/- 3.29   0.848% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG13  ILE   19  14.54 +/- 2.55   0.331% *  0.0816% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   7.01 +/- 2.39   6.363% *  0.0037% (0.04   1.0  1.00   0.02   0.81) =   0.000%
          QG2   THR   46 - HG13  ILE   19  14.42 +/- 3.07   0.294% *  0.0706% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.61 +/- 4.04   1.867% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71  10.52 +/- 2.44   1.424% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.32 +/- 2.47   0.355% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  15.45 +/- 2.00   0.219% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.56 +/- 3.11   0.735% *  0.0024% (0.03   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 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 171.5:
    *   T HA    ILE   19 - QD1   ILE   19   3.05 +/- 0.73  76.387% * 99.7561% (1.00 10.00   4.93 171.51) =  99.989%  kept
          HA    THR   26 - QD1   ILE   19   7.76 +/- 1.96  19.642% *  0.0249% (0.25  1.00   0.02   0.02) =   0.006%
          HA    GLU-  25 - QD1   ILE   19  10.90 +/- 1.76   2.742% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    CYS   53 - QD1   ILE   19  18.08 +/- 3.46   0.814% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  21.02 +/- 4.60   0.415% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.18, residual support = 171.3:
    * O T HB    ILE   19 - QD1   ILE   19   2.79 +/- 0.42  68.905% * 98.8614% (1.00  10.0 10.00   4.18 171.51) =  99.864%  kept
          HB2   GLN   17 - QD1   ILE   19   6.23 +/- 1.23  12.292% *  0.6633% (0.57   1.0  1.00   0.24   0.02) =   0.120%  kept
          QB    GLU-  15 - QD1   ILE   19   6.40 +/- 1.76  11.343% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.009%
          HG2   PRO   68 - QD1   ILE   19  11.33 +/- 2.47   2.030% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QD1   ILE   19  11.27 +/- 1.86   1.374% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - QD1   ILE   19  16.57 +/- 2.84   0.496% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE   19  11.09 +/- 2.77   2.067% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QD1   ILE   19  16.90 +/- 3.33   0.723% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  15.84 +/- 2.67   0.557% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  20.80 +/- 2.56   0.212% *  0.0481% (0.49   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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.27, residual support = 171.4:
    * O T HG12  ILE   19 - QD1   ILE   19   2.14 +/- 0.02  76.939% * 97.8860% (1.00  10.0 10.00   4.27 171.51) =  99.936%  kept
        T HG    LEU   73 - QD1   ILE   19   7.04 +/- 3.14  10.442% *  0.3339% (0.34   1.0 10.00   0.02   4.64) =   0.046%
          QB    ALA   61 - QD1   ILE   19   9.91 +/- 2.95   5.402% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.006%
        T HG    LEU   80 - QD1   ILE   19  16.52 +/- 5.82   0.340% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LEU   98 - QD1   ILE   19  11.24 +/- 1.77   0.665% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QD1   ILE   19   9.47 +/- 3.22   1.950% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   ILE   19   8.56 +/- 2.98   1.859% *  0.0554% (0.57   1.0  1.00   0.02   7.80) =   0.001%
          QG    LYS+  66 - QD1   ILE   19  11.27 +/- 2.61   1.232% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   ILE   19  15.98 +/- 4.37   0.500% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  16.43 +/- 5.00   0.279% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.55 +/- 1.83   0.154% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  16.94 +/- 2.96   0.239% *  0.0244% (0.25   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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.17, residual support = 171.3:
    * O T HG13  ILE   19 - QD1   ILE   19   2.14 +/- 0.02  69.126% * 98.6077% (1.00  10.0 10.00   4.17 171.51) =  99.889%  kept
        T HG    LEU   71 - QD1   ILE   19   6.77 +/- 2.91   6.667% *  0.8843% (0.90   1.0 10.00   0.02   1.17) =   0.086%
          QG2   THR   39 - QD1   ILE   19   6.62 +/- 3.13  16.551% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.020%
          HG2   LYS+  74 - QD1   ILE   19   9.98 +/- 3.15   1.139% *  0.0910% (0.92   1.0  1.00   0.02   7.80) =   0.002%
          QB    ALA   34 - QD1   ILE   19   6.30 +/- 1.70   4.713% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - QD1   ILE   19  13.43 +/- 3.17   0.549% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   19  12.48 +/- 2.62   0.511% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  14.43 +/- 2.92   0.375% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  16.75 +/- 2.18   0.167% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  19.57 +/- 3.98   0.117% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  21.25 +/- 2.79   0.083% *  0.0195% (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 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  98.452% * 99.6998% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          HB3   LEU   31 - HA    ALA   20  13.60 +/- 1.43   0.473% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  16.82 +/- 3.25   0.349% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.97 +/- 1.33   0.248% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  20.84 +/- 3.21   0.153% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.64 +/- 1.96   0.160% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.21 +/- 4.80   0.164% *  0.0135% (0.14   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 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  98.359% * 99.9427% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20  10.11 +/- 3.18   1.435% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    ALA   20  18.50 +/- 2.44   0.206% *  0.0198% (0.20   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 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 = 2.77, residual support = 30.2:
    * O T HB2   CYS   21 - HA    CYS   21   2.56 +/- 0.23  99.190% * 99.9059% (1.00  10.0 10.00   2.77  30.16) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  15.55 +/- 2.62   0.621% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  22.63 +/- 3.21   0.189% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.78, residual support = 30.2:
    * O T HB3   CYS   21 - HA    CYS   21   2.54 +/- 0.20  99.325% * 99.9348% (0.69  10.0 10.00   2.78  30.16) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.66 +/- 2.90   0.675% *  0.0652% (0.45   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 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 = 2.68, residual support = 30.2:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.712% * 99.9348% (0.69  10.0 10.00   2.68  30.16) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  14.38 +/- 3.13   0.288% *  0.0652% (0.45   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 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.68, residual support = 30.2:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.655% * 99.9059% (0.69  10.0 10.00   2.68  30.16) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  14.64 +/- 3.59   0.273% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  21.91 +/- 3.28   0.072% *  0.0566% (0.39   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 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   2.45 +/- 0.15  98.107% * 99.8331% (0.76  10.0 10.00   2.32  35.25) =  99.999%  kept
          HA    LEU   63 - HA    HIS   22  17.87 +/- 2.71   0.747% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HA    HIS   22  22.18 +/- 5.55   1.146% *  0.0425% (0.32   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 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   2.78 +/- 0.29  98.967% * 99.9165% (0.95  10.0 10.00   3.46  35.25) =  99.999%  kept
          HD3   ARG+  54 - HA    HIS   22  21.91 +/- 5.78   1.033% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.34 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   2.45 +/- 0.15  98.758% * 99.7956% (0.76  10.0 10.00   2.32  35.25) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  14.82 +/- 2.99   1.056% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB2   HIS   22  21.24 +/- 2.63   0.186% *  0.1046% (0.79   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 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  99.556% * 99.9165% (0.80  10.0 10.00   4.26  35.25) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  22.70 +/- 6.52   0.444% *  0.0835% (0.67   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 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   2.78 +/- 0.29  97.886% * 99.7956% (0.95  10.0 10.00   3.46  35.25) =  99.998%  kept
          HA    VAL   43 - HB3   HIS   22  14.74 +/- 3.19   1.814% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - HB3   HIS   22  20.81 +/- 2.71   0.300% *  0.1046% (0.99   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 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  99.610% * 99.8331% (0.80  10.0 10.00   4.26  35.25) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  19.19 +/- 3.27   0.136% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  23.10 +/- 5.53   0.254% *  0.0425% (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 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   2.65 +/- 0.48  94.627% * 99.3383% (0.80  10.0 10.00   3.36  19.14) =  99.995%  kept
        T QB    ALA   91 - HA    THR   23  16.89 +/- 3.02   0.649% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   39 - HA    THR   23  15.81 +/- 2.09   0.625% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    THR   23  12.91 +/- 1.28   1.211% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  12.82 +/- 3.18   2.062% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   23  18.06 +/- 3.95   0.637% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.37 +/- 1.52   0.189% *  0.0445% (0.36   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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.617, support = 3.36, residual support = 19.1:
    * O T HA    THR   23 - QG2   THR   23   2.65 +/- 0.48  35.950% * 73.9129% (0.80  10.0 10.00   3.36  19.14) =  64.772%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.02  56.302% * 25.6645% (0.28  10.0  1.00   3.36  19.14) =  35.223%  kept
          HA    LEU   80 - QG2   THR   23  13.80 +/- 7.26   1.591% *  0.0379% (0.41   1.0  1.00   0.02   0.51) =   0.001%
          HA    ASP-  78 - QB    ALA   91   8.72 +/- 2.51   4.502% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QG2   THR   23  14.97 +/- 5.03   0.462% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QG2   THR   39  15.81 +/- 2.09   0.171% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QB    ALA   91  16.89 +/- 3.02   0.158% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.17 +/- 1.51   0.398% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  20.21 +/- 1.83   0.075% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  15.90 +/- 2.35   0.178% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.40 +/- 3.00   0.100% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  18.39 +/- 2.70   0.114% *  0.0027% (0.03   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 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 = 64.8:
    * O T QG1   VAL   24 - HA    VAL   24   3.00 +/- 0.40  86.776% * 99.7332% (1.00  10.0 10.00   3.42  64.79) =  99.993%  kept
          HG13  ILE  119 - HA    VAL   24  20.49 +/- 5.04   8.560% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   31 - HA    VAL   24   9.75 +/- 0.60   2.901% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  16.28 +/- 3.57   1.134% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    VAL   24  23.58 +/- 6.07   0.628% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.12 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 64.8:
    * O T HA    VAL   24 - QG1   VAL   24   3.00 +/- 0.40  97.199% * 99.8757% (1.00  10.0 10.00   3.42  64.79) =  99.999%  kept
          HA    LYS+  38 - QG1   VAL   24  16.94 +/- 1.26   0.594% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  14.85 +/- 3.05   1.639% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  18.76 +/- 3.04   0.569% *  0.0375% (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 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 = 5.27, residual support = 127.3:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.08  91.234% * 99.2829% (1.00  10.0 10.00   5.27 127.34) =  99.993%  kept
        T HB2   GLU-  25 - HA    SER   82  21.47 +/- 8.19   0.818% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HA    GLU-  25  15.58 +/- 3.62   1.705% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    GLU-  25  19.93 +/- 4.97   3.594% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU-  25  18.81 +/- 2.15   0.431% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  17.42 +/- 3.13   0.589% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  18.02 +/- 3.99   0.639% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.16 +/- 0.93   0.300% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.80 +/- 5.23   0.215% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  24.27 +/- 2.06   0.185% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  30.46 +/- 4.95   0.117% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  27.94 +/- 5.82   0.173% *  0.0056% (0.06   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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.3:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.73 +/- 0.12  87.534% * 98.0202% (1.00  10.0 10.00   5.00 127.34) =  99.952%  kept
        T HB    ILE   19 - HA    GLU-  25  11.67 +/- 2.15   4.706% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.041%
        T HB3   GLU-  25 - HA    SER   82  20.67 +/- 8.30   0.605% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - HA    GLU-  25  16.96 +/- 4.25   1.773% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HA    GLU-  25  16.60 +/- 3.42   0.769% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.18 +/- 0.71   2.527% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  23.48 +/- 6.34   0.195% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    GLU-  25  23.48 +/- 4.63   0.360% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  23.56 +/- 3.91   0.224% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.17 +/- 4.87   0.158% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  23.72 +/- 3.36   0.181% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  23.06 +/- 2.03   0.159% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  27.38 +/- 4.81   0.120% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  26.42 +/- 2.68   0.112% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  27.78 +/- 5.22   0.102% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  23.34 +/- 6.69   0.279% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  28.54 +/- 3.59   0.099% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  28.85 +/- 3.39   0.096% *  0.0193% (0.20   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 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.3:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.38 +/- 0.38  95.121% * 99.4877% (1.00  10.0 10.00   4.31 127.34) =  99.995%  kept
        T HG2   GLU-  25 - HA    SER   82  21.28 +/- 8.25   1.343% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HB3   TRP   87 - HA    SER   82   9.66 +/- 0.71   1.739% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  21.27 +/- 5.81   0.375% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  27.22 +/- 6.89   0.423% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  26.86 +/- 6.58   0.412% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.15 +/- 2.86   0.257% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  21.04 +/- 2.25   0.192% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  29.02 +/- 3.47   0.068% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  28.60 +/- 3.28   0.070% *  0.0090% (0.09   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 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.3:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.31 +/- 0.40  87.324% * 99.2510% (1.00  10.0 10.00   3.73 127.34) =  99.992%  kept
        T HG3   GLU-  25 - HA    SER   82  21.72 +/- 8.41   0.970% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HA    GLU-  25  16.13 +/- 6.01   2.159% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    SER   82   9.82 +/- 0.66   3.890% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    GLU-  25  17.01 +/- 1.74   0.732% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  26.28 +/- 4.49   0.327% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  24.72 +/- 5.61   0.930% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  23.08 +/- 4.14   0.491% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.82 +/- 4.24   0.726% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  17.23 +/- 2.95   1.412% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  25.35 +/- 3.14   0.271% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  22.83 +/- 2.72   0.338% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  31.18 +/- 6.67   0.185% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  26.31 +/- 3.60   0.245% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.14 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.3:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.08  81.483% * 99.2383% (1.00  10.0 10.00   5.27 127.34) =  99.974%  kept
          HA    ILE   19 - HB2   GLU-  25  11.88 +/- 3.03  17.503% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.020%
        T HA    SER   82 - HB2   GLU-  25  21.47 +/- 8.19   0.747% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB2   GLU-  25  25.06 +/- 4.81   0.267% *  0.0682% (0.69   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 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 = 5.27, residual support = 127.3:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  95.266% * 97.2368% (1.00  10.0 10.00   5.27 127.34) =  99.988%  kept
        T HB2   GLN   17 - HB2   GLU-  25  16.29 +/- 4.41   0.676% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HB    ILE   19 - HB2   GLU-  25  11.45 +/- 2.39   2.980% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HB2   GLU-  25  16.35 +/- 3.05   0.190% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   68 - HB2   GLU-  25  24.22 +/- 2.80   0.042% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.35 +/- 0.87   0.697% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  24.40 +/- 4.52   0.068% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  24.23 +/- 3.27   0.047% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  29.14 +/- 4.85   0.033% *  0.0872% (0.90   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 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 127.3:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.72 +/- 0.23  97.326% * 99.8559% (1.00  10.0 10.00   4.58 127.34) =  99.999%  kept
          HG3   GLN  116 - HB2   GLU-  25  27.70 +/- 7.33   1.122% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  27.39 +/- 7.00   0.918% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   GLU-  25  22.77 +/- 5.77   0.374% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.29 +/- 2.62   0.260% *  0.0341% (0.34   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 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.3:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.60 +/- 0.25  97.343% * 99.6757% (1.00  10.0 10.00   4.00 127.34) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  16.76 +/- 6.71   1.231% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB2   GLU-  25  17.77 +/- 1.94   0.377% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  24.89 +/- 5.94   0.571% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.85 +/- 5.03   0.156% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  24.00 +/- 4.04   0.212% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  26.43 +/- 3.09   0.110% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 127.2:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.73 +/- 0.12  88.214% * 98.4268% (1.00  10.0 10.00   5.00 127.34) =  99.881%  kept
        T HA    ILE   19 - HB3   GLU-  25  12.62 +/- 2.94  11.002% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.115%  kept
        T HA    SER   82 - HB3   GLU-  25  20.67 +/- 8.30   0.613% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    CYS   53 - HB3   GLU-  25  25.06 +/- 4.30   0.170% *  0.0676% (0.69   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 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.3:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  98.836% * 98.0062% (1.00  10.0 10.00   5.27 127.34) =  99.993%  kept
        T QG    GLN   17 - HB3   GLU-  25  15.66 +/- 3.98   0.647% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.006%
        T HB    VAL   70 - HB3   GLU-  25  20.07 +/- 1.88   0.074% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  18.90 +/- 3.12   0.104% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  21.81 +/- 4.96   0.288% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.95 +/- 1.11   0.052% *  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 = 127.3:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.93 +/- 0.13  97.862% * 99.8559% (1.00  10.0 10.00   4.44 127.34) =  99.999%  kept
          HG3   GLN  116 - HB3   GLU-  25  28.03 +/- 7.07   0.735% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB3   GLU-  25  22.24 +/- 5.89   0.427% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  27.72 +/- 6.74   0.635% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.39 +/- 2.65   0.341% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.3:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.51 +/- 0.20  97.518% * 99.2075% (1.00  10.0 10.00   3.86 127.34) =  99.997%  kept
        T QG    GLU- 114 - HB3   GLU-  25  24.08 +/- 4.01   0.229% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   GLU-  25  16.36 +/- 6.64   1.452% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB3   GLU-  25  18.45 +/- 1.97   0.296% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  26.72 +/- 4.54   0.137% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  25.27 +/- 5.65   0.253% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  26.14 +/- 2.86   0.114% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 127.3:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.38 +/- 0.38  95.774% * 99.2383% (1.00  10.0 10.00   4.31 127.34) =  99.989%  kept
        T HA    SER   82 - HG2   GLU-  25  21.28 +/- 8.25   1.354% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.009%
          HA    ILE   19 - HG2   GLU-  25  13.83 +/- 2.86   2.719% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   53 - HG2   GLU-  25  25.93 +/- 4.97   0.153% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 127.3:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.72 +/- 0.23  93.878% * 99.7000% (1.00  10.0 10.00   4.58 127.34) =  99.997%  kept
          QG    GLN   17 - HG2   GLU-  25  16.47 +/- 4.10   1.768% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HG2   GLU-  25  21.41 +/- 5.35   3.514% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   GLU-  25  20.51 +/- 2.14   0.284% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  19.27 +/- 2.87   0.348% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.54 +/- 1.14   0.208% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.3:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.93 +/- 0.13  89.840% * 99.4104% (1.00  10.0 10.00   4.44 127.34) =  99.992%  kept
          HB2   GLN   17 - HG2   GLU-  25  17.95 +/- 4.73   3.380% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HG2   GLU-  25  13.18 +/- 2.17   2.818% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG2   GLU-  25  17.48 +/- 3.43   0.795% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  10.63 +/- 1.01   2.209% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   GLU-  25  24.88 +/- 4.99   0.388% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  29.64 +/- 5.41   0.179% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  25.15 +/- 3.98   0.212% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  25.24 +/- 3.41   0.178% *  0.0603% (0.61   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 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 = 127.3:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.291% * 99.6757% (1.00  10.0 10.00   3.31 127.34) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  17.53 +/- 6.01   0.229% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  26.11 +/- 6.25   0.208% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.99 +/- 2.18   0.106% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.59 +/- 5.20   0.049% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  24.47 +/- 4.52   0.080% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.77 +/- 3.61   0.037% *  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 = 3.72, residual support = 127.1:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.31 +/- 0.40  85.692% * 98.4268% (1.00  10.0 10.00   3.73 127.34) =  99.854%  kept
        T HA    ILE   19 - HG3   GLU-  25  14.17 +/- 3.17  12.952% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.139%  kept
        T HA    SER   82 - HG3   GLU-  25  21.72 +/- 8.41   0.963% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HA    CYS   53 - HG3   GLU-  25  26.40 +/- 4.92   0.393% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.3:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.60 +/- 0.25  95.891% * 99.7000% (1.00  10.0 10.00   4.00 127.34) =  99.997%  kept
          QG    GLN   17 - HG3   GLU-  25  16.73 +/- 4.49   2.029% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HG3   GLU-  25  22.44 +/- 5.45   1.386% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  21.39 +/- 2.08   0.216% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  20.19 +/- 3.12   0.316% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.60 +/- 1.04   0.162% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.09 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.3:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.51 +/- 0.20  91.655% * 98.6730% (1.00  10.0 10.00   3.86 127.34) =  99.991%  kept
          HB2   GLN   17 - HG3   GLU-  25  18.24 +/- 5.12   3.843% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.004%
        T QB    GLU- 114 - HG3   GLU-  25  25.57 +/- 4.95   0.218% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HG3   GLU-  25  13.69 +/- 2.35   2.312% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG3   GLU-  25  17.94 +/- 3.52   0.516% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   GLU-  25  11.40 +/- 0.95   1.136% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  30.32 +/- 5.38   0.107% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  25.99 +/- 3.92   0.112% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  26.04 +/- 3.39   0.101% *  0.0598% (0.61   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 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.3:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.606% * 99.8559% (1.00  10.0 10.00   3.31 127.34) = 100.000%  kept
          HG3   GLN  116 - HG3   GLU-  25  29.32 +/- 7.48   0.131% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HG3   GLU-  25  23.46 +/- 5.93   0.083% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  28.99 +/- 7.16   0.120% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.72 +/- 3.04   0.061% *  0.0341% (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 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 = 3.25, residual support = 34.8:
    * O T HB    THR   26 - HA    THR   26   3.02 +/- 0.04  98.918% * 99.8279% (1.00  10.0 10.00   3.25  34.85) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  20.41 +/- 3.51   0.577% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HA    THR   26  26.66 +/- 5.97   0.505% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.60 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.8:
    * O T QG2   THR   26 - HA    THR   26   2.61 +/- 0.13  94.192% * 99.3101% (1.00  10.0 10.00   3.25  34.85) =  99.996%  kept
        T HB3   LEU   40 - HA    THR   26  17.02 +/- 2.34   0.442% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    THR   26  24.56 +/- 5.94   0.720% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  13.97 +/- 2.21   0.691% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  19.21 +/- 3.24   0.319% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.76 +/- 4.80   1.274% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  20.50 +/- 3.02   0.335% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  22.17 +/- 5.47   1.045% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  24.35 +/- 5.33   0.701% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  23.50 +/- 4.52   0.282% *  0.0134% (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 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.8:
    * O T HA    THR   26 - HB    THR   26   3.02 +/- 0.04  83.984% * 99.6617% (1.00  10.0 10.00   3.25  34.85) =  99.994%  kept
          HA    ILE   19 - HB    THR   26   8.15 +/- 1.82   8.025% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - HB    THR   26   7.83 +/- 0.14   4.859% *  0.0308% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA    ALA   34 - HB    THR   26  12.96 +/- 1.56   1.295% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  19.92 +/- 4.87   0.604% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  25.34 +/- 5.00   0.334% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  21.98 +/- 4.42   0.567% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  22.70 +/- 4.38   0.331% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.46 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   2.16 +/- 0.01  95.431% * 99.4369% (1.00  10.0 10.00   3.00  34.85) =  99.997%  kept
        T QB    ALA  120 - HB    THR   26  21.42 +/- 5.53   1.129% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HB    THR   26  12.05 +/- 2.80   0.734% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB    THR   26  17.86 +/- 3.37   0.283% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  23.82 +/- 5.64   0.279% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  20.85 +/- 5.01   1.194% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  19.59 +/- 2.75   0.194% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.19 +/- 2.36   0.228% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  23.67 +/- 4.99   0.233% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  21.98 +/- 4.65   0.296% *  0.0135% (0.14   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 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.25, residual support = 34.8:
    * O T HA    THR   26 - QG2   THR   26   2.61 +/- 0.13  70.342% * 98.4944% (1.00  10.0 10.00   3.25  34.85) =  99.944%  kept
          HA    ILE   19 - QG2   THR   26   5.67 +/- 1.73  20.930% *  0.1530% (0.25   1.0  1.00   0.12   0.02) =   0.046%
        T HA    GLU- 114 - QG2   THR   26  20.92 +/- 3.83   0.232% *  0.8227% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   28 - QG2   THR   26   6.60 +/- 0.17   4.523% *  0.0304% (0.31   1.0  1.00   0.02   0.42) =   0.002%
        T HA    LEU  115 - QG2   THR   26  18.05 +/- 3.34   0.396% *  0.3360% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QG2   THR   26   9.29 +/- 1.41   2.193% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - QG2   THR   26  15.97 +/- 4.02   1.140% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  19.26 +/- 3.38   0.242% *  0.0479% (0.49   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 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   2.16 +/- 0.01  99.060% * 99.1149% (1.00  10.0 10.00   3.00  34.85) =  99.995%  kept
        T HA    SER  117 - QG2   THR   26  20.76 +/- 4.78   0.513% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASP-  62 - QG2   THR   26  15.22 +/- 2.52   0.427% *  0.0915% (0.92   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 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.2:
    * O T HB2   TRP   27 - HA    TRP   27   2.86 +/- 0.10  98.164% * 99.8554% (1.00  10.0 10.00   4.74 107.19) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  15.00 +/- 4.12   1.528% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   93 - HA    TRP   27  21.11 +/- 2.64   0.308% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.2:
    * O T HB3   TRP   27 - HA    TRP   27   2.24 +/- 0.05  96.313% * 99.7166% (1.00  10.0 10.00   4.76 107.19) =  99.998%  kept
          HB2   PHE   97 - HA    TRP   27  15.88 +/- 3.42   1.230% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HA    TRP   27  14.32 +/- 3.02   1.469% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    TRP   27  17.57 +/- 3.33   0.296% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  16.26 +/- 2.82   0.362% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  15.63 +/- 1.72   0.330% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.2:
    * O T HA    TRP   27 - HB2   TRP   27   2.86 +/- 0.10  98.819% * 99.7755% (1.00  10.0 10.00   4.74 107.19) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  19.77 +/- 3.53   0.451% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.20 +/- 3.17   0.450% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.59 +/- 4.24   0.280% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.2:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  97.566% * 99.7166% (1.00  10.0 10.00   4.97 107.19) =  99.998%  kept
          HB2   PHE   97 - HB2   TRP   27  16.40 +/- 3.92   1.593% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - HB2   TRP   27  15.69 +/- 3.17   0.338% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.24 +/- 3.24   0.232% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.31 +/- 3.42   0.160% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  17.54 +/- 1.78   0.111% *  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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.2:
    * O T HA    TRP   27 - HB3   TRP   27   2.24 +/- 0.05  99.393% * 99.7755% (1.00  10.0 10.00   4.76 107.19) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  19.36 +/- 3.57   0.238% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.30 +/- 3.00   0.233% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.97 +/- 3.84   0.136% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.2:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.309% * 99.8554% (1.00  10.0 10.00   4.97 107.19) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  13.11 +/- 4.09   0.592% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.39 +/- 2.60   0.099% *  0.0999% (1.00   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 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 105.7:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  88.758% * 99.2152% (1.00  10.0 10.00   4.49 105.69) =  99.982%  kept
        T HB2   ASN   35 - HA    ASN   28  11.26 +/- 1.15   1.995% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.010%
          QE    LYS+  33 - HA    ASN   28   8.99 +/- 1.13   4.211% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HA    ASN   28  18.97 +/- 8.28   1.540% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASN   28  18.36 +/- 3.93   0.981% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  18.96 +/- 4.75   1.331% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   28  15.53 +/- 3.71   1.184% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 104.8:
    * O T HB3   ASN   28 - HA    ASN   28   2.58 +/- 0.10  78.768% * 87.0089% (1.00  10.0 10.00   4.19 105.69) =  99.008%  kept
          HG2   GLN   30 - HA    ASN   28   6.61 +/- 0.56   5.260% * 12.9369% (0.92   1.0  1.00   3.22  17.39) =   0.983%  kept
          QE    LYS+ 121 - HA    ASN   28  20.69 +/- 6.08  14.827% *  0.0390% (0.45   1.0  1.00   0.02   0.02) =   0.008%
          HB3   HIS  122 - HA    ASN   28  21.82 +/- 5.38   1.146% *  0.0152% (0.18   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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.46, residual support = 104.7:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  62.089% * 93.0096% (1.00  10.0 10.00   4.49 105.69) =  98.929%  kept
          HA    ALA   34 - HB2   ASN   35   6.26 +/- 0.34   7.382% *  4.4671% (0.29   1.0  1.00   3.26  21.39) =   0.565%  kept
          HA    THR   26 - HB2   ASN   28   4.75 +/- 0.34  17.167% *  1.6745% (0.31   1.0  1.00   1.17   0.42) =   0.492%  kept
        T HA    ASN   28 - HB2   ASN   35  11.26 +/- 1.15   1.378% *  0.2893% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HA1   GLY  101 - HB2   ASN   35  12.18 +/- 5.67   6.943% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HB2   ASN   28  11.79 +/- 0.65   1.105% *  0.0880% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   28  17.32 +/- 5.63   0.801% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   ASN   28  23.26 +/- 4.65   0.342% *  0.0928% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ASN   28  28.49 +/- 6.70   0.317% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  26.38 +/- 5.12   0.190% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  25.51 +/- 4.86   0.162% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  20.24 +/- 6.23   0.466% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  23.91 +/- 4.30   0.230% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.36 +/- 1.03   0.632% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  26.69 +/- 5.34   0.261% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  24.39 +/- 7.02   0.291% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.09 +/- 3.78   0.076% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  27.71 +/- 5.57   0.166% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 105.6:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  93.914% * 91.6903% (1.00  10.0 10.00   5.44 105.69) =  99.867%  kept
          HG2   GLN   30 - HB2   ASN   28   7.21 +/- 0.49   1.418% *  7.9232% (0.92   1.0  1.00   1.87  17.39) =   0.130%  kept
          QE    LYS+ 121 - HB2   ASN   28  22.69 +/- 6.27   3.464% *  0.0411% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   ASN   28 - HB2   ASN   35  11.89 +/- 1.08   0.326% *  0.2852% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  11.90 +/- 1.27   0.349% *  0.0263% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  23.95 +/- 5.71   0.201% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.18 +/- 6.45   0.243% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  21.99 +/- 5.58   0.085% *  0.0050% (0.05   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 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 105.7:
    * O T HA    ASN   28 - HB3   ASN   28   2.58 +/- 0.10  90.016% * 99.4977% (1.00  10.0 10.00   4.19 105.69) =  99.995%  kept
          HA    THR   26 - HB3   ASN   28   6.28 +/- 0.34   6.728% *  0.0307% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA    ALA   34 - HB3   ASN   28  11.46 +/- 0.55   1.075% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB3   ASN   28  16.54 +/- 5.79   0.851% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  23.32 +/- 4.58   0.283% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  28.42 +/- 6.80   0.359% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  26.34 +/- 5.11   0.170% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.01 +/- 4.60   0.137% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  20.57 +/- 6.50   0.382% *  0.0174% (0.18   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 105.7:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.093% * 99.2152% (1.00  10.0 10.00   5.44 105.69) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.89 +/- 1.08   0.341% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.61 +/- 1.30   0.749% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  20.33 +/- 8.64   0.244% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  20.50 +/- 5.27   0.261% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  20.16 +/- 4.18   0.141% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  17.29 +/- 3.94   0.171% *  0.0153% (0.15   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 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 = 4.95, residual support = 92.2:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.88 +/- 0.22  56.496% * 98.3644% (1.00  10.0 10.00   4.96  92.19) =  99.958%  kept
        T HB2   GLU-  29 - HA    LYS+  33   7.79 +/- 0.97   3.479% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   GLU-  29 - HA    GLN   32   8.10 +/- 0.36   2.615% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   PHE   72 - HA    GLU-  29  13.50 +/- 1.76   0.690% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    GLU-  29  13.44 +/- 4.74   8.489% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PHE   72 - HA    LYS+  33  13.11 +/- 2.09   0.816% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    GLU-  29  13.78 +/- 4.58   2.433% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    LYS+  33  11.53 +/- 4.28  12.250% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  15.74 +/- 3.61   0.621% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  12.26 +/- 3.28   1.837% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  23.96 +/- 4.33   0.166% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  19.59 +/- 3.81   0.289% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  12.64 +/- 3.00   1.251% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.33 +/- 3.66   0.169% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.01 +/- 4.36   2.588% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.34 +/- 4.45   1.441% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.49 +/- 3.56   0.971% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.01 +/- 2.25   0.831% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  28.05 +/- 2.67   0.071% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  24.69 +/- 4.84   0.142% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.73 +/- 1.71   0.227% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.10 +/- 3.89   0.541% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.42 +/- 3.34   0.211% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  23.43 +/- 3.34   0.125% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.41 +/- 3.61   0.223% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.74 +/- 2.03   0.143% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  23.38 +/- 3.59   0.131% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  19.68 +/- 1.35   0.193% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.45 +/- 2.69   0.067% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  30.21 +/- 2.18   0.054% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.87 +/- 1.76   0.223% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  25.63 +/- 4.81   0.130% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  27.71 +/- 4.20   0.087% *  0.0121% (0.12   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 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.858, support = 5.18, residual support = 91.0:
      O   HB3   GLU-  29 - HA    GLU-  29   2.62 +/- 0.19  38.044% * 43.8561% (0.80  10.0  1.00   5.22  92.19) =  64.540%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.61 +/- 0.29  16.136% * 54.7697% (1.00  10.0 10.00   5.19  92.19) =  34.187%  kept
          QB    GLU-  36 - HA    LYS+  33   2.90 +/- 0.73  33.037% *  0.9863% (0.13   1.0  1.00   2.70   0.02) =   1.260%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.01 +/- 0.97   1.142% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.007%
          QB    GLU-  36 - HA    GLU-  29   8.62 +/- 1.15   1.180% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  33   6.94 +/- 1.13   2.489% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.32 +/- 0.68   2.865% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.63 +/- 0.46   1.568% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   9.06 +/- 0.49   1.003% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.89 +/- 0.71   1.024% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.24 +/- 0.86   0.256% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.10 +/- 0.80   0.750% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  19.26 +/- 5.03   0.155% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  28.44 +/- 4.86   0.036% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  20.87 +/- 4.60   0.175% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.34 +/- 4.33   0.084% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  29.40 +/- 4.80   0.033% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  31.69 +/- 4.14   0.024% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 92.2:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.72 +/- 0.60  85.273% * 99.0116% (1.00  10.0 10.00   4.69  92.19) =  99.971%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.08 +/- 1.10   4.851% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T HG2   GLU-  29 - HA    GLN   32   7.90 +/- 0.74   4.341% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HA    GLU-  29  23.27 +/- 8.36   0.360% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  23.04 +/- 4.15   0.306% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.16 +/- 2.60   0.274% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.97 +/- 5.11   0.178% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  18.66 +/- 3.35   0.507% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  23.69 +/- 8.53   0.366% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  22.48 +/- 3.74   0.356% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.90 +/- 2.93   0.213% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  26.40 +/- 7.88   0.195% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  22.81 +/- 4.14   0.335% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.29 +/- 3.74   0.760% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.44 +/- 2.62   0.261% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.17 +/- 2.08   0.193% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  19.25 +/- 2.65   0.440% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.70 +/- 4.12   0.150% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.93 +/- 4.60   0.175% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.78 +/- 2.87   0.269% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.12 +/- 1.88   0.196% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.95, residual support = 92.1:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.88 +/- 0.22  85.548% * 98.1508% (1.00  10.0 10.00   4.96  92.19) =  99.915%  kept
        T HA    LYS+  33 - HB2   GLU-  29   7.79 +/- 0.97   5.290% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.059%
        T HA    GLN   32 - HB2   GLU-  29   8.10 +/- 0.36   3.983% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.021%
          HA    VAL   18 - HB2   GLU-  29  12.83 +/- 2.84   2.795% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HB2   GLU-  29  22.73 +/- 8.87   0.770% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  16.32 +/- 1.84   0.563% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  25.36 +/- 5.25   0.517% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  24.61 +/- 4.10   0.226% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  26.58 +/- 6.01   0.178% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  28.16 +/- 4.20   0.129% *  0.0274% (0.28   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 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 = 0.872, support = 4.51, residual support = 92.2:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.755% * 44.1051% (0.80  10.0  1.00   4.53  92.19) =  64.313%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.30 +/- 0.07  30.549% * 55.0806% (1.00  10.0 10.00   4.47  92.19) =  35.686%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  18.61 +/- 5.68   0.123% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   GLU-  29   9.71 +/- 1.11   0.449% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  28.29 +/- 4.90   0.022% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  15.70 +/- 1.15   0.102% *  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 = 4.15, residual support = 92.2:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.88 +/- 0.11  97.862% * 99.6674% (1.00  10.0 10.00   4.15  92.19) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  23.58 +/- 8.28   0.452% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  22.65 +/- 4.14   0.459% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  21.08 +/- 2.46   0.305% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  24.76 +/- 5.27   0.272% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  19.27 +/- 2.80   0.407% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.20 +/- 2.91   0.243% *  0.0249% (0.25   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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.1:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.72 +/- 0.60  86.969% * 98.1508% (1.00  10.0 10.00   4.69  92.19) =  99.920%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.08 +/- 1.10   4.947% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.054%
        T HA    GLN   32 - HG2   GLU-  29   7.90 +/- 0.74   4.428% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.023%
          HA    VAL   18 - HG2   GLU-  29  13.88 +/- 3.21   1.788% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HG2   GLU-  29  22.93 +/- 8.97   0.432% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.24 +/- 1.80   0.615% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  25.19 +/- 4.37   0.271% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  26.31 +/- 5.37   0.217% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  26.92 +/- 6.21   0.169% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.83 +/- 4.19   0.162% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.2:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.11  83.498% * 99.5124% (1.00  10.0 10.00   4.15  92.19) =  99.994%  kept
          QG    GLU-  14 - HG2   GLU-  29  13.43 +/- 4.63   7.314% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HG2   GLU-  29  13.65 +/- 4.62   5.941% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   GLU-  29  17.59 +/- 3.95   0.896% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  14.52 +/- 2.08   0.797% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  24.78 +/- 4.78   0.325% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.79 +/- 4.02   0.253% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  19.81 +/- 3.86   0.360% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  28.68 +/- 2.91   0.099% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.49 +/- 2.14   0.322% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  25.00 +/- 5.00   0.194% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.34 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 4.21, residual support = 92.2:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  77.135% * 55.3193% (1.00  10.0 10.00   4.17  92.19) =  81.330%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.74 +/- 0.25  22.110% * 44.2962% (0.80  10.0 10.00   4.40  92.19) =  18.667%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.00 +/- 1.41   0.529% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HG2   GLU-  29  16.07 +/- 0.95   0.104% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  19.51 +/- 5.22   0.098% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  28.81 +/- 4.97   0.024% *  0.0523% (0.95   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 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 = 0.945, support = 4.86, residual support = 159.5:
    * O T HB2   GLN   30 - HA    GLN   30   2.67 +/- 0.13  53.008% * 53.1933% (1.00  10.0 10.00   4.81 159.47) =  58.842%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.97 +/- 0.58  42.742% * 46.1414% (0.87  10.0 10.00   4.94 159.47) =  41.156%  kept
        T HB2   PRO   93 - HA    GLN   30  22.00 +/- 2.35   0.118% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   30  14.41 +/- 3.10   0.554% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLN   30  10.86 +/- 2.83   1.956% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  22.00 +/- 4.08   0.249% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  26.92 +/- 3.48   0.069% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  12.81 +/- 2.33   0.859% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.04 +/- 2.55   0.281% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.84 +/- 2.16   0.089% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.52 +/- 4.24   0.074% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.986, support = 5.18, residual support = 156.5:
    * O T HB3   GLN   30 - HA    GLN   30   3.00 +/- 0.06  49.247% * 97.5467% (1.00  10.0 10.00   5.25 159.47) =  98.123%  kept
          QB    LYS+  33 - HA    GLN   30   3.18 +/- 0.92  47.097% *  1.9479% (0.25   1.0  1.00   1.60   0.52) =   1.874%  kept
          HB3   LYS+  38 - HA    GLN   30  12.34 +/- 1.25   0.781% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   11 - HA    GLN   30  16.71 +/- 5.36   1.430% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  22.48 +/- 4.24   0.298% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.88 +/- 3.80   0.145% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.81 +/- 1.91   0.221% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  21.31 +/- 4.91   0.220% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.35 +/- 2.34   0.085% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.25 +/- 3.08   0.266% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  27.02 +/- 4.11   0.078% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.32 +/- 4.07   0.132% *  0.0151% (0.15   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 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 158.8:
    * O T HG2   GLN   30 - HA    GLN   30   3.01 +/- 0.56  82.226% * 93.9339% (1.00  10.0 10.00   5.78 159.47) =  99.503%  kept
          HB3   ASN   28 - HA    GLN   30   7.59 +/- 0.16   6.384% *  5.9696% (0.92   1.0  1.00   1.38  17.39) =   0.491%  kept
          HB3   HIS  122 - HA    GLN   30  19.79 +/- 5.24   8.971% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 121 - HA    GLN   30  19.20 +/- 5.69   2.419% *  0.0645% (0.69   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.01 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 = 4.81, residual support = 159.5:
    * O T HA    GLN   30 - HB2   GLN   30   2.67 +/- 0.13  88.489% * 99.6678% (1.00  10.0 10.00   4.81 159.47) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30   8.71 +/- 2.62   6.254% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   37 - HB2   GLN   30   9.01 +/- 1.47   2.778% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  21.22 +/- 7.50   0.614% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  13.14 +/- 2.90   1.054% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.53 +/- 2.70   0.197% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.84 +/- 3.58   0.117% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.21 +/- 3.47   0.259% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  22.55 +/- 5.40   0.239% *  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 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 = 5.05, residual support = 159.5:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  94.167% * 98.9590% (1.00  10.0 10.00   5.05 159.47) =  99.997%  kept
          QB    LYS+  33 - HB2   GLN   30   5.19 +/- 0.78   4.483% *  0.0247% (0.25   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  16.97 +/- 1.97   0.118% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  12.48 +/- 1.59   0.328% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  20.52 +/- 3.86   0.144% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.11 +/- 3.83   0.060% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.64 +/- 3.56   0.070% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  17.75 +/- 5.04   0.283% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.98 +/- 2.35   0.047% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  19.71 +/- 4.72   0.113% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.46 +/- 3.01   0.146% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  24.81 +/- 4.03   0.042% *  0.0305% (0.31   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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 159.1:
    * O T HG2   GLN   30 - HB2   GLN   30   2.87 +/- 0.19  78.253% * 94.4790% (1.00  10.0 10.00   5.58 159.47) =  99.720%  kept
          HB3   ASN   28 - HB2   GLN   30   8.04 +/- 0.54   3.713% *  5.4239% (0.92   1.0  1.00   1.24  17.39) =   0.272%  kept
          HB3   HIS  122 - HB2   GLN   30  18.14 +/- 5.17  16.859% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 121 - HB2   GLN   30  17.86 +/- 5.28   1.174% *  0.0649% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 159.5:
    * O T HA    GLN   30 - HB3   GLN   30   3.00 +/- 0.06  88.373% * 99.5115% (1.00  10.0 10.00   5.25 159.47) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30   9.83 +/- 2.59   4.913% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  21.38 +/- 3.72   0.411% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  20.44 +/- 7.55   0.946% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  13.45 +/- 3.25   1.870% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30  10.09 +/- 1.16   2.634% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.32 +/- 2.86   0.320% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.56 +/- 3.70   0.194% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  22.05 +/- 5.37   0.340% *  0.0154% (0.15   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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.973, support = 5.08, residual support = 159.5:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  76.501% * 53.1733% (1.00  10.0 10.00   5.05 159.47) =  79.959%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.70 +/- 0.21  22.103% * 46.1240% (0.87  10.0  1.00   5.19 159.47) =  20.040%  kept
        T HB2   ARG+  54 - HB3   GLN   30  24.14 +/- 4.21   0.048% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  20.59 +/- 4.05   0.201% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  14.95 +/- 3.02   0.194% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.82 +/- 2.39   0.369% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.72 +/- 2.49   0.123% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.60 +/- 1.92   0.307% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  21.59 +/- 2.34   0.046% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.38 +/- 2.42   0.073% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  24.82 +/- 3.57   0.035% *  0.0118% (0.22   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 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 = 6.03, residual support = 159.0:
    * O T HG2   GLN   30 - HB3   GLN   30   2.50 +/- 0.27  82.471% * 93.9432% (1.00  10.0 10.00   6.04 159.47) =  99.670%  kept
          HB3   ASN   28 - HB3   GLN   30   6.89 +/- 0.26   4.233% *  5.9603% (0.92   1.0  1.00   1.37  17.39) =   0.325%  kept
          HB3   HIS  122 - HB3   GLN   30  18.87 +/- 5.06  12.385% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QE    LYS+ 121 - HB3   GLN   30  18.49 +/- 5.36   0.911% *  0.0645% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 5.78, residual support = 159.5:
    * O T HA    GLN   30 - HG2   GLN   30   3.01 +/- 0.56  86.422% * 99.6678% (1.00  10.0 10.00   5.78 159.47) =  99.996%  kept
          HB    THR   39 - HG2   GLN   30  10.37 +/- 3.08   5.276% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   13 - HG2   GLN   30  12.07 +/- 3.07   2.908% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG2   GLN   30  10.19 +/- 1.91   2.968% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  21.57 +/- 7.33   0.753% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.93 +/- 3.26   0.427% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.22 +/- 4.21   0.323% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  21.68 +/- 4.20   0.622% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  23.38 +/- 4.97   0.300% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.896, support = 6.33, residual support = 159.5:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  79.297% * 46.1414% (0.87  10.0 10.00   6.53 159.47) =  78.403%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.87 +/- 0.19  18.946% * 53.1933% (1.00  10.0 10.00   5.58 159.47) =  21.596%  kept
          HB    ILE  119 - HG2   GLN   30  20.99 +/- 4.60   0.355% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  20.34 +/- 2.26   0.062% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.13 +/- 3.09   0.170% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  11.49 +/- 1.91   0.471% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  10.96 +/- 2.14   0.459% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  25.76 +/- 3.56   0.032% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  16.91 +/- 2.33   0.111% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.60 +/- 4.72   0.060% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.05 +/- 2.35   0.039% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 159.5:
    * O T HB3   GLN   30 - HG2   GLN   30   2.50 +/- 0.27  82.339% * 99.4599% (1.00  10.0 10.00   6.04 159.47) =  99.994%  kept
          QB    LYS+  33 - HG2   GLN   30   5.55 +/- 1.03  13.676% *  0.0248% (0.25   1.0  1.00   0.02   0.52) =   0.004%
          HB3   LYS+  38 - HG2   GLN   30  14.45 +/- 1.66   0.701% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  20.90 +/- 4.54   0.436% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  16.15 +/- 5.34   1.340% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.32 +/- 4.17   0.187% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  23.85 +/- 2.37   0.117% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  19.82 +/- 4.69   0.296% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.49 +/- 2.14   0.246% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.22 +/- 3.57   0.350% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  25.40 +/- 3.76   0.105% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.36 +/- 4.48   0.207% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 231.4:
    * O T HB2   LEU   31 - HA    LEU   31   2.98 +/- 0.07  81.441% * 99.2507% (1.00  10.0 10.00   6.00 231.47) =  99.985%  kept
          HG    LEU   98 - HA    LEU   31  10.26 +/- 3.52   8.741% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HA    LEU   31  10.27 +/- 1.08   2.339% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    LEU   31  12.03 +/- 2.65   1.891% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LEU   31  15.26 +/- 2.90   1.557% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    LEU   31  19.07 +/- 6.27   0.782% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  14.77 +/- 1.71   0.813% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   31  20.30 +/- 4.67   0.859% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  18.05 +/- 4.16   0.658% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  25.04 +/- 3.63   0.179% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  20.74 +/- 4.90   0.387% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.99 +/- 2.59   0.353% *  0.0372% (0.38   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 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HB3   LEU   31 - HA    LEU   31   2.34 +/- 0.09  96.277% * 99.6763% (1.00  10.0 10.00   6.00 231.47) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.68 +/- 1.03   0.862% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.65 +/- 0.75   1.088% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  18.97 +/- 3.30   0.380% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  20.08 +/- 5.25   0.341% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  15.20 +/- 2.63   0.522% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  24.57 +/- 4.64   0.121% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.02 +/- 2.49   0.410% *  0.0135% (0.14   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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.93, residual support = 228.4:
    * O T HG    LEU   31 - HA    LEU   31   3.19 +/- 0.51  54.159% * 93.9026% (0.80  10.0 10.00   6.00 231.47) =  98.652%  kept
          QD2   LEU   73 - HA    LEU   31   6.98 +/- 2.70  11.632% *  5.8847% (0.92   1.0  1.00   1.09   1.44) =   1.328%  kept
          QG1   VAL   41 - HA    LEU   31   4.93 +/- 2.48  33.050% *  0.0292% (0.25   1.0  1.00   0.02   0.02) =   0.019%
          HG3   LYS+ 121 - HA    LEU   31  19.87 +/- 5.42   0.822% *  0.0664% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    LEU   31  18.07 +/- 2.67   0.337% *  0.1170% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 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 = 231.5:
    *   T QD1   LEU   31 - HA    LEU   31   3.78 +/- 0.18 100.000% *100.0000% (1.00 10.00   4.85 231.47) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.31 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.4:
    *   T QD2   LEU   31 - HA    LEU   31   2.67 +/- 0.54  94.106% * 99.6345% (1.00 10.00   5.74 231.47) =  99.989%  kept
        T QG2   VAL   43 - HA    LEU   31   9.26 +/- 2.35   3.414% *  0.2484% (0.25 10.00   0.02   0.02) =   0.009%
          QG2   VAL   83 - HA    LEU   31  15.15 +/- 5.61   1.549% *  0.0723% (0.73  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HA    LEU   31  16.88 +/- 4.56   0.931% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.12 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HA    LEU   31 - HB2   LEU   31   2.98 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.47) = 100.000%  kept
    Distance limit 3.67 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 = 231.5:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.130% * 99.6763% (1.00  10.0 10.00   6.00 231.47) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.54 +/- 0.65   0.660% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.44 +/- 1.02   0.299% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  20.75 +/- 4.05   0.187% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  21.99 +/- 5.83   0.287% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  16.22 +/- 3.26   0.228% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  25.72 +/- 5.23   0.047% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  16.98 +/- 3.01   0.163% *  0.0135% (0.14   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.4:
    * O T HG    LEU   31 - HB2   LEU   31   2.63 +/- 0.29  82.089% * 99.6594% (0.80  10.0 10.00   6.01 231.47) =  99.987%  kept
          QD2   LEU   73 - HB2   LEU   31   8.20 +/- 2.84   4.957% *  0.1149% (0.92   1.0  1.00   0.02   1.44) =   0.007%
          QG1   VAL   41 - HB2   LEU   31   6.95 +/- 2.62  11.758% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HB2   LEU   31  21.79 +/- 5.90   0.840% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   LEU   31  19.17 +/- 3.03   0.356% *  0.1242% (1.00   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 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.5:
    * O T QD1   LEU   31 - HB2   LEU   31   2.48 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.47) = 100.000%  kept
    Distance limit 3.40 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 = 231.4:
    * O T QD2   LEU   31 - HB2   LEU   31   2.83 +/- 0.50  90.864% * 99.6345% (1.00  10.0 10.00   5.75 231.47) =  99.984%  kept
        T QG2   VAL   43 - HB2   LEU   31  10.03 +/- 2.70   4.396% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.012%
          QG2   VAL   83 - HB2   LEU   31  15.00 +/- 6.17   3.720% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HB2   LEU   31  16.95 +/- 5.01   1.020% *  0.0447% (0.45   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 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HA    LEU   31 - HB3   LEU   31   2.34 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.47) = 100.000%  kept
    Distance limit 3.37 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 = 231.5:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  96.152% * 99.2507% (1.00  10.0 10.00   6.00 231.47) =  99.997%  kept
          HB2   LEU   63 - HB3   LEU   31  15.98 +/- 3.62   0.775% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LEU   31  10.32 +/- 3.87   1.268% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HB3   LEU   31  11.45 +/- 1.45   0.432% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  12.67 +/- 2.81   0.363% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  18.42 +/- 6.48   0.232% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.12 +/- 1.86   0.176% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  17.36 +/- 4.52   0.217% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.37 +/- 4.73   0.130% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  24.90 +/- 4.06   0.051% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  19.83 +/- 5.32   0.117% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  19.89 +/- 2.86   0.087% *  0.0372% (0.38   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 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 = 5.96, residual support = 229.9:
    * O T HG    LEU   31 - HB3   LEU   31   2.87 +/- 0.19  70.471% * 92.3143% (0.80  10.0 10.00   6.00 231.47) =  99.338%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.75 +/- 2.71   6.103% *  6.8893% (0.92   1.0 10.00   0.13   1.44) =   0.642%  kept
        T HG3   LYS+ 121 - HB3   LEU   31  20.69 +/- 5.74   0.994% *  0.6527% (0.57   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   41 - HB3   LEU   31   5.85 +/- 2.69  22.110% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.010%
          QD1   ILE   56 - HB3   LEU   31  18.37 +/- 2.80   0.323% *  0.1150% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.5:
    * O T QD1   LEU   31 - HB3   LEU   31   2.22 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.47) = 100.000%  kept
    Distance limit 3.29 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 = 5.75, residual support = 231.4:
    * O T QD2   LEU   31 - HB3   LEU   31   2.75 +/- 0.33  91.440% * 99.6345% (1.00  10.0 10.00   5.75 231.47) =  99.985%  kept
        T QG2   VAL   43 - HB3   LEU   31   9.16 +/- 2.59   4.250% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.012%
          QG2   VAL   83 - HB3   LEU   31  14.48 +/- 5.90   3.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  16.23 +/- 4.88   1.308% *  0.0447% (0.45   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 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.0, residual support = 231.5:
    * O T HA    LEU   31 - HG    LEU   31   3.19 +/- 0.51 100.000% *100.0000% (0.80  10.0 10.00   6.00 231.47) = 100.000%  kept
    Distance limit 4.07 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 = 6.01, residual support = 231.4:
    * O T HB2   LEU   31 - HG    LEU   31   2.63 +/- 0.29  86.793% * 99.2507% (0.80  10.0 10.00   6.01 231.47) =  99.989%  kept
          HB2   LEU   63 - HG    LEU   31  15.65 +/- 3.59   3.208% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HG    LEU   31  11.23 +/- 3.37   3.608% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HG    LEU   31  17.39 +/- 7.00   0.875% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HG    LEU   31  13.84 +/- 2.95   1.000% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  14.44 +/- 2.48   1.004% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HG    LEU   31  13.03 +/- 1.35   1.040% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   31  21.56 +/- 4.90   0.652% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  16.55 +/- 4.82   0.764% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.25 +/- 3.20   0.503% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.69 +/- 3.81   0.186% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  19.37 +/- 5.36   0.366% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 6.0, residual support = 231.4:
    * O T HB3   LEU   31 - HG    LEU   31   2.87 +/- 0.19  88.927% * 99.4283% (0.80  10.0 10.00   6.00 231.47) =  99.989%  kept
        T HG2   LYS+ 121 - HG    LEU   31  21.10 +/- 5.70   1.843% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   24 - HG    LEU   31   8.50 +/- 1.01   4.631% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  11.02 +/- 0.90   1.788% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  19.46 +/- 4.18   0.940% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HG    LEU   31  15.28 +/- 3.21   0.945% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  24.33 +/- 5.22   0.217% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.94 +/- 2.91   0.709% *  0.0135% (0.11   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 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 = 4.98, residual support = 231.5:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.98 231.47) = 100.000%  kept
    Distance limit 3.33 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 = 5.88, residual support = 231.5:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  95.186% * 99.6345% (0.80  10.0 10.00   5.88 231.47) =  99.992%  kept
        T QG2   VAL   43 - HG    LEU   31   8.75 +/- 2.68   2.383% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   83 - HG    LEU   31  13.84 +/- 6.17   1.884% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  15.74 +/- 4.95   0.548% *  0.0447% (0.36   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 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.5:
    *   T HA    LEU   31 - QD1   LEU   31   3.78 +/- 0.18 100.000% *100.0000% (1.00 10.00   4.85 231.47) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.4:
    * O T HB2   LEU   31 - QD1   LEU   31   2.48 +/- 0.19  75.621% * 99.2507% (1.00  10.0 10.00   4.86 231.47) =  99.975%  kept
          HB2   LEU   63 - QD1   LEU   31  13.14 +/- 3.40  11.807% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.014%
          HG    LEU   98 - QD1   LEU   31   8.91 +/- 3.38   4.090% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD1   LEU   31  13.85 +/- 5.84   1.890% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD1   LEU   31  11.58 +/- 2.75   1.084% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD1   LEU   31  11.87 +/- 2.22   1.049% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD1   LEU   31  11.55 +/- 1.35   0.944% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  13.09 +/- 4.20   1.509% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   31  18.44 +/- 3.99   0.526% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  15.19 +/- 4.77   0.736% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.50 +/- 2.80   0.544% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  19.95 +/- 3.39   0.199% *  0.0984% (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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.5:
    * O T HB3   LEU   31 - QD1   LEU   31   2.22 +/- 0.19  89.838% * 99.6763% (1.00  10.0 10.00   4.86 231.47) =  99.995%  kept
          QG1   VAL   24 - QD1   LEU   31   6.98 +/- 0.72   3.564% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - QD1   LEU   31  16.33 +/- 3.48   0.760% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31  10.06 +/- 0.72   1.160% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   LEU   31  17.71 +/- 4.92   2.168% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QD1   LEU   31  12.24 +/- 3.02   1.413% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.89 +/- 4.44   0.214% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.78 +/- 2.74   0.882% *  0.0135% (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 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.98, residual support = 231.3:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  79.985% * 99.0366% (0.80  10.0 10.00   4.98 231.47) =  99.935%  kept
          QD2   LEU   73 - QD1   LEU   31   6.19 +/- 2.40   6.279% *  0.7391% (0.92   1.0  1.00   0.13   1.44) =   0.059%
          QG1   VAL   41 - QD1   LEU   31   5.76 +/- 2.21  10.935% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - QD1   LEU   31  17.53 +/- 4.94   2.476% *  0.0700% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - QD1   LEU   31  14.77 +/- 2.62   0.325% *  0.1234% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.4:
    * O T QD2   LEU   31 - QD1   LEU   31   2.04 +/- 0.08  88.041% * 99.6345% (1.00  10.0 10.00   4.62 231.47) =  99.979%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.85 +/- 2.64   5.627% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.016%
          QG2   VAL   83 - QD1   LEU   31  10.80 +/- 5.30   5.178% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   89 - QD1   LEU   31  12.28 +/- 4.41   1.154% *  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 = 231.5:
    *   T HA    LEU   31 - QD2   LEU   31   2.67 +/- 0.54  96.499% * 99.9324% (1.00 10.00   5.74 231.47) =  99.998%  kept
        T HA    LEU   31 - QG2   VAL   43   9.26 +/- 2.35   3.501% *  0.0676% (0.07 10.00   0.02   0.02) =   0.002%
    Distance limit 3.10 A violated in 0 structures by 0.08 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 231.1:
    * O T HB2   LEU   31 - QD2   LEU   31   2.83 +/- 0.50  48.506% * 97.8797% (1.00  10.0 10.00   5.75 231.47) =  99.820%  kept
          HB3   ASP-  44 - QG2   VAL   43   5.71 +/- 0.56   7.329% *  0.9082% (0.05   1.0  1.00   3.42  16.57) =   0.140%  kept
        T QB    ALA   84 - QD2   LEU   31  13.37 +/- 3.59   1.062% *  0.4024% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   63 - QD2   LEU   31  12.09 +/- 2.85   4.181% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - QD2   LEU   31   8.79 +/- 3.18   4.877% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   80 - QD2   LEU   31  13.92 +/- 5.52   2.132% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   31 - QG2   VAL   43  10.03 +/- 2.70   2.317% *  0.0662% (0.07   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - QD2   LEU   31  11.34 +/- 2.45   1.641% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD2   LEU   31  11.08 +/- 1.73   1.171% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD2   LEU   31  11.04 +/- 0.89   1.040% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QG2   VAL   43   9.77 +/- 3.69   4.855% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   31  17.61 +/- 3.68   0.430% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   6.84 +/- 1.95   7.139% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   31  15.80 +/- 4.11   0.615% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.02 +/- 2.24   3.776% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  19.93 +/- 3.00   0.202% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.20 +/- 2.38   0.408% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   9.13 +/- 1.98   2.919% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.86 +/- 1.38   0.867% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.52 +/- 1.27   1.928% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  11.03 +/- 2.59   1.418% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.44 +/- 1.60   0.441% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.64 +/- 1.29   0.451% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.12 +/- 2.19   0.294% *  0.0043% (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 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.4:
    * O T HB3   LEU   31 - QD2   LEU   31   2.75 +/- 0.33  66.303% * 99.5873% (1.00  10.0 10.00   5.75 231.47) =  99.983%  kept
          HG13  ILE  119 - QD2   LEU   31  15.43 +/- 3.16   3.496% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   24 - QD2   LEU   31   6.70 +/- 0.85   5.765% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   31 - QG2   VAL   43   9.16 +/- 2.59   3.087% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   20 - QD2   LEU   31   8.41 +/- 0.76   2.747% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QD2   LEU   31  17.13 +/- 4.36   0.883% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.14 +/- 2.57   1.356% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  19.41 +/- 4.17   0.339% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   9.38 +/- 2.77   3.792% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.69 +/- 2.31   1.053% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   9.30 +/- 2.58   2.947% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.74 +/- 1.20   0.773% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.36 +/- 1.31   3.374% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  15.07 +/- 3.18   0.701% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.54 +/- 1.01   2.662% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.81 +/- 3.11   0.723% *  0.0019% (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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.86, residual support = 230.6:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  60.181% * 97.6274% (0.80  10.0 10.00   5.88 231.47) =  99.610%  kept
          QG1   VAL   41 - QD2   LEU   31   5.09 +/- 2.22   9.204% *  1.0867% (0.25   1.0  1.00   0.71   0.02) =   0.170%  kept
          QD2   LEU   73 - QD2   LEU   31   4.69 +/- 2.31  13.020% *  0.7286% (0.92   1.0  1.00   0.13   1.44) =   0.161%  kept
          QD2   LEU   73 - QG2   VAL   43   5.71 +/- 2.16  11.753% *  0.2856% (0.06   1.0  1.00   0.75   6.06) =   0.057%
        T HG    LEU   31 - QG2   VAL   43   8.75 +/- 2.68   1.489% *  0.0661% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD2   LEU   31  16.92 +/- 4.43   0.572% *  0.0690% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD2   LEU   31  14.14 +/- 2.30   0.270% *  0.1217% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   6.31 +/- 0.78   2.647% *  0.0021% (0.02   1.0  1.00   0.02   1.42) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.81 +/- 1.52   0.591% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.68 +/- 3.00   0.274% *  0.0047% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.5:
    * O T QD1   LEU   31 - QD2   LEU   31   2.04 +/- 0.08  93.972% * 99.9324% (1.00  10.0 10.00   4.62 231.47) =  99.996%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.85 +/- 2.64   6.028% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.004%
    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 = 0.687, support = 3.24, residual support = 38.4:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.09  50.709% * 48.1461% (0.69  10.0 10.00   3.00  44.46) =  79.545%  kept
        T QB    GLN   32 - HA    LYS+  33   4.04 +/- 0.18  11.795% * 49.5457% (0.71   1.0 10.00   4.49  15.73) =  19.039%  kept
        T QB    GLN   32 - HA    GLU-  29   3.10 +/- 0.58  30.323% *  1.4273% (0.45   1.0 10.00   0.09   0.02) =   1.410%  kept
          HG3   GLU- 100 - HA    GLN   32  12.36 +/- 3.13   1.017% *  0.0386% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    LYS+  33  12.69 +/- 2.97   0.685% *  0.0397% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.79 +/- 0.41   0.605% *  0.0311% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  14.22 +/- 0.65   0.265% *  0.0477% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  18.94 +/- 3.89   0.227% *  0.0444% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.02 +/- 0.43   0.185% *  0.0491% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.88 +/- 2.97   0.180% *  0.0457% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  14.60 +/- 5.20   1.659% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  16.44 +/- 4.67   1.061% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.88 +/- 3.30   0.307% *  0.0251% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  26.55 +/- 3.62   0.055% *  0.0981% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.59 +/- 3.49   0.053% *  0.0953% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.19 +/- 4.08   0.605% *  0.0076% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  26.32 +/- 4.34   0.068% *  0.0620% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  20.74 +/- 3.16   0.113% *  0.0289% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  31.16 +/- 3.37   0.029% *  0.0953% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  32.49 +/- 3.45   0.025% *  0.0981% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  30.30 +/- 4.04   0.034% *  0.0620% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.689, support = 3.25, residual support = 39.2:
    * O T QG    GLN   32 - HA    GLN   32   2.30 +/- 0.27  67.834% * 48.1967% (0.69  10.0 10.00   3.00  44.46) =  81.873%  kept
        T QG    GLN   32 - HA    LYS+  33   4.60 +/- 0.77  14.189% * 49.5977% (0.71   1.0 10.00   4.52  15.73) =  17.623%  kept
        T QG    GLN   32 - HA    GLU-  29   4.79 +/- 0.78  13.871% *  1.4288% (0.45   1.0 10.00   0.09   0.02) =   0.496%  kept
        T HB2   GLU- 100 - HA    GLN   32  12.38 +/- 3.82   1.007% *  0.1340% (0.19   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    LYS+  33  13.04 +/- 3.58   0.635% *  0.1379% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU- 100 - HA    GLU-  29  15.97 +/- 3.66   0.358% *  0.0872% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN   32  18.88 +/- 4.57   0.626% *  0.0418% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    LYS+  33  20.13 +/- 4.40   0.195% *  0.0430% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  17.36 +/- 4.93   0.288% *  0.0272% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  27.29 +/- 3.64   0.054% *  0.0982% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  27.33 +/- 4.77   0.079% *  0.0621% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.78 +/- 2.87   0.112% *  0.0292% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.12 +/- 1.88   0.077% *  0.0301% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.90 +/- 2.93   0.097% *  0.0190% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.44 +/- 2.62   0.099% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.93 +/- 4.60   0.081% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.17 +/- 2.08   0.072% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.16 +/- 2.60   0.104% *  0.0070% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.70 +/- 4.12   0.064% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.97 +/- 5.11   0.095% *  0.0070% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  26.92 +/- 3.99   0.065% *  0.0095% (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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.708, support = 3.22, residual support = 37.5:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.09  53.835% * 45.7545% (0.69  10.0 10.00   3.00  44.46) =  77.257%  kept
        T HA    LYS+  33 - QB    GLN   32   4.04 +/- 0.18  12.523% * 50.9048% (0.76   1.0 10.00   4.49  15.73) =  19.994%  kept
        T HA    GLU-  29 - QB    GLN   32   3.10 +/- 0.58  32.186% *  2.7211% (0.90   1.0 10.00   0.09   0.02) =   2.747%  kept
          HA    VAL   18 - QB    GLN   32  13.44 +/- 2.02   0.498% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  21.46 +/- 7.86   0.261% *  0.0643% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  26.80 +/- 3.06   0.049% *  0.3242% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    GLN   32  13.92 +/- 1.87   0.366% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.91 +/- 3.27   0.083% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  24.50 +/- 5.71   0.086% *  0.0484% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  23.24 +/- 3.86   0.112% *  0.0299% (0.45   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 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 = 3.23, residual support = 44.5:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.02  98.165% * 99.7611% (1.00  10.0 10.00   3.23  44.46) =  99.999%  kept
          QG    GLU-  79 - QB    GLN   32  16.82 +/- 4.24   0.579% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - QB    GLN   32  12.70 +/- 3.25   0.771% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.57 +/- 2.58   0.132% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.74 +/- 2.44   0.152% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  22.88 +/- 4.34   0.113% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  24.85 +/- 3.84   0.088% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.703, support = 3.26, residual support = 38.7:
    * O T HA    GLN   32 - QG    GLN   32   2.30 +/- 0.27  69.789% * 45.7650% (0.69  10.0 10.00   3.00  44.46) =  80.330%  kept
        T HA    LYS+  33 - QG    GLN   32   4.60 +/- 0.77  14.596% * 50.9165% (0.76   1.0 10.00   4.52  15.73) =  18.691%  kept
        T HA    GLU-  29 - QG    GLN   32   4.79 +/- 0.78  14.268% *  2.7218% (0.90   1.0 10.00   0.09   0.02) =   0.977%  kept
        T HA    GLN  116 - QG    GLN   32  24.05 +/- 3.74   0.106% *  0.2987% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    GLN   32  14.62 +/- 2.47   0.447% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG    GLN   32  22.32 +/- 7.89   0.244% *  0.0643% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.59 +/- 2.04   0.359% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.08 +/- 3.46   0.067% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  25.29 +/- 5.80   0.080% *  0.0484% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.94 +/- 3.18   0.044% *  0.0324% (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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 44.5:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.02  85.008% * 99.6746% (1.00  10.0 10.00   3.23  44.46) =  99.996%  kept
          HB2   GLU-  14 - QG    GLN   32  14.93 +/- 5.04  13.449% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - QG    GLN   32  12.46 +/- 3.06   0.850% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - QG    GLN   32  13.09 +/- 1.02   0.382% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  18.58 +/- 3.53   0.211% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  25.31 +/- 3.55   0.063% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.25 +/- 3.35   0.037% *  0.0197% (0.20   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 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 = 0.979, support = 6.43, residual support = 150.1:
    * O T QB    LYS+  33 - HA    LYS+  33   2.18 +/- 0.06  69.379% * 74.4043% (1.00  10.0 10.00   6.52 154.24) =  97.155%  kept
        T QB    LYS+  33 - HA    GLN   32   5.34 +/- 0.14   4.736% * 19.1347% (0.26   1.0 10.00   4.88  15.73) =   1.706%  kept
        T QB    LYS+  33 - HA    GLU-  29   4.85 +/- 1.31  14.256% *  4.2290% (0.28   1.0 10.00   0.41   0.02) =   1.135%  kept
        T QB    LYS+  81 - HA    LYS+  33  24.90 +/- 4.95   0.068% *  0.7181% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  21.40 +/- 5.76   0.142% *  0.2005% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.87 +/- 0.37   1.524% *  0.0186% (0.25   1.0  1.00   0.02   0.52) =   0.001%
          HB3   LYS+  38 - HA    LYS+  33   9.92 +/- 0.57   0.759% *  0.0306% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  22.97 +/- 5.43   0.110% *  0.1847% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.74 +/- 0.23   3.869% *  0.0052% (0.07   1.0  1.00   0.02  26.57) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.46 +/- 3.48   0.183% *  0.0687% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.18 +/- 3.04   0.129% *  0.0704% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.69 +/- 0.14   1.609% *  0.0048% (0.06   1.0  1.00   0.02   1.66) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.77 +/- 2.03   0.091% *  0.0729% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.82 +/- 1.53   0.084% *  0.0704% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  19.26 +/- 4.38   0.323% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.58 +/- 0.73   0.658% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  32.56 +/- 2.97   0.023% *  0.1855% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.07 +/- 4.29   0.230% *  0.0181% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.55 +/- 3.33   0.139% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  21.01 +/- 3.85   0.132% *  0.0192% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.65 +/- 3.71   0.121% *  0.0204% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.40 +/- 3.61   0.124% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.40 +/- 3.87   0.032% *  0.0718% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  19.03 +/- 2.76   0.121% *  0.0181% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  31.03 +/- 4.12   0.028% *  0.0737% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  14.82 +/- 0.86   0.228% *  0.0085% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  20.43 +/- 2.41   0.097% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.37 +/- 3.42   0.044% *  0.0421% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  24.93 +/- 5.05   0.096% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.59 +/- 3.52   0.030% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  31.33 +/- 2.84   0.026% *  0.0477% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  27.81 +/- 4.79   0.044% *  0.0206% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.70 +/- 4.52   0.045% *  0.0200% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  26.66 +/- 5.95   0.162% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  28.73 +/- 4.81   0.041% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  29.77 +/- 3.98   0.035% *  0.0185% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.64 +/- 3.97   0.049% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.82 +/- 3.13   0.043% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  25.68 +/- 4.76   0.075% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  29.21 +/- 2.26   0.031% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.94 +/- 2.84   0.042% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.25 +/- 2.86   0.040% *  0.0030% (0.04   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 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.954, support = 6.12, residual support = 145.4:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.37 +/- 0.25  49.074% * 73.2901% (1.00  10.0 10.00   6.30 154.24) =  93.794%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.05 +/- 0.70   9.912% * 18.8481% (0.26   1.0 10.00   4.20  15.73) =   4.872%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.28 +/- 1.25  11.849% *  4.1610% (0.28   1.0 10.00   0.41   0.02) =   1.286%  kept
        T HG3   LYS+  65 - HA    LYS+  33  20.18 +/- 4.34   0.526% *  0.7264% (0.99   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+ 102 - HA    LYS+  33  18.52 +/- 4.21   0.461% *  0.6933% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 102 - HA    GLN   32  16.53 +/- 5.53   1.098% *  0.1783% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+  33  21.57 +/- 1.87   0.216% *  0.5869% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - HA    LYS+  33  13.07 +/- 3.61   1.785% *  0.0587% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HA    GLN   32  20.81 +/- 4.66   0.532% *  0.1868% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    GLU-  29  19.50 +/- 4.64   0.403% *  0.1936% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLU-  29  20.76 +/- 3.96   0.372% *  0.2028% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+  33  15.05 +/- 2.86   0.812% *  0.0707% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLN   32  19.55 +/- 3.11   0.338% *  0.1509% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  13.38 +/- 2.67   1.194% *  0.0386% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  13.47 +/- 4.86   2.698% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+  33  15.37 +/- 1.24   0.554% *  0.0726% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  21.34 +/- 2.73   0.234% *  0.1638% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  13.11 +/- 3.09   1.196% *  0.0197% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  11.90 +/- 3.54   2.229% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLN   32  15.04 +/- 4.22   1.424% *  0.0151% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  14.44 +/- 2.61   0.800% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.72 +/- 2.85   1.228% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.91 +/- 1.98   0.657% *  0.0187% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.89 +/- 3.13   1.070% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  16.15 +/- 1.97   0.530% *  0.0203% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.64 +/- 1.79   0.386% *  0.0204% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  13.27 +/- 3.59   2.080% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  23.23 +/- 5.88   0.328% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  28.90 +/- 3.43   0.091% *  0.0657% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  24.86 +/- 6.48   0.867% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  22.77 +/- 4.26   0.216% *  0.0163% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  23.35 +/- 6.28   0.263% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  16.01 +/- 1.53   0.503% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.42 +/- 3.32   0.847% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.63 +/- 2.13   0.123% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.44 +/- 1.93   0.427% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.43 +/- 6.45   0.439% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  28.17 +/- 4.43   0.110% *  0.0184% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  28.05 +/- 3.87   0.108% *  0.0169% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  20.16 +/- 6.95   0.557% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  19.89 +/- 4.86   0.382% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  20.84 +/- 4.75   0.341% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  21.38 +/- 6.56   0.428% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.12 +/- 2.71   0.159% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.30 +/- 2.70   0.153% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.961, support = 4.91, residual support = 146.6:
    *   T QD    LYS+  33 - HA    LYS+  33   3.87 +/- 0.60  58.558% * 76.4480% (1.00 10.00   5.04 154.24) =  94.649%  kept
        T QD    LYS+  33 - HA    GLN   32   6.99 +/- 0.81   9.797% * 19.6602% (0.26 10.00   3.34  15.73) =   4.073%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.19 +/- 1.25  23.756% *  2.5294% (0.28 10.00   0.24   0.02) =   1.270%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  30.92 +/- 3.87   0.171% *  0.6856% (0.90 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HA    LYS+  33  25.08 +/- 5.72   0.606% *  0.0764% (1.00  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLN   32  29.53 +/- 4.70   0.249% *  0.1763% (0.23 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  33  19.03 +/- 2.37   0.995% *  0.0433% (0.57  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  30.06 +/- 4.23   0.184% *  0.1914% (0.25 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  22.11 +/- 3.06   0.423% *  0.0663% (0.87  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLU-  29  27.10 +/- 6.44   0.797% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.74 +/- 2.62   1.423% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.82 +/- 2.06   0.935% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.29 +/- 3.78   0.583% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  26.01 +/- 5.35   0.386% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.87 +/- 3.17   0.437% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  30.71 +/- 4.39   0.186% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  28.93 +/- 5.03   0.308% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  29.99 +/- 4.48   0.205% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.19 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.768, support = 5.19, residual support = 111.4:
    *   T QE    LYS+  33 - HA    LYS+  33   3.88 +/- 0.81  25.508% * 48.7974% (1.00 10.00   5.72 154.24) =  68.456%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.21 +/- 0.26  19.896% * 13.3539% (0.27 10.00   5.73  32.63) =  14.612%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.47 +/- 0.40   9.040% * 16.6452% (0.34 10.00   2.85   5.20) =   8.275%  kept
        T HB2   ASN   35 - HA    GLN   32   4.73 +/- 0.92  17.282% *  4.2807% (0.09 10.00   2.08   3.60) =   4.069%  kept
        T QE    LYS+  33 - HA    GLN   32   6.95 +/- 1.13   4.309% * 12.5493% (0.26 10.00   3.59  15.73) =   2.974%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.39 +/- 1.37   9.968% *  2.7750% (0.28 10.00   0.41   0.02) =   1.521%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.31 +/- 0.93   1.458% *  0.4783% (0.98 10.00   0.02   0.02) =   0.038%
        T QE    LYS+  65 - HA    LYS+  33  19.32 +/- 4.38   0.792% *  0.4376% (0.90 10.00   0.02   0.02) =   0.019%
        T HB2   ASN   28 - HA    GLN   32   8.42 +/- 0.87   2.780% *  0.1230% (0.25 10.00   0.02   0.02) =   0.019%
        T HB2   ASN   35 - HA    GLU-  29   9.76 +/- 0.84   1.603% *  0.0465% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLN   32  19.97 +/- 4.67   0.605% *  0.1125% (0.23 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLU-  29  19.78 +/- 3.95   0.400% *  0.1222% (0.25 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - HA    LYS+  33  21.73 +/- 3.85   0.247% *  0.1086% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLN   32  20.42 +/- 4.05   0.794% *  0.0279% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    GLN   32  24.00 +/- 5.49   2.416% *  0.0081% (0.17  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    LYS+  33  25.60 +/- 4.92   0.321% *  0.0316% (0.65  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  18.88 +/- 4.10   0.312% *  0.0303% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    LYS+  33  26.29 +/- 7.72   0.140% *  0.0335% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  22.46 +/- 5.32   0.497% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  15.82 +/- 2.76   0.426% *  0.0075% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  23.22 +/- 8.20   0.254% *  0.0094% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  23.60 +/- 8.35   0.266% *  0.0086% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.97 +/- 3.21   0.458% *  0.0019% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.25 +/- 2.51   0.229% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 6.26, residual support = 145.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.18 +/- 0.06  73.144% * 67.5363% (1.00  10.0 10.00   6.52 154.24) =  94.393%  kept
        T HA    GLU-  29 - QB    LYS+  33   4.85 +/- 1.31  15.034% * 13.2688% (0.97   1.0 10.00   0.41   0.02) =   3.812%  kept
        T HA    GLN   32 - QB    LYS+  33   5.34 +/- 0.14   4.994% * 18.7776% (0.28   1.0 10.00   4.88  15.73) =   1.792%  kept
          HB2   SER   37 - QB    LYS+  33   6.32 +/- 1.30   4.666% *  0.0150% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QB    LYS+  33  10.88 +/- 1.75   0.912% *  0.0639% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33  11.77 +/- 1.93   0.830% *  0.0586% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  22.98 +/- 6.97   0.141% *  0.0606% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  21.78 +/- 3.32   0.105% *  0.0586% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.47 +/- 3.13   0.049% *  0.1042% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  23.99 +/- 3.08   0.069% *  0.0355% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  25.86 +/- 4.70   0.057% *  0.0208% (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 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 = 6.22, residual support = 154.2:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.48 +/- 0.06  90.151% * 96.3761% (1.00  10.0 10.00   6.22 154.24) =  99.975%  kept
        T HG3   LYS+  65 - QB    LYS+  33  17.00 +/- 3.83   0.684% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T QB    LEU   98 - QB    LYS+  33  11.95 +/- 2.26   1.045% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - QB    LYS+  33  17.04 +/- 3.53   0.380% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QB    LYS+  33  10.76 +/- 3.31   2.717% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QB    LYS+  33  19.12 +/- 1.65   0.212% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  12.21 +/- 2.87   1.423% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+  33  13.19 +/- 1.35   0.699% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  14.48 +/- 1.70   0.586% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  13.16 +/- 2.42   0.848% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.34 +/- 4.91   0.384% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  24.97 +/- 3.09   0.103% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  19.62 +/- 3.79   0.268% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  19.98 +/- 5.73   0.352% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.97 +/- 1.81   0.148% *  0.0240% (0.25   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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 154.2:
    * O T QD    LYS+  33 - QB    LYS+  33   2.25 +/- 0.15  98.733% * 97.3258% (1.00  10.0 10.00   5.04 154.24) =  99.992%  kept
        T HB3   LEU  123 - QB    LYS+  33  21.85 +/- 5.19   0.409% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - QB    LYS+  33  15.81 +/- 2.16   0.429% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  26.99 +/- 3.12   0.066% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  18.74 +/- 2.85   0.256% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.19 +/- 4.03   0.107% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.65, residual support = 154.0:
    *   T QE    LYS+  33 - QB    LYS+  33   2.55 +/- 0.44  85.289% * 96.4640% (1.00 10.00   5.66 154.24) =  99.810%  kept
          HB2   ASN   35 - QB    LYS+  33   6.78 +/- 0.37   5.745% *  2.2180% (0.34  1.00   1.35   5.20) =   0.155%  kept
        T QE    LYS+  65 - QB    LYS+  33  16.31 +/- 3.90   2.749% *  0.8651% (0.90 10.00   0.02   0.02) =   0.029%
          HB2   ASN   28 - QB    LYS+  33   8.25 +/- 1.11   4.001% *  0.0946% (0.98  1.00   0.02   0.02) =   0.005%
        T HB2   ASP-  76 - QB    LYS+  33  18.30 +/- 3.55   0.375% *  0.2148% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QB    LYS+  33  21.81 +/- 4.33   0.370% *  0.0624% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  22.90 +/- 6.77   0.277% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  13.98 +/- 2.47   1.194% *  0.0149% (0.15  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 = 0.96, support = 5.93, residual support = 140.2:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.37 +/- 0.25  42.154% * 65.1768% (1.00  10.0 10.00   6.30 154.24) =  90.381%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.05 +/- 0.70   8.685% * 18.1216% (0.28   1.0 10.00   4.20  15.73) =   5.177%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.28 +/- 1.25  10.397% * 12.7912% (0.97   1.0 10.00   0.41   0.02) =   4.375%  kept
        T HA    LYS+  33 - HG3   LYS+  65  20.18 +/- 4.34   0.476% *  0.5628% (0.86   1.0 10.00   0.02   0.02) =   0.009%
          HB2   SER   37 - HG3   LYS+  33   6.22 +/- 2.30  16.648% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.008%
        T HA    GLU-  29 - HG3   LYS+  65  20.76 +/- 3.96   0.336% *  0.5432% (0.83   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL   18 - HG3   LYS+  65  10.52 +/- 5.42   3.367% *  0.0532% (0.82   1.0  1.00   0.02   0.02) =   0.006%
          HA    VAL   70 - HG3   LYS+  65  11.06 +/- 2.35   3.497% *  0.0488% (0.75   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  33 - HG3   LYS+ 102  18.52 +/- 4.21   0.384% *  0.3238% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 102  19.50 +/- 4.64   0.330% *  0.3125% (0.48   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   18 - HG3   LYS+  33  11.12 +/- 1.67   1.609% *  0.0617% (0.95   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+ 102  16.53 +/- 5.53   0.908% *  0.0900% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HG3   LYS+ 106  21.34 +/- 2.73   0.195% *  0.3997% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  33  11.68 +/- 1.98   1.349% *  0.0565% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+  65  20.81 +/- 4.66   0.485% *  0.1565% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HG3   LYS+ 106  21.57 +/- 1.87   0.181% *  0.4142% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HG3   LYS+  65  14.67 +/- 2.19   0.801% *  0.0488% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 106  19.55 +/- 3.11   0.279% *  0.1152% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  15.64 +/- 2.32   0.553% *  0.0359% (0.55   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  20.13 +/- 2.86   0.285% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  16.29 +/- 2.53   0.466% *  0.0359% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   LYS+  65  17.56 +/- 4.12   0.508% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  18.03 +/- 4.62   0.524% *  0.0281% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  17.51 +/- 4.13   1.153% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  25.28 +/- 7.39   0.241% *  0.0585% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  22.90 +/- 3.51   0.230% *  0.0565% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  21.73 +/- 5.33   0.306% *  0.0371% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  19.68 +/- 2.99   0.277% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.75 +/- 7.93   0.299% *  0.0290% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  23.73 +/- 2.52   0.133% *  0.0505% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  20.54 +/- 2.66   0.284% *  0.0218% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  22.10 +/- 3.10   0.183% *  0.0306% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  18.01 +/- 3.86   0.433% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.74 +/- 2.98   0.147% *  0.0281% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.00 +/- 3.07   0.112% *  0.0343% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.96 +/- 4.35   0.511% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  18.27 +/- 2.37   0.314% *  0.0087% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.28 +/- 3.36   0.150% *  0.0174% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.57 +/- 1.96   0.244% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  24.17 +/- 5.60   0.199% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  28.16 +/- 5.02   0.098% *  0.0201% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.04 +/- 2.83   0.101% *  0.0170% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.59 +/- 3.30   0.087% *  0.0101% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.25 +/- 2.74   0.080% *  0.0050% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.841, support = 6.08, residual support = 145.1:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.48 +/- 0.06  37.013% * 52.3713% (1.00  10.0 10.00   6.22 154.24) =  60.475%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.45 +/- 0.09  38.618% * 31.4809% (0.60  10.0 10.00   5.93 135.65) =  37.927%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.73 +/- 0.85   5.348% *  5.3621% (0.47   1.0  1.00   4.36  23.47) =   0.895%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.87 +/- 0.39   2.934% *  7.4282% (0.62   1.0  1.00   4.55  23.02) =   0.680%  kept
        T QB    LYS+  33 - HG3   LYS+  65  17.00 +/- 3.83   0.287% *  0.4523% (0.86   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE  103 - HG3   LYS+ 106   5.60 +/- 1.07   3.894% *  0.0315% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.16 +/- 1.30   0.454% *  0.2461% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 106 - HG3   LYS+  65  18.44 +/- 2.61   0.116% *  0.4278% (0.82   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   5.76 +/- 0.86   3.621% *  0.0131% (0.25   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 102  17.04 +/- 3.53   0.154% *  0.2602% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG3   LYS+  33  19.55 +/- 1.57   0.081% *  0.4954% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  65  10.36 +/- 1.75   0.726% *  0.0417% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  19.12 +/- 1.65   0.087% *  0.3328% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  65  19.31 +/- 4.99   0.871% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  33  10.26 +/- 1.39   0.606% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  15.76 +/- 3.56   0.234% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.74 +/- 1.24   0.392% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.49 +/- 3.08   0.197% *  0.0483% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.34 +/- 2.29   0.258% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  15.69 +/- 5.60   0.563% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.31 +/- 2.85   0.118% *  0.0495% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  19.20 +/- 3.30   0.111% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.37 +/- 2.08   0.088% *  0.0513% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  19.87 +/- 2.79   0.097% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  21.55 +/- 4.01   0.096% *  0.0428% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.83 +/- 5.94   0.170% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.50 +/- 3.83   0.349% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.48 +/- 3.94   0.124% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  23.45 +/- 4.60   0.065% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  15.96 +/- 3.40   0.290% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  18.65 +/- 2.10   0.099% *  0.0330% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  23.69 +/- 3.57   0.066% *  0.0448% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  20.21 +/- 3.39   0.089% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  17.09 +/- 2.51   0.137% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  22.72 +/- 5.10   0.180% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.77 +/- 2.64   0.068% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  27.87 +/- 3.95   0.036% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  24.37 +/- 5.14   0.062% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.95 +/- 3.65   0.047% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  29.18 +/- 3.74   0.027% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  19.17 +/- 2.00   0.089% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.38 +/- 1.50   0.211% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.77 +/- 2.52   0.121% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  26.41 +/- 3.36   0.037% *  0.0258% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.94 +/- 2.01   0.081% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.98 +/- 3.62   0.136% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  20.14 +/- 3.29   0.123% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.86 +/- 3.73   0.097% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  20.20 +/- 2.81   0.083% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.59 +/- 2.82   0.022% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  26.05 +/- 2.51   0.035% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.95 +/- 6.04   0.066% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.21 +/- 3.14   0.023% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  27.12 +/- 2.15   0.031% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.82 +/- 1.97   0.045% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.82 +/- 2.65   0.023% *  0.0065% (0.12   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 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 154.2:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.36 +/- 0.15  88.342% * 94.8130% (1.00  10.0 10.00   4.54 154.24) =  99.976%  kept
        T QD    LYS+  33 - HG3   LYS+  65  15.77 +/- 3.49   0.790% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.008%
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.98 +/- 3.24   0.879% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HG3   LYS+  65   9.18 +/- 2.89   4.139% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 102  17.53 +/- 3.40   0.291% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+  65  10.02 +/- 1.97   1.633% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 106  19.12 +/- 1.91   0.187% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.61 +/- 2.86   0.131% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  28.95 +/- 3.44   0.059% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.99 +/- 3.44   0.100% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  33  22.93 +/- 5.79   0.414% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  17.32 +/- 3.26   0.384% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.13 +/- 2.69   0.457% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.58 +/- 2.51   0.417% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.07 +/- 2.97   0.208% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  20.93 +/- 4.43   0.182% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.52 +/- 2.25   0.286% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.43 +/- 3.73   0.416% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  25.55 +/- 6.86   0.129% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.87 +/- 2.26   0.116% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.67 +/- 2.51   0.148% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.17 +/- 2.92   0.156% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.21 +/- 4.48   0.089% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.01 +/- 3.09   0.048% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.899, support = 4.82, residual support = 156.2:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.70 +/- 0.58  42.125% * 54.6859% (1.00  10.0 10.00   5.20 154.24) =  55.209%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.61 +/- 0.40  44.108% * 42.3520% (0.77  10.0 10.00   4.36 158.63) =  44.769%  kept
        T QE    LYS+  65 - HG3   LYS+  33  17.23 +/- 3.91   0.537% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  33 - HG3   LYS+  65  16.40 +/- 3.51   0.324% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HG3   LYS+ 106  19.53 +/- 3.94   0.248% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.64 +/- 1.09   1.008% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  17.74 +/- 3.33   0.190% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  65  14.63 +/- 2.87   0.446% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.51 +/- 1.96   0.113% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HG3   LYS+  65  12.64 +/- 3.15   5.205% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.46 +/- 0.46   2.021% *  0.0187% (0.34   1.0  1.00   0.02   5.20) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.66 +/- 4.47   0.118% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  19.60 +/- 3.79   0.119% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.99 +/- 3.57   0.435% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.88 +/- 2.47   0.117% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  16.92 +/- 6.08   0.349% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.75 +/- 3.99   0.173% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  21.64 +/- 4.77   0.308% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.45 +/- 3.25   0.125% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.80 +/- 5.10   0.150% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  23.80 +/- 3.36   0.062% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  21.23 +/- 7.96   0.185% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.53 +/- 4.34   0.090% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  15.95 +/- 5.52   0.338% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  24.94 +/- 7.41   0.083% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  14.26 +/- 2.41   0.310% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  23.12 +/- 3.20   0.074% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.80 +/- 2.63   0.089% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.15 +/- 2.60   0.098% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  20.09 +/- 5.69   0.276% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.44 +/- 3.59   0.045% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.28 +/- 3.54   0.133% *  0.0054% (0.10   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.967, support = 4.74, residual support = 141.0:
    *   T HA    LYS+  33 - QD    LYS+  33   3.87 +/- 0.60  35.696% * 70.3439% (1.00 10.00   5.04 154.24) =  90.986%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.19 +/- 1.25  16.138% *  8.0451% (0.97 10.00   0.24   0.02) =   4.705%  kept
        T HA    GLN   32 - QD    LYS+  33   6.99 +/- 0.81   6.011% * 19.5582% (0.28 10.00   3.34  15.73) =   4.260%  kept
          HA    VAL   18 - QD    LYS+  33   9.48 +/- 2.28   6.522% *  0.0665% (0.95  1.00   0.02   0.02) =   0.016%
          HB2   SER   37 - QD    LYS+  33   6.04 +/- 2.28  22.389% *  0.0157% (0.22  1.00   0.02   0.02) =   0.013%
          HA    VAL   70 - QD    LYS+  33  10.95 +/- 2.40   2.290% *  0.0610% (0.87  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - HD3   LYS+ 111  11.78 +/- 1.16   1.645% *  0.0547% (0.78  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HD3   LYS+ 111  30.06 +/- 4.23   0.115% *  0.6083% (0.86 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HD3   LYS+ 111  30.92 +/- 3.87   0.104% *  0.6304% (0.90 10.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HD3   LYS+ 111  15.08 +/- 6.11   5.889% *  0.0097% (0.14  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HD3   LYS+ 111  20.03 +/- 5.08   0.807% *  0.0332% (0.47  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QD    LYS+  33  20.82 +/- 3.34   0.428% *  0.0610% (0.87  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  29.53 +/- 4.70   0.149% *  0.1753% (0.25 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  23.23 +/- 6.62   0.367% *  0.0631% (0.90  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HD3   LYS+ 111  23.36 +/- 3.51   0.235% *  0.0547% (0.78  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.41 +/- 3.14   0.176% *  0.0596% (0.85  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.58 +/- 2.97   0.224% *  0.0370% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.95 +/- 3.73   0.116% *  0.0565% (0.80  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.88 +/- 3.07   0.241% *  0.0195% (0.28  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  25.90 +/- 4.48   0.178% *  0.0217% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.88 +/- 3.19   0.160% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  28.86 +/- 3.68   0.120% *  0.0140% (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 = 5.03, residual support = 154.0:
    * O T QB    LYS+  33 - QD    LYS+  33   2.25 +/- 0.15  77.572% * 92.6484% (1.00  10.0 10.00   5.04 154.24) =  99.850%  kept
          HB3   GLN   30 - QD    LYS+  33   5.75 +/- 0.66   5.322% *  1.6548% (0.25   1.0  1.00   1.43   0.52) =   0.122%  kept
        T HG3   PRO   68 - QD    LYS+  33  15.06 +/- 3.05   0.652% *  0.8553% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   ARG+  54 - HD3   LYS+ 111  15.48 +/- 4.39   0.590% *  0.8012% (0.86   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PRO   52 - HD3   LYS+ 111  13.17 +/- 6.32   8.359% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HD3   LYS+ 111  24.25 +/- 4.28   0.184% *  0.7664% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  123 - QD    LYS+  33  20.49 +/- 4.93   0.579% *  0.2310% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   LYS+ 111  12.17 +/- 2.84   1.159% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  25.06 +/- 3.59   0.084% *  0.8941% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD3   LYS+ 111  11.94 +/- 3.55   1.197% *  0.0470% (0.51   1.0  1.00   0.02   1.79) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.30 +/- 1.50   1.200% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  26.99 +/- 3.12   0.052% *  0.8302% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   LYS+ 111  14.94 +/- 3.74   0.457% *  0.0814% (0.88   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HD3   LYS+ 111  18.78 +/- 2.42   0.157% *  0.2070% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.48 +/- 2.34   0.214% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.18 +/- 2.29   0.184% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  19.36 +/- 3.73   0.183% *  0.0823% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.33 +/- 1.44   0.160% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.55 +/- 3.47   0.945% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  21.37 +/- 4.11   0.133% *  0.0894% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.09 +/- 3.06   0.140% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  23.44 +/- 3.55   0.089% *  0.0801% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.58 +/- 3.57   0.108% *  0.0525% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  26.66 +/- 3.40   0.055% *  0.0918% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  29.03 +/- 4.78   0.052% *  0.0341% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  25.92 +/- 3.51   0.061% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.37 +/- 3.05   0.052% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.86 +/- 1.79   0.062% *  0.0143% (0.15   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 153.4:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.36 +/- 0.15  81.574% * 79.1676% (1.00  10.0 10.00   4.54 154.24) =  99.313%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.99 +/- 1.23   2.815% * 15.0938% (0.80   1.0  1.00   4.74  28.58) =   0.653%  kept
        T HG3   LYS+  65 - QD    LYS+  33  15.77 +/- 3.49   0.730% *  0.7847% (0.99   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.98 +/- 3.24   0.809% *  0.5681% (0.72   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 102 - QD    LYS+  33  17.53 +/- 3.40   0.269% *  0.7489% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QD    LYS+  33  10.37 +/- 3.51   3.027% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QD    LYS+  33  11.70 +/- 3.05   1.859% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QD    LYS+  33  19.12 +/- 1.91   0.173% *  0.6339% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.61 +/- 2.86   0.121% *  0.7032% (0.89   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  17.17 +/- 4.29   0.454% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.99 +/- 3.44   0.092% *  0.6711% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  10.97 +/- 3.17   2.905% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.51 +/- 1.21   0.612% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  28.95 +/- 3.44   0.055% *  0.7094% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  12.08 +/- 2.06   0.812% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HD3   LYS+ 111  17.85 +/- 2.97   0.265% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.62 +/- 2.13   0.596% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  21.76 +/- 3.44   0.153% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.23 +/- 2.32   0.680% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  18.75 +/- 2.49   0.220% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  19.36 +/- 5.47   0.357% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  24.19 +/- 2.94   0.090% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.63 +/- 3.02   0.240% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.56 +/- 3.61   0.207% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  19.97 +/- 5.61   0.281% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  29.18 +/- 4.58   0.059% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  21.81 +/- 3.01   0.138% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.37 +/- 2.03   0.130% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.54 +/- 3.17   0.167% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.75 +/- 4.66   0.112% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.04 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 = 4.24, residual support = 154.2:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  94.199% * 96.5704% (1.00  10.0 10.00   4.24 154.24) =  99.988%  kept
        T QE    LYS+  65 - QD    LYS+  33  15.20 +/- 3.40   0.712% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ASN   28 - QD    LYS+  33   9.18 +/- 1.13   1.388% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD3   LYS+ 111  20.91 +/- 2.89   0.130% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   8.08 +/- 0.76   1.833% *  0.0329% (0.34   1.0  1.00   0.02   5.20) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  17.85 +/- 3.68   0.217% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  27.05 +/- 3.17   0.052% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.99 +/- 3.78   0.113% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.36 +/- 4.02   0.166% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  13.11 +/- 2.73   0.621% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.92 +/- 5.10   0.159% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  23.11 +/- 6.62   0.130% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.89 +/- 3.87   0.090% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  28.62 +/- 4.62   0.052% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.51 +/- 4.95   0.051% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  25.92 +/- 4.32   0.088% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.964, support = 5.22, residual support = 136.4:
    *   T HA    LYS+  33 - QE    LYS+  33   3.88 +/- 0.81  29.357% * 66.4489% (1.00 10.00   5.72 154.24) =  88.000%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.39 +/- 1.37  12.624% * 13.0621% (0.97 10.00   0.41   0.02) =   7.439%  kept
        T HA    GLN   32 - QE    LYS+  33   6.95 +/- 1.13   5.294% * 18.4753% (0.28 10.00   3.59  15.73) =   4.412%  kept
          HA    VAL   18 - QE    LYS+  65  10.67 +/- 4.60   3.049% *  0.5282% (0.49  1.00   0.33   0.02) =   0.073%
        T HA    LYS+  33 - QE    LYS+  65  19.32 +/- 4.38   0.887% *  0.3416% (0.51 10.00   0.02   0.02) =   0.014%
          HA    VAL   18 - QE    LYS+  33   9.86 +/- 2.40   4.537% *  0.0629% (0.95  1.00   0.02   0.02) =   0.013%
          HB2   SER   37 - QE    LYS+  33   6.09 +/- 2.16  17.279% *  0.0148% (0.22  1.00   0.02   0.02) =   0.012%
          HA    VAL   70 - QE    LYS+  65  11.50 +/- 2.46   5.964% *  0.0296% (0.45  1.00   0.02   0.02) =   0.008%
          HA    VAL   70 - QE    LYS+  33  11.33 +/- 2.49   2.947% *  0.0576% (0.87  1.00   0.02   0.02) =   0.008%
        T HA    GLU-  29 - QE    LYS+  65  19.78 +/- 3.95   0.478% *  0.3297% (0.50 10.00   0.02   0.02) =   0.007%
        T HA    GLN   32 - QE    LYS+  65  19.97 +/- 4.67   0.697% *  0.0950% (0.14 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASP-  76  18.88 +/- 4.10   0.410% *  0.0957% (0.14 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HB2   ASP-  76  21.73 +/- 3.85   0.323% *  0.0991% (0.15 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  65  13.78 +/- 2.67   0.990% *  0.0296% (0.45  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   ASP-  76  20.42 +/- 4.05   1.035% *  0.0276% (0.04 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76   9.97 +/- 3.76   4.400% *  0.0052% (0.08  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QE    LYS+  65  16.06 +/- 4.40   1.051% *  0.0180% (0.27  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  21.35 +/- 3.35   0.318% *  0.0576% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  23.53 +/- 6.70   0.292% *  0.0596% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QE    LYS+  65  17.07 +/- 4.12   1.652% *  0.0076% (0.11  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  11.37 +/- 1.07   1.411% *  0.0089% (0.13  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASP-  76  15.50 +/- 6.58   0.906% *  0.0094% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  21.81 +/- 2.67   0.208% *  0.0306% (0.46  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.00 +/- 3.23   0.163% *  0.0350% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  17.27 +/- 1.24   0.395% *  0.0086% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.39 +/- 3.57   0.316% *  0.0105% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  26.34 +/- 4.64   0.135% *  0.0205% (0.31  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  20.25 +/- 3.03   0.306% *  0.0086% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  16.71 +/- 2.51   0.474% *  0.0053% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.06 +/- 1.61   0.784% *  0.0031% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  15.05 +/- 3.85   0.951% *  0.0015% (0.02  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.35 +/- 3.44   0.128% *  0.0103% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  21.68 +/- 2.69   0.238% *  0.0022% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 0.999, support = 5.66, residual support = 154.1:
    *   T QB    LYS+  33 - QE    LYS+  33   2.55 +/- 0.44  64.825% * 97.4704% (1.00 10.00   5.66 154.24) =  99.909%  kept
          HB3   GLN   30 - QE    LYS+  33   6.25 +/- 1.18   7.642% *  0.5139% (0.25  1.00   0.42   0.52) =   0.062%
        T QB    LYS+  33 - QE    LYS+  65  16.31 +/- 3.90   2.097% *  0.5011% (0.51 10.00   0.02   0.02) =   0.017%
          HG3   PRO   68 - QE    LYS+  33  15.50 +/- 3.23   1.229% *  0.0900% (0.92  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QE    LYS+  33  10.15 +/- 1.62   2.190% *  0.0401% (0.41  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  65  10.40 +/- 1.97   1.845% *  0.0463% (0.47  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QE    LYS+  65  18.72 +/- 4.99   3.162% *  0.0206% (0.21  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  18.30 +/- 3.55   0.286% *  0.1454% (0.15 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.47 +/- 1.34   2.719% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  65  17.69 +/- 2.81   0.724% *  0.0474% (0.49  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  65  20.74 +/- 4.12   0.617% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.30 +/- 3.46   0.598% *  0.0484% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.63 +/- 2.38   0.297% *  0.0955% (0.98  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  17.82 +/- 2.49   0.275% *  0.0922% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  18.71 +/- 1.57   0.237% *  0.0922% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  15.30 +/- 4.13   1.659% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  18.63 +/- 3.21   0.401% *  0.0491% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.46 +/- 2.26   0.633% *  0.0284% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  21.70 +/- 4.11   0.169% *  0.0941% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.63 +/- 3.37   1.113% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  18.10 +/- 2.88   0.264% *  0.0484% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.08 +/- 3.70   0.222% *  0.0552% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  21.80 +/- 3.51   0.245% *  0.0497% (0.51  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.53 +/- 4.29   1.468% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  16.83 +/- 4.08   0.710% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.59 +/- 3.96   0.105% *  0.0941% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  21.00 +/- 4.68   0.353% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  27.16 +/- 3.50   0.077% *  0.0966% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  14.46 +/- 1.82   0.510% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  19.84 +/- 2.63   0.295% *  0.0134% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  17.01 +/- 1.51   0.260% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.20 +/- 2.15   0.228% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  18.83 +/- 3.05   0.326% *  0.0077% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  20.02 +/- 2.76   0.175% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  14.81 +/- 3.74   0.560% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.85 +/- 3.24   0.080% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.17 +/- 1.40   0.135% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.43 +/- 2.01   0.087% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.90 +/- 2.15   0.563% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.90 +/- 4.10   0.343% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  23.40 +/- 3.25   0.163% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.10 +/- 3.72   0.114% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 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 = 0.83, support = 4.91, residual support = 155.7:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.70 +/- 0.58  37.524% * 63.8684% (1.00  10.0 10.00   5.20 154.24) =  65.280%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.61 +/- 0.40  39.140% * 32.5421% (0.51  10.0 10.00   4.36 158.63) =  34.694%  kept
        T HG3   LYS+  65 - QE    LYS+  33  16.40 +/- 3.51   0.290% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QE    LYS+  65  17.23 +/- 3.91   0.477% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QE    LYS+  33  17.74 +/- 3.33   0.169% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QE    LYS+  33  10.51 +/- 3.63   1.854% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QE    LYS+  65  19.53 +/- 3.94   0.232% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  33  19.51 +/- 1.96   0.101% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  33  12.18 +/- 3.28   0.644% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HB2   ASP-  76  14.63 +/- 2.87   0.397% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  23.66 +/- 4.47   0.106% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  65  12.39 +/- 2.69   0.714% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  13.04 +/- 1.49   0.327% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QE    LYS+  65  16.24 +/- 3.25   0.519% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  15.68 +/- 3.66   0.549% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  12.41 +/- 2.18   0.416% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  15.72 +/- 3.69   0.779% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  12.74 +/- 2.09   0.404% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.60 +/- 3.79   0.105% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  10.33 +/- 2.45   0.950% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.88 +/- 2.47   0.104% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76   9.84 +/- 1.50   0.850% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.41 +/- 1.99   2.885% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  16.20 +/- 3.65   0.875% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  17.29 +/- 4.80   1.102% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.63 +/- 1.26   3.568% *  0.0015% (0.02   1.0  1.00   0.02   1.24) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  14.14 +/- 2.29   0.280% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  23.80 +/- 3.36   0.055% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  19.96 +/- 5.56   0.245% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.58 +/- 2.30   0.355% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.78 +/- 0.97   1.626% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  24.71 +/- 3.14   0.053% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.49 +/- 2.32   0.315% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.98 +/- 1.63   0.211% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.77 +/- 3.97   0.205% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  16.21 +/- 2.39   0.218% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  19.91 +/- 3.70   0.099% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  20.32 +/- 5.65   0.128% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  15.35 +/- 2.27   0.227% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.92 +/- 2.24   0.070% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.22 +/- 2.98   0.115% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.32 +/- 1.65   0.321% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  17.64 +/- 2.78   0.148% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.02 +/- 2.98   0.185% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  23.19 +/- 2.69   0.063% *  0.0024% (0.04   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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 154.2:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  86.267% * 97.4730% (1.00  10.0 10.00   4.24 154.24) =  99.990%  kept
        T QD    LYS+  33 - QE    LYS+  65  15.20 +/- 3.40   0.653% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.004%
          HD2   LYS+  74 - QE    LYS+  65   9.49 +/- 3.03   4.413% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.35 +/- 2.11   1.661% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  20.91 +/- 2.89   0.118% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+  33  21.13 +/- 5.32   0.509% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  27.05 +/- 3.17   0.047% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.85 +/- 3.68   0.199% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.44 +/- 1.40   3.021% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  15.96 +/- 3.55   0.490% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.38 +/- 3.04   0.211% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.47 +/- 2.64   0.277% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.99 +/- 3.78   0.103% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.95 +/- 3.30   0.705% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.88 +/- 3.70   0.487% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  17.24 +/- 3.93   0.686% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  25.92 +/- 4.41   0.089% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  26.24 +/- 3.51   0.063% *  0.0145% (0.15   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 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 = 0.802, support = 1.93, residual support = 25.0:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  74.154% * 97.7071% (0.80  10.0 10.00   1.93  25.06) =  99.522%  kept
          QG2   THR   39 - HA    ALA   34   4.67 +/- 1.46  20.354% *  1.6941% (0.25   1.0  1.00   1.12   5.25) =   0.474%  kept
        T QB    ALA   34 - HA    ALA  124  17.55 +/- 5.00   0.656% *  0.2243% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HA    ALA   34   7.66 +/- 0.65   1.746% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  13.98 +/- 1.53   0.318% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  15.13 +/- 5.24   1.827% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.88 +/- 2.45   0.112% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.62 +/- 2.24   0.194% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.36 +/- 1.91   0.158% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  20.54 +/- 6.99   0.199% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  24.68 +/- 5.20   0.098% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.93 +/- 2.03   0.074% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  22.83 +/- 2.19   0.065% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.38 +/- 1.53   0.045% *  0.0070% (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 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.1:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  87.009% * 98.8230% (0.80  10.0 10.00   1.93  25.06) =  99.985%  kept
        T HA    ALA  124 - QB    ALA   34  17.55 +/- 5.00   0.748% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.006%
          HA1   GLY  101 - QB    ALA   34   9.35 +/- 4.16   4.500% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASN   28 - QB    ALA   34   6.92 +/- 0.38   2.608% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  36 - QB    ALA   34   6.65 +/- 0.14   2.872% *  0.0170% (0.14   1.0  1.00   0.02   0.36) =   0.001%
          HA    LEU  115 - QB    ALA   34  15.65 +/- 2.93   0.421% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QB    ALA   34   9.28 +/- 1.06   1.242% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  18.34 +/- 3.54   0.311% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.44 +/- 2.84   0.125% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  19.57 +/- 3.67   0.164% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.63 +/- 0.12  73.030% * 98.4270% (1.00  10.0 10.00   4.02  54.60) =  99.978%  kept
        T HB2   ASN   35 - HA    LEU   40  10.23 +/- 1.28   1.478% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   ASN   28 - HA    ASN   35  13.40 +/- 0.74   0.578% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          QE    LYS+  65 - HA    LEU   40  14.91 +/- 3.99   8.000% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HA    ASN   35   7.67 +/- 1.10   3.898% *  0.0336% (0.34   1.0  1.00   0.02   5.20) =   0.002%
        T HB2   ASN   28 - HA    GLU-  15  16.10 +/- 4.30   1.404% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  15  15.99 +/- 3.50   0.543% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  15.69 +/- 1.99   0.435% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASN   35  19.20 +/- 4.87   1.196% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    GLU-  15   9.23 +/- 3.73   4.470% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.22 +/- 1.66   1.744% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  25.38 +/- 7.32   0.168% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  13.98 +/- 3.08   0.695% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  22.39 +/- 5.24   0.187% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.80 +/- 2.61   0.489% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.21 +/- 2.82   0.320% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.86 +/- 3.24   0.169% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.79 +/- 1.94   0.663% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  18.19 +/- 2.59   0.336% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  28.01 +/- 6.23   0.082% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  23.14 +/- 1.98   0.117% *  0.0025% (0.03   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 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   2.41 +/- 0.18  96.519% * 98.9106% (1.00  10.0 10.00   5.56  86.33) =  99.991%  kept
        T HB3   GLU-  29 - HA    GLU-  36  11.91 +/- 1.32   0.899% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU- 100 - HA    GLU-  36  11.43 +/- 3.72   1.896% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.01 +/- 1.05   0.527% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.55 +/- 3.95   0.123% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  34.71 +/- 3.70   0.036% *  0.0679% (0.69   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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.91 +/- 0.77  98.921% * 99.8378% (1.00  10.0 10.00   3.62  86.33) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  20.85 +/- 2.29   0.493% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.19 +/- 3.68   0.295% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  29.05 +/- 7.41   0.290% *  0.0175% (0.18   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 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   3.12 +/- 0.59  97.688% * 99.2256% (1.00  10.0 10.00   3.62  86.33) =  99.996%  kept
        T QB    MET   11 - HA    GLU-  36  18.11 +/- 4.37   0.790% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    GLU-  36  25.59 +/- 4.20   0.482% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  25.13 +/- 3.23   0.352% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.10 +/- 1.28   0.470% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.79 +/- 2.04   0.114% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.06 +/- 2.86   0.103% *  0.0642% (0.65   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 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   2.91 +/- 0.77  98.020% * 99.7630% (1.00  10.0 10.00   3.62  86.33) =  99.999%  kept
          HA    ALA  124 - HG2   GLU-  36  24.25 +/- 7.22   0.798% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG2   GLU-  36  30.37 +/- 5.06   0.202% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  21.76 +/- 3.38   0.833% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.77 +/- 4.14   0.147% *  0.0525% (0.53   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 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   2.40 +/- 0.14  96.298% * 98.9106% (1.00  10.0 10.00   4.28  86.33) =  99.986%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.78 +/- 1.92   1.446% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.013%
          HG3   GLU-  29 - HG2   GLU-  36  12.90 +/- 1.77   0.759% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  12.44 +/- 3.74   1.331% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.64 +/- 4.04   0.128% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  34.99 +/- 4.08   0.038% *  0.0679% (0.69   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 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  99.643% * 99.2256% (1.00  10.0 10.00   3.00  86.33) =  99.999%  kept
        T QB    MET   11 - HG2   GLU-  36  17.19 +/- 4.47   0.148% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HG2   GLU-  36  25.67 +/- 4.43   0.053% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  25.59 +/- 3.04   0.040% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  19.11 +/- 1.83   0.084% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  33.20 +/- 2.76   0.016% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.24 +/- 3.79   0.016% *  0.0642% (0.65   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 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   3.12 +/- 0.59  94.531% * 99.6097% (1.00  10.0 10.00   3.62  86.33) =  99.998%  kept
        T HA    GLU-  36 - QB    MET   11  18.11 +/- 4.37   0.764% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   GLU-  36  24.47 +/- 6.93   0.533% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  30.14 +/- 4.94   0.190% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  21.71 +/- 3.17   0.673% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.69 +/- 4.07   0.149% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  25.60 +/- 6.53   0.780% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.61 +/- 4.76   1.750% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  27.67 +/- 6.07   0.414% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  28.63 +/- 4.14   0.218% *  0.0122% (0.12   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 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   2.37 +/- 0.15  89.821% * 99.4418% (1.00  10.0  1.00   4.28  86.33) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.57 +/- 1.83   1.229% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  12.68 +/- 1.81   0.703% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.62 +/- 3.62   1.768% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  14.77 +/- 6.01   2.392% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  15.30 +/- 6.52   3.130% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  23.93 +/- 3.95   0.118% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.38 +/- 3.85   0.098% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.04 +/- 3.72   0.508% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  33.36 +/- 4.68   0.048% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  34.85 +/- 3.82   0.032% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.35 +/- 4.99   0.152% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 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  99.523% * 99.6937% (1.00  10.0 10.00   3.00  86.33) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  17.19 +/- 4.47   0.147% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  21.46 +/- 2.65   0.066% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  24.43 +/- 3.68   0.051% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  29.30 +/- 7.48   0.039% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  22.67 +/- 4.85   0.099% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.65 +/- 4.07   0.038% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.44 +/- 5.48   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 = 2.58, residual support = 29.5:
    * O T HB2   SER   37 - HA    SER   37   2.92 +/- 0.12  81.238% * 98.0025% (1.00  10.0 10.00   2.58  29.46) =  99.983%  kept
        T HB2   SER   37 - HA    SER   13  14.59 +/- 4.52   1.151% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   SER   37 - HA    THR   46  24.03 +/- 1.43   0.154% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   37   7.22 +/- 0.97   6.517% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   37  14.18 +/- 4.59   1.289% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HA    SER   13  10.62 +/- 0.93   1.876% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   13  15.23 +/- 2.89   3.072% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   37  11.81 +/- 2.11   1.491% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  14.47 +/- 1.68   0.787% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.69 +/- 2.24   0.515% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  22.31 +/- 4.29   0.259% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  14.33 +/- 4.05   1.050% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  24.50 +/- 3.27   0.177% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  25.54 +/- 4.99   0.279% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  25.17 +/- 2.19   0.144% *  0.0216% (0.22   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 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.649, support = 2.33, residual support = 20.6:
    * O T HB3   SER   37 - HA    SER   37   2.74 +/- 0.21  36.484% * 66.5972% (0.84  10.0 10.00   2.58  29.46) =  61.716%  kept
      O T QB    SER   13 - HA    SER   13   2.38 +/- 0.16  54.045% * 27.5614% (0.35  10.0 10.00   1.93   6.39) =  37.835%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.85   5.183% *  3.2775% (0.69   1.0  1.00   1.20   4.62) =   0.432%  kept
        T QB    SER   13 - HA    SER   37  14.13 +/- 4.59   0.468% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   SER   37 - HA    SER   13  14.30 +/- 4.71   0.481% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    THR   46   9.70 +/- 2.12   1.896% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.003%
        T QB    SER   13 - HA    THR   46  23.76 +/- 3.81   0.107% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.58 +/- 1.79   0.054% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  13.95 +/- 1.28   0.292% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  15.60 +/- 4.51   0.299% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  21.97 +/- 3.65   0.096% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.33 +/- 2.23   0.242% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  24.67 +/- 4.61   0.121% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.79 +/- 1.50   0.075% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.54 +/- 4.08   0.030% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.68 +/- 4.68   0.041% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  29.42 +/- 5.52   0.041% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.76 +/- 5.74   0.043% *  0.0145% (0.18   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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 2.58, residual support = 29.4:
    * O T HA    SER   37 - HB2   SER   37   2.92 +/- 0.12  86.071% * 96.7992% (1.00  10.0 10.00   2.58  29.46) =  99.866%  kept
          HA    LEU   40 - HB2   SER   37   7.30 +/- 0.80   6.958% *  1.4321% (0.38   1.0  1.00   0.79   0.70) =   0.119%  kept
        T HA    SER   13 - HB2   SER   37  14.59 +/- 4.52   1.220% *  0.5480% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HA    GLU-  15 - HB2   SER   37  11.82 +/- 4.76   3.163% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   46 - HB2   SER   37  24.03 +/- 1.43   0.163% *  0.9594% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB2   SER   37  14.31 +/- 3.50   1.052% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB2   SER   37  12.93 +/- 0.71   1.023% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  21.97 +/- 3.58   0.350% *  0.0509% (0.53   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 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 = 0.832, support = 1.99, residual support = 29.0:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  76.209% * 93.2813% (0.84  10.0 10.00   2.00  29.46) =  98.145%  kept
          HB    THR   39 - HB2   SER   37   3.26 +/- 1.00  23.309% *  5.7534% (0.69   1.0  1.00   1.50   4.62) =   1.851%  kept
        T QB    SER   13 - HB2   SER   37  13.44 +/- 4.31   0.351% *  0.7225% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR  118 - HB2   SER   37  19.63 +/- 3.52   0.080% *  0.1114% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  28.16 +/- 3.91   0.022% *  0.0933% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  27.46 +/- 5.34   0.029% *  0.0381% (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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.65, support = 2.33, residual support = 20.4:
    * O T HA    SER   37 - HB3   SER   37   2.74 +/- 0.21  36.725% * 68.0513% (0.84  10.0 10.00   2.58  29.46) =  60.908%  kept
      O T HA    SER   13 - QB    SER   13   2.38 +/- 0.16  54.378% * 29.4827% (0.36  10.0 10.00   1.93   6.39) =  39.073%  kept
        T HA    SER   37 - QB    SER   13  14.13 +/- 4.59   0.471% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.006%
        T HA    SER   13 - HB3   SER   37  14.30 +/- 4.71   0.484% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - QB    SER   13   6.81 +/- 0.61   2.428% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.43 +/- 1.30   2.200% *  0.0255% (0.31   1.0  1.00   0.02   0.70) =   0.001%
        T HA    THR   46 - QB    SER   13  23.76 +/- 3.81   0.108% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.35 +/- 1.42   0.823% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   SER   37  11.96 +/- 4.75   1.017% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.58 +/- 1.79   0.054% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  14.65 +/- 3.42   0.325% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.84 +/- 1.11   0.301% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.51 +/- 3.81   0.269% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.72 +/- 3.94   0.145% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.76 +/- 2.77   0.134% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  21.13 +/- 4.05   0.137% *  0.0274% (0.34   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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.5:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  92.789% * 98.1382% (0.84  10.0 10.00   2.00  29.46) =  99.988%  kept
        T HB2   SER   37 - QB    SER   13  13.44 +/- 4.31   0.418% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.003%
        T HA    VAL   70 - HB3   SER   37  10.64 +/- 2.19   0.631% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T HA    VAL   70 - QB    SER   13  14.15 +/- 2.68   0.793% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - HB3   SER   37   6.12 +/- 1.67   3.822% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB3   SER   37  13.04 +/- 4.66   0.497% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.95 +/- 0.78   0.542% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  13.32 +/- 3.94   0.362% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  23.08 +/- 4.72   0.095% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  23.18 +/- 3.25   0.050% *  0.0478% (0.41   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 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 = 6.9, residual support = 221.1:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.75 +/- 0.20  78.341% * 99.6880% (1.00  10.0 10.00   6.91 221.17) =  99.988%  kept
        T HB2   LYS+  38 - HA    GLU- 100   9.41 +/- 5.62  13.009% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.010%
          HB    VAL   70 - HA    LYS+  38  11.85 +/- 2.28   1.797% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  15.47 +/- 0.78   0.466% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.50 +/- 0.90   0.717% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  15.58 +/- 2.86   0.572% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.51 +/- 0.89   0.230% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.43 +/- 4.30   0.851% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.30 +/- 4.98   1.809% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  31.04 +/- 2.91   0.060% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.03 +/- 3.80   0.705% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  14.05 +/- 4.46   0.997% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.37 +/- 3.76   0.372% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  28.95 +/- 2.76   0.074% *  0.0032% (0.03   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 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 221.1:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.55 +/- 0.21  65.534% * 98.2125% (1.00  10.0 10.00   5.89 221.17) =  99.978%  kept
        T HB3   LYS+  38 - HA    GLU- 100   8.72 +/- 5.78  14.725% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   PRO   68 - HA    LYS+  38  14.58 +/- 3.94   1.002% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HA    LYS+  38   8.17 +/- 0.41   2.079% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  38  11.22 +/- 1.21   0.875% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HA    LYS+  38  24.19 +/- 3.70   0.111% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HA    LYS+  38  29.37 +/- 3.68   0.053% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  17.19 +/- 6.47   9.977% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  17.78 +/- 1.31   0.208% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  15.64 +/- 3.61   0.426% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.26 +/- 3.25   0.087% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.63 +/- 1.56   0.272% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.44 +/- 3.36   0.820% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.42 +/- 1.53   0.056% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.47 +/- 3.60   0.080% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  11.65 +/- 3.39   1.309% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  25.83 +/- 3.28   0.077% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  30.39 +/- 3.02   0.043% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.38 +/- 0.59   1.047% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.34 +/- 0.65   0.388% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.52 +/- 0.61   0.475% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.65 +/- 2.52   0.078% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  24.14 +/- 4.38   0.110% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.69 +/- 0.99   0.068% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  28.23 +/- 2.88   0.054% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  29.95 +/- 2.72   0.047% *  0.0017% (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 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.975, support = 6.87, residual support = 215.9:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.98 +/- 0.75  44.940% * 93.0706% (1.00  10.0 10.00   6.91 221.17) =  97.154%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.51 +/- 0.62  20.561% *  5.5125% (0.06   1.0 10.00   5.88  39.76) =   2.633%  kept
        T HG2   LYS+  99 - HA    LYS+  38   8.97 +/- 4.38   9.263% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.196%  kept
        T HG2   LYS+  38 - HA    GLU- 100   9.27 +/- 5.88   8.787% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.011%
          HB2   LEU   31 - HA    LYS+  38  10.06 +/- 0.90   1.628% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LYS+  38  11.28 +/- 3.68   2.930% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  38  17.25 +/- 2.57   0.361% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.23 +/- 2.19   0.334% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  24.78 +/- 3.94   0.134% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  24.36 +/- 4.98   0.175% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  18.23 +/- 5.44   0.437% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.32 +/- 1.28   0.259% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  12.08 +/- 4.03   1.950% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  27.26 +/- 4.13   0.107% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   6.83 +/- 1.54   6.288% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  22.33 +/- 4.20   0.198% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  22.60 +/- 5.87   0.285% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.01 +/- 2.15   0.358% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.83 +/- 3.50   0.311% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.14 +/- 1.92   0.301% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.06 +/- 2.49   0.089% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  20.38 +/- 6.65   0.305% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.15 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.981, support = 6.7, residual support = 204.0:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.51 +/- 0.50  23.388% * 78.8360% (1.00  10.0 10.00   6.96 221.17) =  91.191%  kept
          QG2   THR   39 - HA    LYS+  38   5.31 +/- 0.53   7.723% * 16.4727% (0.90   1.0  1.00   4.66  30.82) =   6.292%  kept
          QB    ALA   34 - HA    LYS+  38   4.36 +/- 0.46  13.777% *  2.2586% (0.80   1.0  1.00   0.72   0.02) =   1.539%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.03 +/- 0.73  10.133% *  1.7879% (0.02   1.0 10.00   4.96  39.76) =   0.896%  kept
        T HG3   LYS+  99 - HA    LYS+  38   9.66 +/- 4.54   2.916% *  0.2959% (0.38   1.0 10.00   0.02   0.02) =   0.043%
        T HG3   LYS+  38 - HA    GLU- 100   9.41 +/- 6.31   9.709% *  0.0476% (0.06   1.0 10.00   0.02   0.02) =   0.023%
          HG13  ILE   19 - HA    LYS+  38  13.10 +/- 2.90   3.295% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   71 - HA    LYS+  38   9.97 +/- 3.47   2.303% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HA    GLU- 100   7.23 +/- 3.87  13.873% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HA    GLU- 100   7.79 +/- 4.21   9.637% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    LYS+  38  18.60 +/- 2.95   0.485% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  21.18 +/- 2.54   0.122% *  0.0746% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  17.57 +/- 1.63   0.228% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.32 +/- 1.88   0.092% *  0.0707% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  13.12 +/- 4.91   1.034% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.06 +/- 3.42   0.465% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  15.97 +/- 3.51   0.296% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.50 +/- 2.67   0.305% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.23 +/- 1.87   0.109% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.79 +/- 1.91   0.112% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.99, residual support = 220.8:
    *   T QD    LYS+  38 - HA    LYS+  38   3.58 +/- 0.65  53.769% * 97.0123% (1.00 10.00   6.00 221.17) =  99.846%  kept
        T QD    LYS+  65 - HA    LYS+  38  17.64 +/- 4.73   5.813% *  0.8955% (0.92 10.00   0.02   0.02) =   0.100%
        T QD    LYS+  38 - HA    GLU- 100   8.44 +/- 5.39  19.277% *  0.0586% (0.06 10.00   0.02   0.02) =   0.022%
        T HD2   LYS+  74 - HA    LYS+  38  18.43 +/- 2.92   1.476% *  0.3309% (0.34 10.00   0.02   0.02) =   0.009%
          QD    LYS+ 102 - HA    LYS+  38  13.49 +/- 4.91   5.404% *  0.0777% (0.80  1.00   0.02   0.02) =   0.008%
        T HB    VAL   83 - HA    LYS+  38  23.96 +/- 5.34   0.423% *  0.9362% (0.97 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  65 - HA    GLU- 100  19.42 +/- 5.50   2.604% *  0.0541% (0.06 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LYS+  38  18.66 +/- 4.97   0.742% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  27.92 +/- 4.18   0.193% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HA    GLU- 100  21.87 +/- 5.87   0.605% *  0.0566% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+  38  21.07 +/- 5.31   0.563% *  0.0549% (0.57  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.32 +/- 0.98   6.026% *  0.0047% (0.05  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HA    GLU- 100  19.38 +/- 3.04   1.267% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  25.99 +/- 2.37   0.187% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.92 +/- 1.58   0.157% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  19.47 +/- 5.74   0.601% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  26.69 +/- 2.57   0.169% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  22.88 +/- 5.84   0.359% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.34 +/- 1.03   0.182% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.32 +/- 0.91   0.181% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.15 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 221.1:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.75 +/- 0.20  85.345% * 99.6785% (1.00  10.0 10.00   6.91 221.17) =  99.963%  kept
        T HA    GLU- 100 - HB2   LYS+  38   9.41 +/- 5.62  14.164% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.037%
          HA    VAL   24 - HB2   LYS+  38  19.71 +/- 1.45   0.250% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  27.33 +/- 5.53   0.128% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  26.94 +/- 3.24   0.113% *  0.0154% (0.15   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 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 = 5.73, residual support = 221.2:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  98.173% * 98.9214% (1.00  10.0 10.00   5.73 221.17) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.17 +/- 0.62   0.717% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.28 +/- 1.32   0.258% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.36 +/- 3.99   0.385% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  32.71 +/- 2.89   0.017% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.72 +/- 1.32   0.072% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.72 +/- 3.62   0.140% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.15 +/- 3.29   0.032% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  25.79 +/- 3.62   0.043% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.53 +/- 1.60   0.091% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.31 +/- 3.49   0.031% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.72 +/- 1.53   0.021% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  31.31 +/- 3.71   0.020% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.74, residual support = 221.1:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.63 +/- 0.15  91.539% * 98.5858% (1.00  10.0 10.00   6.75 221.17) =  99.950%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  10.38 +/- 4.55   4.540% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.049%
          HB2   LEU   31 - HB2   LYS+  38  12.26 +/- 1.09   1.019% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB2   LYS+  38  13.45 +/- 3.68   1.244% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.53 +/- 5.77   0.619% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.02 +/- 2.34   0.287% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.08 +/- 2.22   0.211% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  26.69 +/- 3.75   0.107% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  29.30 +/- 4.34   0.102% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.46 +/- 1.25   0.209% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  26.36 +/- 4.78   0.124% *  0.0558% (0.57   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.35, residual support = 216.7:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.64 +/- 0.37  75.145% * 80.7353% (1.00  10.0 10.00   6.41 221.17) =  97.717%  kept
          QG2   THR   39 - HB2   LYS+  38   6.07 +/- 0.69   7.588% * 15.8983% (0.90   1.0  1.00   4.39  30.82) =   1.943%  kept
          QB    ALA   34 - HB2   LYS+  38   6.29 +/- 0.57   7.081% *  2.7802% (0.80   1.0  1.00   0.86   0.02) =   0.317%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  11.02 +/- 4.72   4.003% *  0.3030% (0.38   1.0 10.00   0.02   0.02) =   0.020%
          HG    LEU   71 - HB2   LYS+  38  11.01 +/- 3.74   3.651% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  14.63 +/- 2.96   1.639% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  38  22.81 +/- 2.57   0.153% *  0.0764% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  20.56 +/- 3.03   0.374% *  0.0275% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.15 +/- 1.72   0.264% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.26 +/- 1.80   0.103% *  0.0724% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 221.1:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.55 +/- 0.21  81.503% * 99.5407% (1.00  10.0 10.00   5.89 221.17) =  99.950%  kept
        T HA    GLU- 100 - HB3   LYS+  38   8.72 +/- 5.78  18.102% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.049%
        T HD2   PRO   58 - HB3   LYS+  38  26.08 +/- 3.26   0.097% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HB3   LYS+  38  19.68 +/- 1.59   0.196% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  26.57 +/- 5.33   0.101% *  0.0197% (0.20   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 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 221.2:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.039% * 99.2933% (1.00  10.0 10.00   5.73 221.17) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.52 +/- 2.49   0.475% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  32.43 +/- 2.61   0.017% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  17.69 +/- 0.94   0.099% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.71 +/- 1.02   0.144% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  16.56 +/- 3.38   0.172% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.74 +/- 1.06   0.053% *  0.0339% (0.34   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 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 = 220.7:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.01 +/- 0.04  77.577% * 98.5858% (1.00  10.0 10.00   5.64 221.17) =  99.787%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   9.33 +/- 5.02  16.644% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.210%  kept
          HB2   LEU   31 - HB3   LYS+  38  12.30 +/- 1.18   1.307% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+  38  12.49 +/- 3.77   1.982% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.97 +/- 5.82   0.975% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.14 +/- 2.45   0.432% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  20.37 +/- 2.22   0.313% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  25.88 +/- 3.66   0.151% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  28.12 +/- 4.51   0.137% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.57 +/- 1.38   0.304% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  25.68 +/- 4.64   0.179% *  0.0558% (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 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 217.5:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.64 +/- 0.13  73.792% * 82.9571% (1.00  10.0 10.00   5.54 221.17) =  98.096%  kept
          QG2   THR   39 - HB3   LYS+  38   5.95 +/- 0.55   7.507% * 14.2779% (0.90   1.0  1.00   3.84  30.82) =   1.718%  kept
          QB    ALA   34 - HB3   LYS+  38   6.26 +/- 0.57   6.432% *  1.4564% (0.80   1.0  1.00   0.44   0.02) =   0.150%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   9.99 +/- 5.18   6.299% *  0.3113% (0.38   1.0 10.00   0.02   0.02) =   0.031%
        T QG2   ILE   56 - HB3   LYS+  38  21.98 +/- 2.64   0.149% *  0.7847% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  10.65 +/- 3.83   3.821% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HB3   LYS+  38  14.77 +/- 3.23   1.398% *  0.0470% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB3   LYS+  38  19.92 +/- 3.16   0.285% *  0.0283% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.36 +/- 1.77   0.214% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.46 +/- 1.87   0.102% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 221.1:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.26 +/- 0.18  93.568% * 98.0597% (1.00  10.0 10.00   4.63 221.17) =  99.975%  kept
        T QD    LYS+  65 - HB3   LYS+  38  18.27 +/- 4.68   2.056% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.020%
          QD    LYS+ 102 - HB3   LYS+  38  14.15 +/- 5.28   2.989% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HB3   LYS+  38  19.64 +/- 3.11   0.249% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  18.97 +/- 5.36   0.569% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LYS+  38  28.83 +/- 4.50   0.068% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  21.13 +/- 5.78   0.276% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.33 +/- 4.90   0.110% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.15 +/- 2.63   0.063% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.12 +/- 1.69   0.053% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.973, support = 6.88, residual support = 216.0:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.98 +/- 0.75  52.744% * 93.7297% (1.00  10.0 10.00   6.91 221.17) =  97.184%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.51 +/- 0.62  24.304% *  5.6871% (0.06   1.0 10.00   5.88  39.76) =   2.717%  kept
        T HA    LYS+  38 - HG2   LYS+  99   8.97 +/- 4.38  11.104% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.056%
        T HA    GLU- 100 - HG2   LYS+  38   9.27 +/- 5.88  10.480% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.043%
          HA    VAL   24 - HG2   LYS+  38  19.65 +/- 1.11   0.228% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.75 +/- 4.16   0.468% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  27.31 +/- 5.50   0.131% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.69 +/- 3.02   0.116% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  24.03 +/- 6.00   0.274% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.08 +/- 2.93   0.149% *  0.0039% (0.04   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 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 221.1:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.63 +/- 0.15  89.457% * 99.4277% (1.00  10.0 10.00   6.75 221.17) =  99.985%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  10.38 +/- 4.55   4.438% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.014%
          HG3   GLU-  29 - HG2   LYS+  38  17.09 +/- 1.13   0.346% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.21 +/- 2.27   1.023% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  14.97 +/- 1.25   0.529% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  16.49 +/- 3.07   0.486% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.07 +/- 3.84   0.511% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  17.58 +/- 3.52   0.764% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  13.05 +/- 4.37   1.185% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.30 +/- 1.08   0.178% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  21.84 +/- 4.56   0.486% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.76 +/- 3.60   0.473% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  33.17 +/- 2.78   0.050% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  29.11 +/- 2.18   0.073% *  0.0143% (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 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 221.0:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.01 +/- 0.04  65.399% * 98.9095% (1.00  10.0 10.00   5.64 221.17) =  99.934%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   9.33 +/- 5.02  14.070% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.059%
          QB    LYS+  33 - HG2   LYS+  38   9.25 +/- 0.62   2.337% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  99  14.41 +/- 3.15   3.132% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  38  13.26 +/- 1.20   0.823% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  38  15.09 +/- 4.31   2.540% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  99  15.58 +/- 6.42   3.172% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.80 +/- 2.51   1.665% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  19.43 +/- 1.35   0.254% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  13.04 +/- 0.94   0.867% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  17.31 +/- 3.82   0.554% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.62 +/- 0.81   1.604% *  0.0083% (0.08   1.0  1.00   0.02   0.57) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.08 +/- 0.88   1.932% *  0.0067% (0.07   1.0  1.00   0.02   0.50) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  26.88 +/- 3.01   0.108% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.20 +/- 1.47   0.314% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.54 +/- 3.38   0.143% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.46 +/- 1.63   0.072% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  27.31 +/- 3.55   0.107% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.44 +/- 2.72   0.171% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.65 +/- 3.65   0.190% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  32.53 +/- 2.83   0.057% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.99 +/- 1.02   0.116% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  25.32 +/- 3.53   0.138% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  31.10 +/- 3.77   0.067% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  28.42 +/- 2.40   0.084% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.46 +/- 3.01   0.085% *  0.0075% (0.08   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 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 = 6.57, residual support = 215.4:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  46.017% * 76.4680% (1.00  10.0 10.00   6.59 221.17) =  90.001%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  46.017% *  7.8215% (0.10  10.0 10.00   6.58 174.46) =   9.206%  kept
          QG2   THR   39 - HG2   LYS+  38   5.91 +/- 1.29   2.109% * 14.4785% (0.90   1.0  1.00   4.22  30.82) =   0.781%  kept
        T HG3   LYS+  38 - HG2   LYS+  99  10.22 +/- 5.24   0.875% *  0.2084% (0.27   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  99 - HG2   LYS+  38  10.84 +/- 4.72   0.515% *  0.2870% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HG2   LYS+  38   6.35 +/- 0.63   1.077% *  0.0612% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HG2   LYS+  99   8.22 +/- 2.73   1.233% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HG2   LYS+  99   7.98 +/- 3.55   0.992% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  20.50 +/- 2.77   0.044% *  0.2608% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.20 +/- 3.46   0.324% *  0.0236% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  14.52 +/- 2.70   0.149% *  0.0433% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.55 +/- 2.27   0.045% *  0.0711% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  12.80 +/- 4.53   0.278% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.58 +/- 2.43   0.024% *  0.0723% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.10 +/- 1.38   0.038% *  0.0343% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.08 +/- 1.74   0.017% *  0.0686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  15.84 +/- 3.29   0.096% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.96 +/- 3.37   0.084% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.47 +/- 2.09   0.038% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.66 +/- 1.85   0.026% *  0.0187% (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 = 0.999, support = 5.75, residual support = 221.0:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.39 +/- 0.15  81.306% * 96.4250% (1.00  10.0 10.00   5.75 221.17) =  99.916%  kept
        T QD    LYS+ 102 - HG2   LYS+  38  14.57 +/- 5.50   3.485% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.034%
        T QD    LYS+  38 - HG2   LYS+  99   8.92 +/- 4.68   7.199% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.024%
        T QD    LYS+  65 - HG2   LYS+  38  18.50 +/- 4.77   0.967% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+ 102 - HG2   LYS+  99   8.75 +/- 1.50   3.406% *  0.2104% (0.22   1.0 10.00   0.02   1.29) =   0.009%
        T QD    LYS+  65 - HG2   LYS+  99  18.49 +/- 5.25   1.109% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HG2   LYS+  38  20.27 +/- 2.71   0.186% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+  38  19.65 +/- 5.19   0.308% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.38 +/- 2.57   0.225% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  29.61 +/- 4.25   0.065% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  21.76 +/- 5.52   0.225% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  16.38 +/- 6.19   0.521% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  26.06 +/- 5.06   0.100% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.32 +/- 3.19   0.104% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  19.43 +/- 6.47   0.351% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  23.21 +/- 5.41   0.168% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  27.92 +/- 2.42   0.061% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.07 +/- 0.95   0.083% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.92 +/- 1.60   0.051% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.44 +/- 0.94   0.080% *  0.0059% (0.06   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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 6.94, residual support = 219.0:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.51 +/- 0.50  48.820% * 97.3136% (1.00  10.0 10.00   6.96 221.17) =  98.847%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.03 +/- 0.73  22.396% *  2.2608% (0.02   1.0 10.00   4.96  39.76) =   1.053%  kept
        T HA    GLU- 100 - HG3   LYS+  38   9.41 +/- 6.31  17.657% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.080%
        T HA    LYS+  38 - HG3   LYS+  99   9.66 +/- 4.54   8.976% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.019%
          HA    VAL   24 - HG3   LYS+  38  20.36 +/- 1.34   0.284% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.17 +/- 4.35   1.086% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  27.55 +/- 5.59   0.149% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  26.90 +/- 2.93   0.141% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  24.31 +/- 6.27   0.300% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  24.12 +/- 2.76   0.192% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 221.2:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.64 +/- 0.37  88.980% * 99.6340% (1.00  10.0 10.00   6.41 221.17) =  99.993%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  11.02 +/- 4.72   4.758% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HG3   LYS+  38  18.03 +/- 0.92   0.338% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.36 +/- 2.30   1.089% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.92 +/- 1.03   0.501% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  16.94 +/- 3.20   0.553% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.14 +/- 0.98   0.180% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  13.29 +/- 4.62   1.799% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  33.45 +/- 2.77   0.059% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.61 +/- 4.07   0.325% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.12 +/- 3.72   0.455% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  18.07 +/- 3.79   0.601% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  22.28 +/- 4.80   0.282% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  29.20 +/- 2.28   0.079% *  0.0055% (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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 221.1:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.64 +/- 0.13  76.199% * 98.2474% (1.00  10.0 10.00   5.54 221.17) =  99.987%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   9.99 +/- 5.18   6.463% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.009%
        T HB    ILE   56 - HG3   LYS+  38  27.03 +/- 2.93   0.082% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38  10.15 +/- 0.54   1.409% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  14.07 +/- 1.16   0.550% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  38  15.00 +/- 4.28   1.584% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.91 +/- 3.34   1.834% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  19.48 +/- 1.92   0.205% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.47 +/- 2.43   0.123% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  17.42 +/- 4.30   0.441% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  15.68 +/- 6.54   4.496% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.16 +/- 2.17   0.259% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  25.76 +/- 3.27   0.103% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99   9.99 +/- 1.25   2.146% *  0.0026% (0.03   1.0  1.00   0.02   0.50) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.95 +/- 1.07   0.818% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.29 +/- 2.66   1.135% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.65 +/- 1.85   0.057% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.38 +/- 0.76   1.436% *  0.0032% (0.03   1.0  1.00   0.02   0.57) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.59 +/- 3.76   0.076% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  32.83 +/- 2.83   0.043% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  31.34 +/- 3.75   0.057% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.67 +/- 3.52   0.139% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.98 +/- 0.94   0.095% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  25.53 +/- 3.88   0.117% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  28.52 +/- 2.48   0.068% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  28.57 +/- 2.42   0.066% *  0.0029% (0.03   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.59, residual support = 216.8:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.306% * 89.3736% (1.00  10.0 10.00   6.59 221.17) =  90.704%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.306% *  9.1415% (0.10  10.0 10.00   6.58 174.46) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  10.22 +/- 5.24   0.919% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.017%
        T HG2   LYS+  38 - HG3   LYS+  99  10.84 +/- 4.72   0.541% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  12.93 +/- 1.34   0.137% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.37 +/- 4.37   0.224% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  18.96 +/- 2.46   0.047% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.17 +/- 5.55   0.093% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.54 +/- 2.97   0.023% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.25 +/- 2.10   0.031% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.69 +/- 3.68   0.017% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.50 +/- 1.16   0.789% *  0.0014% (0.02   1.0  1.00   0.02  17.72) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.01 +/- 4.51   0.015% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.52 +/- 1.22   0.031% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.68 +/- 4.98   0.019% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.31 +/- 3.29   0.130% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.37 +/- 7.20   0.143% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.32 +/- 3.47   0.067% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  22.91 +/- 3.95   0.028% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.35 +/- 1.68   0.047% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.42 +/- 1.82   0.055% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.20 +/- 5.84   0.033% *  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 = 5.59, residual support = 221.1:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.35 +/- 0.16  79.488% * 97.6899% (1.00  10.0 10.00   5.59 221.17) =  99.965%  kept
        T QD    LYS+  65 - HG3   LYS+  38  18.73 +/- 4.94   1.173% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.014%
        T QD    LYS+  38 - HG3   LYS+  99   9.43 +/- 4.85   7.816% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 102 - HG3   LYS+  99   8.70 +/- 1.96   6.225% *  0.0816% (0.08   1.0 10.00   0.02   1.29) =   0.007%
          QD    LYS+ 102 - HG3   LYS+  38  14.61 +/- 5.83   2.527% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HG3   LYS+  38  20.56 +/- 3.00   0.225% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  99  18.59 +/- 5.07   0.477% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  38  19.57 +/- 4.93   0.236% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  29.69 +/- 4.46   0.050% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  21.65 +/- 5.39   0.173% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  26.31 +/- 5.21   0.086% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.55 +/- 2.40   0.210% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  16.21 +/- 6.23   0.542% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.12 +/- 2.43   0.050% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.18 +/- 2.75   0.084% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  19.23 +/- 6.52   0.316% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  23.48 +/- 5.74   0.128% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.11 +/- 1.65   0.043% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.08 +/- 0.86   0.077% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.42 +/- 0.88   0.073% *  0.0023% (0.02   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 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 220.9:
    *   T HA    LYS+  38 - QD    LYS+  38   3.58 +/- 0.65  55.563% * 98.6212% (1.00 10.00   6.00 221.17) =  99.885%  kept
        T HA    GLU- 100 - QD    LYS+  38   8.44 +/- 5.39  19.787% *  0.2196% (0.22 10.00   0.02   0.02) =   0.079%
        T HA    LYS+  38 - QD    LYS+  65  17.64 +/- 4.73   6.013% *  0.1802% (0.18 10.00   0.02   0.02) =   0.020%
        T HA    LYS+  38 - HD2   LYS+  74  18.43 +/- 2.92   1.518% *  0.2163% (0.22 10.00   0.02   0.02) =   0.006%
        T HA    GLU- 100 - QD    LYS+  65  19.42 +/- 5.50   2.692% *  0.0401% (0.04 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  65  10.92 +/- 1.92   2.857% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  19.38 +/- 3.04   1.302% *  0.0481% (0.05 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  13.69 +/- 2.55   1.840% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  24.56 +/- 4.40   0.306% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  24.03 +/- 2.94   0.253% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  16.25 +/- 2.09   0.849% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  18.64 +/- 1.40   0.468% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  12.96 +/- 2.09   1.891% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  27.92 +/- 4.18   0.199% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  20.63 +/- 2.61   0.384% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  17.24 +/- 2.92   0.983% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  26.69 +/- 2.57   0.175% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.30 +/- 3.44   2.257% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  24.65 +/- 4.80   0.284% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.99 +/- 3.94   0.379% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 5.36, residual support = 221.2:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.92 +/- 0.40  73.365% * 99.6020% (1.00  10.0   5.36 221.17) =  99.996%  kept
          HB    VAL   70 - QD    LYS+  38  12.00 +/- 2.73   2.400% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  16.79 +/- 0.88   0.469% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  65   9.92 +/- 4.04   5.121% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  14.98 +/- 0.90   0.653% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  11.09 +/- 5.49   3.896% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  18.82 +/- 4.51   0.859% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  15.71 +/- 2.89   0.626% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74   9.68 +/- 2.04   3.415% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.36 +/- 1.53   4.077% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.41 +/- 0.98   0.259% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  20.27 +/- 2.94   0.341% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  18.07 +/- 2.29   0.375% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  20.00 +/- 3.60   0.403% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  18.64 +/- 3.11   0.461% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  29.74 +/- 2.14   0.081% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  21.97 +/- 3.86   0.354% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  17.09 +/- 2.49   0.423% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  17.72 +/- 2.22   0.370% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.27 +/- 3.39   0.409% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  20.08 +/- 3.16   0.344% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.74 +/- 3.68   0.431% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  29.98 +/- 4.29   0.114% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  30.66 +/- 4.35   0.100% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  29.43 +/- 5.14   0.150% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.52 +/- 3.26   0.230% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  23.79 +/- 3.43   0.175% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  30.36 +/- 4.16   0.099% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 221.1:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.26 +/- 0.18  69.148% * 98.4611% (1.00  10.0 10.00   4.63 221.17) =  99.989%  kept
        T HB3   LYS+  38 - QD    LYS+  65  18.27 +/- 4.68   1.521% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.85 +/- 2.55   1.168% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD    LYS+  38  13.30 +/- 4.52   2.190% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  19.64 +/- 3.11   0.184% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  38  13.17 +/- 1.33   0.395% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  38   9.89 +/- 0.50   0.894% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   LYS+  74  15.81 +/- 2.16   0.314% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   9.07 +/- 2.22   2.368% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  13.88 +/- 2.98   3.934% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  15.38 +/- 3.15   1.083% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.71 +/- 2.13   0.684% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  11.27 +/- 3.65   1.952% *  0.0072% (0.07   1.0  1.00   0.02   1.79) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.36 +/- 3.77   2.401% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  17.13 +/- 1.44   0.176% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  15.27 +/- 3.65   0.414% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  14.68 +/- 3.32   0.479% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.06 +/- 3.57   1.181% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.92 +/- 1.98   0.242% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.61 +/- 2.80   0.513% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  11.81 +/- 3.42   1.149% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.29 +/- 1.57   0.406% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.07 +/- 2.95   0.070% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  23.07 +/- 3.09   0.086% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  15.10 +/- 3.46   0.868% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  16.10 +/- 2.62   0.273% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.82 +/- 1.49   1.119% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.39 +/- 1.58   0.335% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.29 +/- 1.46   0.047% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  28.83 +/- 4.50   0.050% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.66 +/- 2.94   0.066% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  18.64 +/- 3.60   0.236% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.27 +/- 3.74   0.602% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  15.97 +/- 1.34   0.230% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.23 +/- 2.80   0.248% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  18.21 +/- 3.00   0.193% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  18.28 +/- 2.96   0.175% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  29.19 +/- 2.29   0.035% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  28.00 +/- 3.74   0.045% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.94 +/- 3.12   0.213% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  14.87 +/- 4.07   0.520% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  21.72 +/- 3.88   0.117% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  18.23 +/- 1.64   0.152% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  20.13 +/- 4.05   0.222% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.77 +/- 3.16   0.410% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.92 +/- 2.12   0.167% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  18.65 +/- 3.58   0.199% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  25.53 +/- 3.61   0.060% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  22.85 +/- 3.51   0.094% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  23.75 +/- 4.13   0.191% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.81 +/- 2.68   0.131% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  26.72 +/- 2.99   0.050% *  0.0030% (0.03   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 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.97, support = 5.76, residual support = 223.9:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.39 +/- 0.15  47.492% * 91.2181% (1.00  10.0 10.00   5.75 221.17) =  96.775%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.96 +/- 0.07  25.496% *  5.4974% (0.06  10.0 10.00   6.21 314.55) =   3.131%  kept
        T HG2   LYS+  99 - QD    LYS+  38   8.92 +/- 4.68   4.138% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.083%
        T HG2   LYS+  99 - QD    LYS+  65  18.49 +/- 5.25   0.603% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  38 - QD    LYS+  65  18.50 +/- 4.77   0.523% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  38  25.62 +/- 4.37   0.064% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+  38  11.78 +/- 1.29   0.474% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   6.73 +/- 1.51   4.550% *  0.0068% (0.07   1.0  1.00   0.02   5.17) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+  74  19.38 +/- 2.57   0.132% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   8.26 +/- 1.84   2.805% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+  74   8.42 +/- 2.48   2.535% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+  74  20.27 +/- 2.71   0.109% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  20.34 +/- 2.74   0.101% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  19.99 +/- 2.46   0.108% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.92 +/- 0.83   1.597% *  0.0075% (0.08   1.0  1.00   0.02   3.17) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.92 +/- 3.49   0.724% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.06 +/- 4.20   0.813% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  16.95 +/- 2.62   0.185% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.27 +/- 5.31   0.320% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  10.62 +/- 2.45   0.940% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.60 +/- 4.93   1.967% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.95 +/- 2.56   0.336% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  23.67 +/- 3.18   0.059% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.97 +/- 1.89   0.110% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  13.30 +/- 2.23   0.391% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.53 +/- 2.40   0.550% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.32 +/- 3.19   0.058% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.40 +/- 1.54   0.113% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.87 +/- 3.76   0.062% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.69 +/- 2.19   0.165% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  29.61 +/- 4.25   0.037% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.33 +/- 3.32   0.160% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.54 +/- 3.24   0.490% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  18.19 +/- 2.85   0.135% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.53 +/- 2.45   0.336% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  15.11 +/- 2.43   0.315% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.45 +/- 2.25   0.148% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.44 +/- 2.82   0.255% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.86 +/- 2.43   0.174% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.81 +/- 2.73   0.116% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.04 +/- 4.92   0.083% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  26.40 +/- 4.75   0.059% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.39 +/- 1.63   0.084% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.18 +/- 2.93   0.086% *  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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.957, support = 5.57, residual support = 217.6:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.16  41.055% * 79.1805% (1.00  10.0 10.00   5.59 221.17) =  94.445%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.77 +/- 0.23  26.248% *  5.9229% (0.07  10.0 10.00   5.54 187.00) =   4.517%  kept
          QG2   THR   39 - QD    LYS+  38   6.24 +/- 0.75   2.561% * 13.2422% (0.90   1.0  1.00   3.73  30.82) =   0.985%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.43 +/- 4.85   4.064% *  0.2972% (0.38   1.0 10.00   0.02   0.02) =   0.035%
          QB    ALA   34 - QD    LYS+  38   6.61 +/- 0.76   2.162% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   34 - QD    LYS+  65  13.26 +/- 3.53   7.100% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - QD    LYS+  65  18.73 +/- 4.94   0.536% *  0.1446% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - QD    LYS+  65   9.65 +/- 2.35   0.943% *  0.0493% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  18.84 +/- 2.93   0.140% *  0.2701% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HD2   LYS+  74  12.52 +/- 2.25   2.365% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  65  12.01 +/- 3.34   2.388% *  0.0130% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.69 +/- 3.49   1.110% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  20.56 +/- 3.00   0.115% *  0.1736% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  65  12.31 +/- 4.29   1.736% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.34 +/- 2.64   0.293% *  0.0448% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.59 +/- 5.07   0.221% *  0.0543% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  11.97 +/- 2.78   0.564% *  0.0164% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.36 +/- 2.60   1.334% *  0.0056% (0.07   1.0  1.00   0.02   1.79) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.55 +/- 2.40   0.107% *  0.0652% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.38 +/- 1.35   0.472% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.06 +/- 2.45   0.414% *  0.0156% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.68 +/- 2.10   0.360% *  0.0156% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  11.58 +/- 4.73   0.559% *  0.0098% (0.12   1.0  1.00   0.02   7.80) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.24 +/- 2.50   0.071% *  0.0749% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.50 +/- 1.79   0.051% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.68 +/- 2.96   0.755% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.96 +/- 3.49   0.255% *  0.0130% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  18.22 +/- 1.32   0.093% *  0.0355% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  12.53 +/- 2.98   0.402% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.27 +/- 3.03   0.432% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.88 +/- 3.45   0.098% *  0.0203% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.49 +/- 1.77   0.357% *  0.0054% (0.07   1.0  1.00   0.02   0.58) =   0.000%
          QG2   THR   23 - QD    LYS+  65  15.28 +/- 2.38   0.276% *  0.0065% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  29.69 +/- 4.46   0.026% *  0.0596% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.18 +/- 2.75   0.042% *  0.0224% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  21.38 +/- 3.06   0.070% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  21.75 +/- 2.64   0.058% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  23.02 +/- 4.56   0.092% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  25.51 +/- 2.54   0.034% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.86 +/- 3.79   0.044% *  0.0018% (0.02   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 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 = 37.3:
    * O T HB    THR   39 - HA    THR   39   2.84 +/- 0.20  81.044% * 98.6574% (1.00  10.0 10.00   3.00  37.27) =  99.979%  kept
          HB3   SER   37 - HA    THR   39   5.82 +/- 0.38   9.823% *  0.0952% (0.97   1.0  1.00   0.02   4.62) =   0.012%
        T HB    THR   39 - HA    ILE  103  13.14 +/- 2.61   1.251% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   13 - HA    THR   39  15.21 +/- 4.29   1.037% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   39  16.93 +/- 3.89   0.880% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  10.78 +/- 1.83   2.152% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    THR   39  29.26 +/- 2.22   0.077% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  14.20 +/- 3.78   1.041% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.03 +/- 3.14   0.656% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  19.17 +/- 4.14   0.443% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.21 +/- 2.06   0.126% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  26.21 +/- 3.42   0.121% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  26.46 +/- 3.87   0.139% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  22.19 +/- 6.29   0.400% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.58 +/- 3.31   0.203% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.18 +/- 2.73   0.607% *  0.0081% (0.08   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.872, support = 3.05, residual support = 36.5:
    * O T QG2   THR   39 - HA    THR   39   2.54 +/- 0.40  56.463% * 71.9826% (0.87  10.0 10.00   3.00  37.27) =  94.620%  kept
          HG3   LYS+  38 - HA    THR   39   5.67 +/- 1.33   8.724% * 19.0208% (1.00   1.0  1.00   4.59  30.82) =   3.863%  kept
          QB    ALA   34 - HA    THR   39   5.27 +/- 0.93   9.208% *  6.9464% (0.84   1.0  1.00   2.00   5.25) =   1.489%  kept
        T QG2   THR   39 - HA    ILE  103  11.08 +/- 2.71   1.747% *  0.2378% (0.29   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   71 - HA    THR   39   7.20 +/- 3.57  10.089% *  0.0231% (0.28   1.0  1.00   0.02   0.14) =   0.005%
          HG3   LYS+  99 - HA    THR   39   9.07 +/- 4.76   4.780% *  0.0283% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   23 - HA    THR   39  17.31 +/- 2.04   0.210% *  0.4039% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    THR   39  22.11 +/- 1.61   0.112% *  0.7198% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  16.78 +/- 2.05   0.255% *  0.2378% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HA    THR   39  11.48 +/- 3.48   1.269% *  0.0437% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE  103  10.29 +/- 2.60   1.503% *  0.0229% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ILE  103  18.17 +/- 3.33   0.239% *  0.1334% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   7.65 +/- 0.87   3.167% *  0.0094% (0.11   1.0  1.00   0.02   0.50) =   0.001%
          QG2   ILE   56 - HA    THR   39  19.07 +/- 2.31   0.212% *  0.0801% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  15.38 +/- 3.91   0.446% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.43 +/- 2.41   0.307% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  16.65 +/- 1.78   0.287% *  0.0265% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  15.02 +/- 3.85   0.512% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.39 +/- 2.44   0.232% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.27 +/- 1.55   0.238% *  0.0085% (0.10   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 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.3:
    * O T HA    THR   39 - HB    THR   39   2.84 +/- 0.20  96.538% * 98.7925% (1.00  10.0 10.00   3.00  37.27) =  99.987%  kept
        T HA    ILE  103 - HB    THR   39  13.14 +/- 2.61   1.495% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASP-  44 - HB    THR   39  15.85 +/- 1.17   0.599% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  22.46 +/- 2.31   0.232% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.15 +/- 3.21   0.280% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  20.15 +/- 4.50   0.382% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  22.26 +/- 1.96   0.236% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.25 +/- 3.63   0.108% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  28.06 +/- 3.61   0.131% *  0.0599% (0.61   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 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 = 2.86, residual support = 30.6:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.01  57.977% * 44.7055% (0.87  10.0 10.00   2.92  37.27) =  77.290%  kept
        T QB    ALA   34 - HB    THR   39   4.51 +/- 1.43  15.764% * 43.0481% (0.84   1.0 10.00   2.48   5.25) =  20.236%  kept
          HG3   LYS+  38 - HB    THR   39   6.97 +/- 1.46   7.305% * 11.2656% (1.00   1.0  1.00   4.38  30.82) =   2.454%  kept
        T HG3   LYS+  99 - HB    THR   39   9.93 +/- 3.98   1.801% *  0.1758% (0.34   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   71 - HB    THR   39   7.02 +/- 3.97  15.125% *  0.0143% (0.28   1.0  1.00   0.02   0.14) =   0.006%
        T QG2   THR   23 - HB    THR   39  15.86 +/- 2.58   0.183% *  0.2509% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB    THR   39  10.01 +/- 3.89   1.350% *  0.0271% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  21.83 +/- 1.71   0.059% *  0.4471% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  19.07 +/- 2.66   0.114% *  0.0497% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  15.89 +/- 2.86   0.322% *  0.0159% (0.31   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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 37.3:
    * O T HA    THR   39 - QG2   THR   39   2.54 +/- 0.40  68.027% * 96.3159% (0.87  10.0 10.00   3.00  37.27) =  99.952%  kept
        T HA    ILE  103 - QG2   THR   39  11.08 +/- 2.71   2.194% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.023%
          HB    THR   77 - QB    ALA   91   6.56 +/- 1.54   9.729% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T HB    THR   77 - QG2   THR   23  15.07 +/- 3.56   0.541% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QG2   THR   23  12.81 +/- 6.33   3.102% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  17.31 +/- 2.04   0.251% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QG2   THR   23  18.17 +/- 3.33   0.319% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  16.78 +/- 2.05   0.304% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QB    ALA   91  10.87 +/- 3.30   2.211% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QB    ALA   91   8.69 +/- 1.08   2.606% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  22.11 +/- 1.61   0.134% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   23  16.46 +/- 5.74   2.112% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   THR   23  20.37 +/- 5.14   0.984% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   91  12.00 +/- 2.12   1.091% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91   9.65 +/- 1.26   1.729% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  13.02 +/- 0.90   0.667% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   23  17.43 +/- 4.79   0.815% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   39  17.27 +/- 2.07   0.364% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  13.16 +/- 2.89   0.762% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  18.63 +/- 2.26   0.249% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.65 +/- 3.58   0.377% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  18.91 +/- 5.56   0.495% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.08 +/- 2.70   0.149% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  18.43 +/- 1.63   0.221% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.83 +/- 1.66   0.385% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  23.54 +/- 2.66   0.115% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  29.27 +/- 3.93   0.067% *  0.0221% (0.20   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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 2.89, residual support = 36.8:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.01  62.223% * 90.9710% (0.87  10.0 10.00   2.92  37.27) =  98.377%  kept
          HB3   SER   37 - QG2   THR   39   4.14 +/- 0.94  15.724% *  3.2923% (0.84   1.0  1.00   0.75   4.62) =   0.900%  kept
          HA    ILE   89 - QB    ALA   91   4.66 +/- 1.22  10.263% *  4.0069% (0.40   1.0  1.00   1.93   7.73) =   0.715%  kept
        T HB    THR   39 - QG2   THR   23  15.86 +/- 2.58   0.209% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   13 - QG2   THR   39  11.87 +/- 3.64   0.824% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QG2   THR   39   8.07 +/- 2.18   2.619% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   91   9.63 +/- 3.94   3.642% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  15.84 +/- 7.87   0.803% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   23  13.43 +/- 3.46   0.671% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  21.83 +/- 1.71   0.063% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  14.11 +/- 2.76   0.358% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.06 +/- 1.26   0.315% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.72 +/- 1.22   0.795% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  15.89 +/- 2.01   0.185% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  18.71 +/- 4.39   0.158% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  19.63 +/- 4.17   0.198% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  21.57 +/- 2.88   0.072% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.68 +/- 3.48   0.081% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.12 +/- 1.44   0.202% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.53 +/- 4.72   0.346% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  23.77 +/- 3.42   0.075% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.14 +/- 1.67   0.046% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.95 +/- 1.94   0.051% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.93 +/- 2.40   0.077% *  0.0107% (0.10   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 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 = 0.995, support = 5.26, residual support = 101.1:
    * O T HB2   LEU   40 - HA    LEU   40   2.53 +/- 0.27  73.201% * 93.6846% (1.00  10.0 10.00   5.29 101.88) =  99.176%  kept
          HB3   GLU-  14 - HA    GLU-  15   5.05 +/- 0.66  12.445% *  4.4074% (0.39   1.0  1.00   2.39   1.68) =   0.793%  kept
        T HB2   LEU   40 - HA    ASN   35   9.23 +/- 1.33   2.510% *  0.3513% (0.37   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   LEU   40 - HA    GLU-  15  14.12 +/- 3.89   0.732% *  0.7576% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LEU   67 - HA    LEU   40   9.78 +/- 2.04   1.931% *  0.1446% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU   67 - HA    GLU-  15  12.35 +/- 4.32   1.317% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HA    LEU   40  11.60 +/- 1.52   1.051% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.19 +/- 0.40   1.685% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   11 - HA    GLU-  15  12.64 +/- 2.59   1.245% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.12 +/- 3.23   0.747% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  15.31 +/- 2.05   0.421% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.12 +/- 3.66   0.323% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.87 +/- 5.31   0.292% *  0.0460% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  20.61 +/- 2.15   0.161% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  17.12 +/- 2.25   0.307% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  24.58 +/- 3.32   0.131% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  17.58 +/- 2.59   0.562% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.41 +/- 4.03   0.372% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  22.96 +/- 4.92   0.205% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  21.33 +/- 5.51   0.300% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.18 +/- 3.90   0.063% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.87, support = 5.48, residual support = 101.8:
    * O T HB3   LEU   40 - HA    LEU   40   2.85 +/- 0.22  42.859% * 70.6117% (1.00  10.0 10.00   5.51 101.88) =  79.169%  kept
      O T HG    LEU   40 - HA    LEU   40   3.34 +/- 0.50  29.973% * 26.5014% (0.38  10.0 10.00   5.38 101.88) =  20.780%  kept
        T HB3   LEU   40 - HA    GLU-  15  13.65 +/- 4.00   0.682% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   LEU   40 - HA    ASN   35   9.72 +/- 1.26   1.300% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU  115 - HA    LEU   40  16.94 +/- 2.84   0.490% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   LEU  115 - HA    LEU   40  15.31 +/- 3.04   1.056% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+  65 - HA    LEU   40  14.73 +/- 4.42   6.834% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    ASN   35  10.65 +/- 1.05   0.953% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HA    LEU   40  14.15 +/- 3.60   0.973% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    LEU   40  13.87 +/- 5.47   3.824% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LEU   40  10.80 +/- 1.87   1.145% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    GLU-  15  12.99 +/- 4.80   1.183% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    GLU-  15  10.23 +/- 2.58   1.946% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - HA    ASN   35  23.62 +/- 3.52   0.123% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LEU   40  14.19 +/- 2.19   0.752% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    GLU-  15  20.94 +/- 2.64   0.129% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU-  15  18.13 +/- 4.26   0.499% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    ASN   35  22.09 +/- 3.66   0.165% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  12.60 +/- 2.01   0.776% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  14.28 +/- 3.95   0.480% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  14.09 +/- 3.37   0.469% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  19.55 +/- 4.31   0.293% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  14.38 +/- 3.85   0.547% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  21.71 +/- 3.03   0.120% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.32 +/- 2.61   0.336% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.38 +/- 2.26   0.342% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.29 +/- 1.13   0.586% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  20.08 +/- 5.23   0.375% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  19.86 +/- 4.89   0.451% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  20.67 +/- 6.13   0.337% *  0.0046% (0.07   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.28, residual support = 101.7:
    * O T HA    LEU   40 - HB2   LEU   40   2.53 +/- 0.27  61.048% * 97.5267% (1.00  10.0 10.00   5.29 101.88) =  99.786%  kept
          HA    LYS+  99 - HB2   LEU   40   6.43 +/- 4.74  20.047% *  0.5427% (0.25   1.0  1.00   0.45   9.75) =   0.182%  kept
        T HA    ASN   35 - HB2   LEU   40   9.23 +/- 1.33   2.187% *  0.3660% (0.38   1.0 10.00   0.02   0.02) =   0.013%
        T HA    GLU-  15 - HB2   LEU   40  14.12 +/- 3.89   0.639% *  0.9226% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LEU   40 - HB2   LEU   67   9.78 +/- 2.04   1.654% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   LEU   67  12.35 +/- 4.32   1.127% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB2   LEU   40  10.04 +/- 1.20   1.890% *  0.0366% (0.38   1.0  1.00   0.02   0.70) =   0.001%
          HA    LEU  123 - HB2   LEU   40  15.03 +/- 5.44   0.959% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   40  14.36 +/- 4.44   0.852% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  17.69 +/- 2.63   0.286% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.06 +/- 3.99   0.273% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67  10.41 +/- 6.37   4.472% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  15.31 +/- 2.05   0.366% *  0.0337% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.57 +/- 1.14   0.159% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.48 +/- 3.06   0.163% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.81 +/- 1.57   0.617% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  17.05 +/- 2.98   0.437% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  15.20 +/- 4.57   0.639% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  13.13 +/- 4.31   0.893% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.17 +/- 2.74   0.577% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  15.68 +/- 2.56   0.379% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  16.71 +/- 2.83   0.337% *  0.0037% (0.04   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 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 = 0.923, support = 4.31, residual support = 101.3:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  53.689% * 69.9238% (1.00  10.0 10.00   4.25 101.88) =  88.411%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.68 +/- 0.29  16.610% * 26.2432% (0.38  10.0  1.00   4.72 101.88) =  10.266%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.62 +/- 0.29  17.803% *  3.1374% (0.04  10.0  1.00   5.13  60.34) =   1.315%  kept
        T HB3   LEU   40 - HB2   LEU   67   8.14 +/- 2.22   1.248% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - HB2   LEU   40  15.12 +/- 3.10   0.236% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU   40  13.11 +/- 5.71   3.834% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   7.82 +/- 2.23   1.921% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HB2   LEU   40  13.45 +/- 3.78   0.314% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.33 +/- 3.64   0.295% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   9.81 +/- 1.75   0.486% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  14.13 +/- 3.81   0.731% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.28 +/- 3.22   0.457% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  16.67 +/- 2.94   0.111% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  14.30 +/- 2.74   0.175% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67   9.72 +/- 2.40   0.846% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.59 +/- 1.97   0.144% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  13.74 +/- 3.18   0.180% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.31 +/- 0.91   0.568% *  0.0014% (0.02   1.0  1.00   0.02   0.41) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  14.25 +/- 4.09   0.222% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.63 +/- 1.50   0.128% *  0.0018% (0.03   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 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.51, residual support = 101.7:
    * O T HA    LEU   40 - HB3   LEU   40   2.85 +/- 0.22  62.127% * 97.4610% (1.00  10.0 10.00   5.51 101.88) =  99.845%  kept
          HA    LYS+  99 - HB3   LEU   40   6.83 +/- 4.15  13.201% *  0.5423% (0.25   1.0  1.00   0.45   9.75) =   0.118%  kept
        T HA    GLU-  15 - HB3   LEU   40  13.65 +/- 4.00   0.997% *  0.9219% (0.95   1.0 10.00   0.02   0.02) =   0.015%
        T HA    ASN   35 - HB3   LEU   40   9.72 +/- 1.26   2.092% *  0.3658% (0.38   1.0 10.00   0.02   0.02) =   0.013%
        T HA    LEU   40 - HB3   LEU  115  15.31 +/- 3.04   1.478% *  0.1143% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   37 - HB3   LEU   40  10.29 +/- 0.96   1.630% *  0.0366% (0.38   1.0  1.00   0.02   0.70) =   0.001%
          HA    LEU  123 - HB3   LEU   40  14.71 +/- 5.37   1.153% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   LEU   40  13.62 +/- 4.45   1.475% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU  115   9.72 +/- 1.80   4.607% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU   40  16.88 +/- 2.70   0.409% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LEU   40  17.75 +/- 3.78   0.352% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   LEU  115   8.08 +/- 2.28   6.614% *  0.0047% (0.05   1.0  1.00   0.02   0.15) =   0.001%
        T HA    GLU-  15 - HB3   LEU  115  20.94 +/- 2.64   0.184% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.90 +/- 1.54   0.247% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  22.09 +/- 3.66   0.235% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.81 +/- 3.17   0.236% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  10.84 +/- 1.38   1.417% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.03 +/- 1.04   0.554% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  17.83 +/- 3.36   0.357% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  25.04 +/- 4.29   0.140% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  16.83 +/- 1.72   0.345% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  23.42 +/- 3.03   0.151% *  0.0043% (0.04   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 101.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  94.287% * 99.4293% (1.00  10.0 10.00   4.25 101.88) =  99.995%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.14 +/- 2.22   2.195% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU   40 - HB3   LEU  115  15.12 +/- 3.10   0.426% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   96 - HB3   LEU   40  12.14 +/- 1.33   0.320% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.28 +/- 3.22   0.834% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.46 +/- 3.98   0.430% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.75 +/- 4.13   0.150% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  10.95 +/- 1.71   0.486% *  0.0093% (0.09   1.0  1.00   0.02   0.14) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.95 +/- 2.42   0.487% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.67 +/- 3.26   0.047% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.76 +/- 5.08   0.071% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.77 +/- 3.39   0.184% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  23.15 +/- 3.41   0.054% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  29.76 +/- 5.23   0.030% *  0.0036% (0.04   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 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 = 75.9:
    * O T HB    VAL   41 - HA    VAL   41   2.74 +/- 0.24  84.760% * 99.0830% (0.69  10.0 10.00   4.32  75.96) =  99.987%  kept
          HG12  ILE  103 - HA    VAL   41   9.40 +/- 2.05   2.791% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HA    VAL   41  11.27 +/- 2.67   2.506% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - HA    VAL   41  11.51 +/- 2.28   2.065% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HA    VAL   41  12.05 +/- 2.03   1.438% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  17.45 +/- 3.44   0.690% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    VAL   41  10.33 +/- 1.60   1.999% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    VAL   41  11.54 +/- 1.11   1.434% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    VAL   41  12.18 +/- 0.89   1.104% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  23.31 +/- 1.97   0.150% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  21.80 +/- 3.10   0.239% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  17.74 +/- 1.66   0.389% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  20.01 +/- 2.25   0.263% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  22.93 +/- 2.05   0.171% *  0.0360% (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 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.22, residual support = 75.2:
    * O T QG1   VAL   41 - HA    VAL   41   2.70 +/- 0.35  57.051% * 93.5169% (1.00  10.0 10.00   4.25  75.96) =  98.960%  kept
          QG1   VAL   43 - HA    VAL   41   5.68 +/- 1.23   9.909% *  5.3745% (0.95   1.0  1.00   1.22   1.42) =   0.988%  kept
        T QG2   VAL   18 - HA    VAL   41  10.36 +/- 2.81   1.660% *  0.7147% (0.76   1.0 10.00   0.02   0.02) =   0.022%
          QD2   LEU   73 - HA    VAL   41   6.57 +/- 2.28  15.924% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.012%
        T QD2   LEU  104 - HA    VAL   41   8.54 +/- 1.73   2.406% *  0.1851% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE   19 - HA    VAL   41   7.96 +/- 2.76   8.453% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   31 - HA    VAL   41   9.11 +/- 2.69   3.433% *  0.0567% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   41  13.15 +/- 1.28   0.584% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  14.19 +/- 2.02   0.580% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 75.8:
    * O T QG2   VAL   41 - HA    VAL   41   2.41 +/- 0.48  79.833% * 98.5639% (1.00  10.0 10.00   3.93  75.96) =  99.763%  kept
          QD2   LEU   98 - HA    VAL   41   5.68 +/- 2.34  14.245% *  1.2830% (0.95   1.0  1.00   0.28  25.77) =   0.232%  kept
          QD2   LEU   63 - HA    VAL   41   8.04 +/- 1.69   5.198% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   80 - HA    VAL   41  15.54 +/- 4.25   0.723% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.29 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 = 4.32, residual support = 76.0:
    * O T HA    VAL   41 - HB    VAL   41   2.74 +/- 0.24  96.975% * 99.8595% (0.69  10.0 10.00   4.32  75.96) =  99.998%  kept
          HA    HIS  122 - HB    VAL   41  15.09 +/- 5.01   1.967% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB    VAL   41  12.69 +/- 1.20   1.058% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 4.26, residual support = 75.4:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  69.037% * 92.6323% (0.69  10.0 10.00   4.28  75.96) =  99.313%  kept
          QG1   VAL   43 - HB    VAL   41   5.30 +/- 1.39   6.755% *  6.2696% (0.65   1.0  1.00   1.43   1.42) =   0.658%  kept
          HG    LEU   31 - HB    VAL   41   8.02 +/- 3.04  12.575% *  0.0562% (0.42   1.0  1.00   0.02   0.02) =   0.011%
        T QG2   VAL   18 - HB    VAL   41  11.32 +/- 2.45   0.609% *  0.7079% (0.52   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU  104 - HB    VAL   41   7.96 +/- 1.59   2.178% *  0.1833% (0.14   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   73 - HB    VAL   41   7.08 +/- 2.47   5.067% *  0.0415% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB    VAL   41   8.78 +/- 2.56   3.174% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  13.35 +/- 1.67   0.329% *  0.0599% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  14.69 +/- 2.24   0.276% *  0.0206% (0.15   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 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.17, residual support = 73.8:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  66.456% * 91.1893% (0.69  10.0 10.00   4.26  75.96) =  95.704%  kept
          QD2   LEU   98 - HB    VAL   41   4.64 +/- 2.61  31.360% *  8.6692% (0.65   1.0  1.00   2.01  25.77) =   4.293%  kept
          QD2   LEU   63 - HB    VAL   41   9.21 +/- 1.97   1.717% *  0.0553% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB    VAL   41  15.24 +/- 5.19   0.467% *  0.0863% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 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 = 3.93, residual support = 76.0:
    * O T HA    VAL   41 - QG2   VAL   41   2.41 +/- 0.48  96.329% * 99.8595% (1.00  10.0 10.00   3.93  75.96) =  99.997%  kept
          HA    HIS  122 - QG2   VAL   41  13.14 +/- 4.05   2.011% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG2   VAL   41  10.79 +/- 0.93   1.660% *  0.0606% (0.61   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 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.26, residual support = 75.9:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  84.404% * 99.0830% (0.69  10.0 10.00   4.26  75.96) =  99.985%  kept
          HG12  ILE  103 - QG2   VAL   41   7.16 +/- 2.18   4.930% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  103 - QG2   VAL   41   8.76 +/- 2.26   1.966% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG2   VAL   41  11.08 +/- 2.51   1.680% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QG2   VAL   41   7.98 +/- 2.00   2.279% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG2   VAL   41  16.12 +/- 3.11   0.635% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   VAL   41   9.98 +/- 1.26   1.428% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  12.10 +/- 1.92   0.793% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   VAL   41   9.99 +/- 1.18   0.991% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  20.13 +/- 1.74   0.108% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.23 +/- 2.62   0.169% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.40 +/- 1.14   0.235% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  16.20 +/- 2.55   0.244% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  18.81 +/- 2.12   0.139% *  0.0360% (0.25   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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.88, residual support = 74.3:
    * O T QG1   VAL   41 - QG2   VAL   41   2.04 +/- 0.06  52.693% * 88.7319% (1.00  10.0 10.00   3.94  75.96) =  97.758%  kept
          QG1   VAL   43 - QG2   VAL   41   4.39 +/- 1.34  10.220% *  7.8241% (0.95   1.0  1.00   1.86   1.42) =   1.672%  kept
          HG    LEU   31 - QG2   VAL   41   6.35 +/- 2.78  10.233% *  2.0108% (0.61   1.0  1.00   0.75   0.02) =   0.430%  kept
          QD2   LEU   73 - QG2   VAL   41   5.64 +/- 2.29  10.779% *  0.4750% (0.45   1.0  1.00   0.24   0.02) =   0.107%  kept
        T QD2   LEU  104 - QG2   VAL   41   6.93 +/- 1.67   3.947% *  0.1756% (0.20   1.0 10.00   0.02   0.02) =   0.014%
        T QG2   VAL   18 - QG2   VAL   41   9.36 +/- 2.46   0.798% *  0.6781% (0.76   1.0 10.00   0.02   0.02) =   0.011%
          QD1   ILE   19 - QG2   VAL   41   6.96 +/- 2.95  10.725% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - QG2   VAL   41  11.33 +/- 1.12   0.354% *  0.0574% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.80 +/- 1.72   0.251% *  0.0198% (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 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 = 4.48, residual support = 88.4:
    * O T HB    VAL   42 - HA    VAL   42   2.71 +/- 0.23  62.278% * 87.5385% (0.87  10.0 10.00   4.54  90.28) =  97.910%  kept
          QB    LEU   98 - HA    VAL   42   5.36 +/- 1.79  14.073% *  6.8322% (0.76   1.0  1.00   1.77   0.41) =   1.727%  kept
        T HB2   LYS+ 112 - HA    PHE   55   8.56 +/- 3.92   5.397% *  2.0260% (0.16   1.0 10.00   0.25   0.82) =   0.196%  kept
          HB3   LEU   73 - HA    VAL   42   9.13 +/- 2.82   4.161% *  2.0024% (0.80   1.0  1.00   0.50   0.19) =   0.150%  kept
        T HB2   LYS+ 112 - HA    VAL   42  16.08 +/- 2.27   0.367% *  0.6932% (0.69   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HA    VAL   42   8.68 +/- 1.85   2.920% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    VAL   42  13.23 +/- 2.96   1.436% *  0.0875% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    VAL   42  10.70 +/- 1.63   1.631% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    VAL   42  13.47 +/- 1.43   0.609% *  0.0932% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    VAL   42  13.34 +/- 4.31   1.249% *  0.0452% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  18.19 +/- 2.08   0.265% *  0.2060% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  13.32 +/- 2.35   0.658% *  0.0771% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  18.75 +/- 2.79   0.270% *  0.0974% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.83 +/- 4.09   1.845% *  0.0116% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  15.94 +/- 3.98   0.609% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  26.01 +/- 7.16   0.541% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.71 +/- 2.64   0.339% *  0.0206% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.41 +/- 4.05   0.323% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.80 +/- 4.10   0.393% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.37 +/- 1.63   0.140% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.22 +/- 1.86   0.212% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.74 +/- 1.99   0.158% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.29 +/- 3.80   0.077% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.89 +/- 1.95   0.049% *  0.0182% (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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 90.3:
    * O T QG1   VAL   42 - HA    VAL   42   2.59 +/- 0.31  84.290% * 98.1799% (0.97  10.0 10.00   4.00  90.28) =  99.971%  kept
        T QB    ALA   64 - HA    VAL   42   7.31 +/- 1.18   5.389% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.013%
        T QB    ALA   47 - HA    VAL   42  14.25 +/- 1.11   0.574% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QB    ALA   47 - HA    PHE   55  10.32 +/- 1.41   1.630% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   42 - HA    PHE   55  13.80 +/- 1.48   0.711% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HA    PHE   55   9.06 +/- 3.69   5.811% *  0.0164% (0.16   1.0  1.00   0.02   0.82) =   0.001%
        T QB    ALA   64 - HA    PHE   55  13.72 +/- 2.19   1.049% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    VAL   42  15.91 +/- 2.61   0.546% *  0.0699% (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 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 90.1:
    * O T QG2   VAL   42 - HA    VAL   42   2.61 +/- 0.53  92.242% * 96.8205% (0.80  10.0 10.00   4.00  90.28) =  99.786%  kept
          QG2   VAL   75 - HA    VAL   42   7.29 +/- 1.91   6.464% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.212%  kept
        T QG2   VAL   42 - HA    PHE   55  15.03 +/- 1.55   0.719% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HA    PHE   55  15.93 +/- 1.67   0.574% *  0.0184% (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 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.54, residual support = 90.2:
    * O T HA    VAL   42 - HB    VAL   42   2.71 +/- 0.23  80.510% * 97.9628% (0.87  10.0 10.00   4.54  90.28) =  99.954%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.56 +/- 3.92   6.946% *  0.3914% (0.35   1.0 10.00   0.02   0.82) =   0.034%
        T HA    VAL   42 - HB2   LYS+ 112  16.08 +/- 2.27   0.471% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    PHE   55 - HB    VAL   42  18.19 +/- 2.08   0.344% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - HB2   LYS+ 112  12.22 +/- 3.20   3.225% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   7.91 +/- 1.27   4.530% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    VAL   42  13.51 +/- 3.88   1.244% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.43 +/- 0.80   0.732% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.90 +/- 0.81   0.541% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  21.84 +/- 3.97   0.322% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.44 +/- 2.57   0.443% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  18.15 +/- 2.97   0.395% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  20.10 +/- 1.96   0.223% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  28.99 +/- 3.06   0.075% *  0.0419% (0.37   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 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 = 0.748, support = 5.01, residual support = 121.9:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  60.935% * 65.1690% (0.84  10.0 10.00   4.54  90.28) =  78.534%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.67 +/- 0.28  33.132% * 32.7352% (0.42  10.0 10.00   6.74 237.75) =  21.449%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.65 +/- 2.73   0.660% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   42 - HB2   LYS+ 112  11.40 +/- 2.07   0.553% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.005%
        T QB    ALA   47 - HB    VAL   42  14.68 +/- 1.23   0.206% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB    VAL   42  15.21 +/- 2.84   0.231% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB    VAL   42   6.21 +/- 1.39   3.929% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HB2   LYS+ 112  13.56 +/- 2.35   0.356% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.4, residual support = 90.3:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  96.267% * 99.1635% (0.69  10.0 10.00   4.40  90.28) =  99.993%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  12.64 +/- 2.05   0.585% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   75 - HB    VAL   42   8.20 +/- 1.87   2.722% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HB2   LYS+ 112  15.13 +/- 2.70   0.426% *  0.0565% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.5, residual support = 89.1:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  69.021% * 89.2198% (0.84  10.0 10.00   4.54  90.28) =  98.724%  kept
          HB3   LEU   73 - QG1   VAL   42   7.52 +/- 2.49  13.524% *  5.1111% (0.77   1.0  1.00   1.24   0.19) =   1.108%  kept
          QB    LEU   98 - QG1   VAL   42   6.41 +/- 1.36   3.548% *  2.4213% (0.74   1.0  1.00   0.62   0.41) =   0.138%  kept
        T HB2   LYS+ 112 - QB    ALA   47  11.65 +/- 2.73   0.769% *  0.6101% (0.57   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LYS+ 112 - QG1   VAL   42  11.40 +/- 2.07   0.637% *  0.7065% (0.66   1.0 10.00   0.02   0.02) =   0.007%
          HG3   LYS+  65 - QG1   VAL   42   9.68 +/- 2.24   2.104% *  0.0892% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   42 - QB    ALA   47  14.68 +/- 1.23   0.233% *  0.7705% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QG1   VAL   42   8.24 +/- 1.68   2.192% *  0.0501% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG1   VAL   42   7.98 +/- 1.64   1.867% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG1   VAL   42  10.12 +/- 3.12   1.408% *  0.0461% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    ALA   47  13.00 +/- 1.89   0.520% *  0.0711% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  12.37 +/- 1.14   0.383% *  0.0949% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  13.05 +/- 1.90   0.358% *  0.0786% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.71 +/- 2.57   0.260% *  0.0993% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  11.88 +/- 1.65   0.562% *  0.0432% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  15.06 +/- 2.80   0.295% *  0.0770% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  11.33 +/- 2.20   0.790% *  0.0274% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  14.99 +/- 2.36   0.413% *  0.0503% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.36 +/- 1.80   0.290% *  0.0679% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  13.61 +/- 3.18   0.425% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  21.51 +/- 3.87   0.145% *  0.0857% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.18 +/- 2.68   0.094% *  0.0679% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.22 +/- 2.13   0.068% *  0.0820% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.40 +/- 1.05   0.094% *  0.0398% (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 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 = 90.1:
    * O T QG2   VAL   42 - QG1   VAL   42   2.07 +/- 0.04  91.493% * 96.1881% (0.77  10.0 10.00   4.00  90.28) =  99.770%  kept
          QG2   VAL   75 - QG1   VAL   42   6.15 +/- 1.56   6.788% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.224%  kept
        T QG2   VAL   42 - QB    ALA   47  12.14 +/- 1.24   0.516% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   75 - QB    ALA   47   9.21 +/- 1.02   1.204% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 90.3:
    * O T HA    VAL   42 - QG2   VAL   42   2.61 +/- 0.53  90.819% * 99.2010% (0.80  10.0 10.00   4.00  90.28) =  99.991%  kept
        T HA    PHE   55 - QG2   VAL   42  15.03 +/- 1.55   0.709% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG2   VAL   42  11.57 +/- 3.60   3.733% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG2   VAL   42  11.06 +/- 1.03   1.996% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.70 +/- 1.09   1.116% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG2   VAL   42  13.39 +/- 2.23   1.067% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  16.54 +/- 1.88   0.561% *  0.0372% (0.30   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.38, residual support = 89.9:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  68.196% * 94.4480% (0.69  10.0 10.00   4.40  90.28) =  99.559%  kept
          QB    LEU   98 - QG2   VAL   42   5.91 +/- 1.92   7.886% *  2.5632% (0.61   1.0  1.00   0.62   0.41) =   0.312%  kept
          HB3   LEU   73 - QG2   VAL   42   8.27 +/- 2.69   4.169% *  1.6606% (0.64   1.0  1.00   0.38   0.19) =   0.107%  kept
          HB3   LYS+  74 - QG2   VAL   42   8.78 +/- 2.47  11.528% *  0.0530% (0.39   1.0  1.00   0.02   0.02) =   0.009%
        T HB2   LYS+ 112 - QG2   VAL   42  12.64 +/- 2.05   0.405% *  0.7479% (0.55   1.0 10.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QG2   VAL   42  10.07 +/- 3.41   3.197% *  0.0488% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG2   VAL   42   8.43 +/- 2.31   2.016% *  0.0616% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG2   VAL   42   9.76 +/- 1.89   1.143% *  0.0944% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QG2   VAL   42  11.55 +/- 1.30   0.461% *  0.1005% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  12.43 +/- 2.45   0.431% *  0.0832% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  15.24 +/- 2.63   0.259% *  0.1051% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.46 +/- 2.77   0.307% *  0.0336% (0.25   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 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 4.0, residual support = 90.2:
    * O T QG1   VAL   42 - QG2   VAL   42   2.07 +/- 0.04  87.225% * 98.5374% (0.77  10.0 10.00   4.00  90.28) =  99.943%  kept
          QB    ALA   64 - QG2   VAL   42   5.23 +/- 1.40  11.777% *  0.3737% (0.16   1.0  1.00   0.37   0.02) =   0.051%
        T QB    ALA   47 - QG2   VAL   42  12.14 +/- 1.24   0.491% *  1.0188% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - QG2   VAL   42  12.60 +/- 2.18   0.507% *  0.0701% (0.55   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 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 = 61.3:
    * O T HB    VAL   43 - HA    VAL   43   2.86 +/- 0.22  97.113% * 99.7401% (0.97  10.0 10.00   3.30  61.29) =  99.997%  kept
          HB2   LYS+  99 - HA    VAL   43  12.37 +/- 1.33   1.418% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HA    VAL   43  16.58 +/- 2.12   0.601% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    VAL   43  15.21 +/- 3.36   0.869% *  0.0544% (0.53   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 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.893, support = 4.49, residual support = 60.8:
    * O T QG1   VAL   43 - HA    VAL   43   2.70 +/- 0.25  67.268% * 95.4174% (0.90  10.0 10.00   4.52  61.29) =  99.037%  kept
          QD2   LEU   73 - HA    VAL   43   5.98 +/- 1.95  14.565% *  4.1982% (0.53   1.0  1.00   1.50   6.06) =   0.943%  kept
          QG1   VAL   41 - HA    VAL   43   7.04 +/- 0.95   6.193% *  0.1055% (0.99   1.0  1.00   0.02   1.42) =   0.010%
          QG2   VAL   18 - HA    VAL   43  10.09 +/- 4.04   2.885% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    VAL   43   8.31 +/- 1.00   2.818% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HA    VAL   43  10.57 +/- 2.66   1.572% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HA    VAL   43  10.04 +/- 2.37   2.181% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  11.57 +/- 1.78   1.128% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    VAL   43  10.87 +/- 1.49   1.391% *  0.0164% (0.15   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 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.686, support = 3.0, residual support = 61.2:
    * O T QG2   VAL   43 - HA    VAL   43   2.28 +/- 0.34  89.761% * 98.9143% (0.69  10.0 10.00   3.00  61.29) =  99.922%  kept
        T QD2   LEU   31 - HA    VAL   43   7.93 +/- 2.29   6.443% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.076%
          QG2   VAL   83 - HA    VAL   43   9.79 +/- 3.09   3.796% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 5.50 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 = 61.3:
    * O T HA    VAL   43 - HB    VAL   43   2.86 +/- 0.22  94.954% * 99.8083% (0.97  10.0 10.00   3.30  61.29) =  99.997%  kept
          HA    HIS   22 - HB    VAL   43  13.99 +/- 3.21   1.744% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB    VAL   43  14.94 +/- 2.09   1.004% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  11.32 +/- 1.98   2.298% *  0.0222% (0.21   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 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 = 3.88, residual support = 61.1:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.01  88.466% * 90.4901% (0.87  10.0 10.00   3.89  61.29) =  99.764%  kept
        T QG1   VAL   41 - HB    VAL   43   7.78 +/- 0.80   2.113% *  8.4284% (0.96   1.0 10.00   0.17   1.42) =   0.222%  kept
        T QG2   VAL   18 - HB    VAL   43  11.97 +/- 3.71   0.847% *  0.6931% (0.66   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - HB    VAL   43   7.54 +/- 2.11   3.596% *  0.0531% (0.51   1.0  1.00   0.02   6.06) =   0.002%
        T QD2   LEU  104 - HB    VAL   43  10.33 +/- 1.64   1.096% *  0.1557% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   43   8.77 +/- 1.03   1.450% *  0.0571% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   43  11.16 +/- 3.19   1.110% *  0.0693% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    VAL   43  11.73 +/- 2.28   0.725% *  0.0252% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.17 +/- 1.88   0.597% *  0.0281% (0.27   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 61.3:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  91.703% * 98.9143% (0.66  10.0 10.00   2.87  61.29) =  99.961%  kept
        T QD2   LEU   31 - HB    VAL   43   8.51 +/- 2.97   3.164% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.036%
          QG2   VAL   83 - HB    VAL   43   8.94 +/- 3.45   5.133% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.01 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 = 4.52, residual support = 61.3:
    * O T HA    VAL   43 - QG1   VAL   43   2.70 +/- 0.25  90.871% * 99.8083% (0.90  10.0 10.00   4.52  61.29) =  99.994%  kept
          HA    HIS   22 - QG1   VAL   43  11.66 +/- 3.08   2.747% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  12.16 +/- 1.73   2.371% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   71 - QG1   VAL   43   9.07 +/- 1.86   4.011% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 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 = 3.89, residual support = 61.3:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.01  97.912% * 99.7401% (0.87  10.0 10.00   3.89  61.29) =  99.998%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.60 +/- 1.10   1.191% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   43  13.91 +/- 2.33   0.502% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  14.47 +/- 2.80   0.395% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 4.01, residual support = 61.2:
    * O T QG2   VAL   43 - QG1   VAL   43   2.03 +/- 0.06  82.135% * 98.9143% (0.62  10.0 10.00   4.01  61.29) =  99.857%  kept
        T QD2   LEU   31 - QG1   VAL   43   6.34 +/- 3.00  10.857% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.140%  kept
          QG2   VAL   83 - QG1   VAL   43   7.68 +/- 3.11   7.008% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 61.3:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  91.998% * 99.3815% (0.66  10.0 10.00   2.87  61.29) =  99.987%  kept
        T HB    VAL   43 - QD2   LEU   31   8.51 +/- 2.97   3.179% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.010%
          HB2   LYS+  99 - QG2   VAL   43  10.58 +/- 1.45   0.957% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  12.93 +/- 2.10   0.521% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  11.03 +/- 2.74   1.433% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  14.10 +/- 2.89   0.425% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  11.88 +/- 1.96   1.153% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  16.39 +/- 3.89   0.334% *  0.0293% (0.20   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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.536, support = 4.3, residual support = 88.6:
    * O T QG1   VAL   43 - QG2   VAL   43   2.03 +/- 0.06  34.424% * 78.8276% (0.62  10.0 10.00   4.01  61.29) =  83.233%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  30.546% * 17.3231% (0.14  10.0 10.00   5.88 231.47) =  16.231%  kept
          QD2   LEU   73 - QG2   VAL   43   5.71 +/- 2.16   6.280% *  1.7341% (0.36   1.0  1.00   0.75   6.06) =   0.334%  kept
          QG1   VAL   41 - QD2   LEU   31   5.09 +/- 2.22   4.724% *  0.8934% (0.20   1.0  1.00   0.71   0.02) =   0.129%  kept
        T QG1   VAL   43 - QD2   LEU   31   6.34 +/- 3.00   4.553% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.032%
          QD2   LEU   73 - QD2   LEU   31   4.69 +/- 2.31   6.651% *  0.0859% (0.10   1.0  1.00   0.13   1.44) =   0.018%
        T HG    LEU   31 - QG2   VAL   43   8.75 +/- 2.68   0.747% *  0.6038% (0.47   1.0 10.00   0.02   0.02) =   0.014%
          QG1   VAL   41 - QG2   VAL   43   6.31 +/- 0.78   1.338% *  0.0871% (0.68   1.0  1.00   0.02   1.42) =   0.004%
          QG2   VAL   18 - QD2   LEU   31   9.14 +/- 1.74   4.495% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG2   VAL   43   7.25 +/- 0.94   0.940% *  0.0498% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - QG2   VAL   43   9.65 +/- 3.35   0.708% *  0.0604% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG2   VAL   43   9.26 +/- 2.14   0.589% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.53 +/- 1.21   1.792% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.13 +/- 1.54   0.611% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.35 +/- 1.91   0.527% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.81 +/- 1.52   0.298% *  0.0244% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.10 +/- 2.52   0.643% *  0.0039% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.14 +/- 2.30   0.137% *  0.0070% (0.05   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 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 = 2.65, residual support = 39.6:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.74 +/- 0.28  90.932% * 97.1917% (1.00  10.0 10.00   2.65  39.59) =  99.984%  kept
        T QG    GLU-  15 - HA    ASP-  44  17.94 +/- 2.06   0.413% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  14 - HA    ASP-  44  18.10 +/- 2.17   0.389% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PHE   72 - HA    ASP-  44   9.41 +/- 1.98   3.055% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HA    ASP-  44  10.84 +/- 1.52   1.990% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASP-  44  23.98 +/- 3.59   0.193% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ASP-  44  13.78 +/- 1.67   0.836% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  11.19 +/- 1.61   1.891% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.97 +/- 1.52   0.301% *  0.0270% (0.28   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 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 39.6:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.66 +/- 0.29  73.003% * 98.4998% (1.00  10.0 10.00   4.15  39.59) =  99.958%  kept
        T QB    ALA   84 - HA    ASP-  44  11.30 +/- 1.28   1.357% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.015%
          HB2   LEU   63 - HA    ASP-  44   7.62 +/- 2.95   8.079% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.011%
          HB3   PRO   93 - HA    ASP-  44   6.49 +/- 1.22   9.692% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.010%
          HG    LEU   98 - HA    ASP-  44  11.26 +/- 2.07   1.355% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ASP-  44  13.59 +/- 3.42   1.197% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    ASP-  44  10.29 +/- 2.20   2.191% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  14.29 +/- 1.82   0.631% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    ASP-  44  15.70 +/- 2.20   0.451% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.64 +/- 1.67   0.240% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  12.58 +/- 2.23   1.272% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.49 +/- 1.25   0.345% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.12 +/- 0.70   0.189% *  0.0336% (0.34   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 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.65, residual support = 39.6:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.74 +/- 0.28  88.462% * 98.1053% (1.00  10.0 10.00   2.65  39.59) =  99.990%  kept
          HB    THR   77 - HB2   ASP-  44   9.93 +/- 1.18   2.124% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HA    MET   11 - HB2   ASP-  44  25.50 +/- 4.47   0.195% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  14 - HB2   ASP-  44  19.32 +/- 1.68   0.294% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44   8.91 +/- 2.46   4.833% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  13.86 +/- 1.51   0.885% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.53 +/- 1.09   0.861% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  17.69 +/- 1.30   0.364% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  14.81 +/- 1.76   0.786% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.69 +/- 1.34   0.569% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  18.45 +/- 2.02   0.339% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.05 +/- 3.34   0.289% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 39.6:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  87.634% * 99.2040% (1.00  10.0 10.00   2.73  39.59) =  99.988%  kept
          HB2   LEU   63 - HB2   ASP-  44   6.03 +/- 2.73   7.333% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HB2   ASP-  44   7.30 +/- 1.59   2.733% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB2   ASP-  44  12.45 +/- 2.16   0.328% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  14.03 +/- 3.05   0.263% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  12.01 +/- 0.90   0.291% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.79 +/- 2.08   0.151% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.41 +/- 2.10   0.161% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.04 +/- 1.64   0.087% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  12.71 +/- 2.86   0.504% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.52 +/- 2.37   0.344% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  17.16 +/- 1.91   0.106% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.96 +/- 1.61   0.064% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 39.6:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.66 +/- 0.29  86.900% * 99.3093% (1.00  10.0 10.00   4.15  39.59) =  99.992%  kept
          HB    THR   77 - HB3   ASP-  44   9.75 +/- 1.65   3.442% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   57 - HB3   ASP-  44   9.11 +/- 2.59   5.461% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  13.86 +/- 1.45   0.722% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB3   ASP-  44  13.55 +/- 1.70   0.932% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  17.49 +/- 1.60   0.386% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.76 +/- 2.12   0.799% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.03 +/- 0.92   0.457% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  18.32 +/- 2.10   0.344% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  25.87 +/- 4.22   0.137% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  19.69 +/- 2.05   0.253% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.40 +/- 3.12   0.168% *  0.0483% (0.49   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 39.6:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  97.193% * 99.4398% (1.00  10.0 10.00   2.73  39.59) =  99.998%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.86 +/- 1.79   1.096% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  10.41 +/- 2.10   0.666% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  14.60 +/- 1.81   0.202% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.04 +/- 2.55   0.139% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  17.03 +/- 2.39   0.127% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.11 +/- 1.91   0.428% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  22.94 +/- 3.52   0.059% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.80 +/- 2.06   0.090% *  0.0276% (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 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   2.85 +/- 0.24  96.104% * 99.8680% (1.00  10.0 10.00   3.31  80.02) =  99.998%  kept
          QE    LYS+ 111 - HA    PHE   45  14.47 +/- 2.61   1.132% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HA    PHE   45  12.39 +/- 4.51   2.763% *  0.0375% (0.38   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 = 3.99, residual support = 80.0:
    * O T HB3   PHE   45 - HA    PHE   45   2.75 +/- 0.27  90.212% * 99.6736% (1.00  10.0 10.00   3.99  80.02) =  99.992%  kept
          QE    LYS+ 112 - HA    PHE   45  12.21 +/- 3.75   4.978% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL  107 - HA    PHE   45  10.99 +/- 0.72   1.584% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    PHE   45  12.97 +/- 2.09   1.285% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  13.45 +/- 2.44   1.351% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  20.29 +/- 2.76   0.282% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.57 +/- 2.23   0.307% *  0.0222% (0.22   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 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   2.85 +/- 0.24  98.658% * 99.9145% (1.00  10.0 10.00   3.31  80.02) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.80 +/- 0.82   1.014% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  19.95 +/- 2.01   0.328% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  97.441% * 99.6736% (1.00  10.0 10.00   3.31  80.02) =  99.998%  kept
          QE    LYS+ 112 - HB2   PHE   45  11.52 +/- 3.64   1.197% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   9.85 +/- 1.03   0.628% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  12.71 +/- 2.18   0.341% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  14.58 +/- 2.37   0.266% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  21.91 +/- 2.62   0.060% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  20.74 +/- 2.20   0.067% *  0.0222% (0.22   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 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 80.0:
    * O T HA    PHE   45 - HB3   PHE   45   2.75 +/- 0.27  98.726% * 99.9145% (1.00  10.0 10.00   3.99  80.02) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.68 +/- 0.60   0.888% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  19.97 +/- 2.58   0.386% *  0.0249% (0.25   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 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  99.113% * 99.8680% (1.00  10.0 10.00   3.31  80.02) =  99.999%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.29 +/- 2.86   0.576% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB3   PHE   45  14.22 +/- 4.09   0.310% *  0.0375% (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 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 = 2.96, residual support = 34.3:
    * O T HB    THR   46 - HA    THR   46   2.54 +/- 0.16  94.876% * 98.0423% (1.00  10.0 10.00   2.96  34.33) =  99.994%  kept
          HA    LYS+ 112 - HA    THR   46  11.18 +/- 2.71   3.361% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HB    THR   46 - HA    SER   13  24.48 +/- 4.00   0.292% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HB    THR   46 - HA    SER   37  25.74 +/- 1.64   0.100% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    SER   37  19.02 +/- 5.60   0.485% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.63 +/- 4.71   0.447% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.06 +/- 1.72   0.246% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  27.52 +/- 2.82   0.095% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  28.29 +/- 4.90   0.097% *  0.0384% (0.39   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 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.3:
    * O T QG2   THR   46 - HA    THR   46   3.02 +/- 0.32  67.169% * 97.3989% (1.00  10.0 10.00   3.00  34.33) =  99.963%  kept
          QG2   VAL   18 - HA    THR   46  13.19 +/- 4.79   4.994% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          QD1   ILE   19 - HA    SER   13   8.65 +/- 1.83   9.074% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   41 - HA    SER   37   8.40 +/- 0.81   3.523% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HA    THR   46   9.56 +/- 1.05   2.485% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    SER   37  10.35 +/- 2.49   2.415% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   37  21.61 +/- 1.84   0.194% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  20.45 +/- 3.52   0.298% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    SER   37  14.80 +/- 2.09   0.978% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    SER   13  11.43 +/- 1.40   1.400% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   37  13.20 +/- 2.26   1.117% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  15.74 +/- 2.75   0.725% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  14.58 +/- 1.03   0.675% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  14.93 +/- 1.29   0.640% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  14.71 +/- 2.81   0.762% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.31 +/- 1.20   0.397% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.02 +/- 2.43   0.380% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.39 +/- 3.68   0.329% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.11 +/- 0.73   0.883% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  16.87 +/- 4.34   1.181% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.51 +/- 3.04   0.382% *  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 = 2.96, residual support = 34.3:
    * O T HA    THR   46 - HB    THR   46   2.54 +/- 0.16  95.699% * 98.0777% (1.00  10.0 10.00   2.96  34.33) =  99.994%  kept
        T HA    SER   13 - HB    THR   46  24.48 +/- 4.00   0.295% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HB    THR   46  10.93 +/- 2.99   2.131% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   37 - HB    THR   46  25.74 +/- 1.64   0.101% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    THR   46  18.15 +/- 4.98   0.498% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.94 +/- 0.59   0.783% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  21.17 +/- 3.62   0.244% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.89 +/- 0.79   0.249% *  0.0440% (0.45   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 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 = 34.3:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  95.501% * 99.5878% (1.00  10.0 10.00   3.00  34.33) =  99.996%  kept
          QG2   VAL   18 - HB    THR   46  11.89 +/- 5.07   1.886% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    THR   46   9.59 +/- 0.91   1.260% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    THR   46  14.59 +/- 3.14   0.457% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.55 +/- 1.58   0.368% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  17.49 +/- 1.39   0.192% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.74 +/- 3.05   0.337% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.3:
    * O T HA    THR   46 - QG2   THR   46   3.02 +/- 0.32  89.878% * 98.0777% (1.00  10.0 10.00   3.00  34.33) =  99.988%  kept
          HA    PRO   58 - QG2   THR   46   9.77 +/- 2.58   5.002% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.003%
        T HA    SER   13 - QG2   THR   46  20.45 +/- 3.52   0.403% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   37 - QG2   THR   46  21.61 +/- 1.84   0.261% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG2   THR   46  15.33 +/- 3.73   1.277% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG2   THR   46  11.13 +/- 1.08   1.913% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QG2   THR   46  17.78 +/- 2.88   0.626% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.03 +/- 1.31   0.639% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.3:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  98.095% * 99.8459% (1.00  10.0 10.00   3.00  34.33) =  99.999%  kept
          HA    LYS+ 112 - QG2   THR   46  11.04 +/- 2.44   1.627% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  16.13 +/- 2.24   0.278% *  0.0895% (0.90   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 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 = 10.9:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  98.182% * 99.0048% (0.95  10.0 10.00   2.00  10.86) =  99.995%  kept
        T QG1   VAL   42 - HA    ALA   47  12.69 +/- 0.83   0.493% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HA    ALA   47  14.79 +/- 4.02   0.765% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  12.97 +/- 1.83   0.559% *  0.0323% (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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.928, support = 2.02, residual support = 10.8:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  59.067% * 89.8146% (0.95  10.0 10.00   2.00  10.86) =  96.670%  kept
          HA    CYS   50 - QB    ALA   47   3.35 +/- 1.30  29.242% *  5.3653% (0.42   1.0  1.00   2.66   6.91) =   2.859%  kept
          HA    TRP   49 - QB    ALA   47   4.61 +/- 0.36   6.617% *  3.8370% (0.26   1.0  1.00   3.07  15.94) =   0.463%  kept
        T HA    ALA   47 - QG1   VAL   42  12.69 +/- 0.83   0.303% *  0.6879% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  108 - QB    ALA   47  10.36 +/- 1.79   1.067% *  0.0880% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  108 - QG1   VAL   42   9.15 +/- 1.50   1.186% *  0.0674% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  10.85 +/- 2.04   0.675% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.09 +/- 1.59   0.431% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.40 +/- 1.45   0.289% *  0.0308% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.28 +/- 1.93   0.590% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.89 +/- 2.35   0.270% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  16.15 +/- 3.38   0.264% *  0.0139% (0.15   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 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 = 1.69, residual support = 9.17:
    * O T QB    SER   48 - HA    SER   48   2.25 +/- 0.08  76.247% * 96.0221% (1.00  10.0 10.00   1.69   9.17) =  99.959%  kept
        T QB    SER   85 - HB2   SER   82   5.48 +/- 0.42   5.729% *  0.2561% (0.27   1.0 10.00   0.02   2.87) =   0.020%
        T QB    SER   48 - HB2   SER   82  13.27 +/- 3.89   1.090% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.006%
        T QB    SER   85 - HA    SER   48  13.22 +/- 2.96   0.679% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T QB    SER  117 - HA    SER   48  20.49 +/- 2.66   0.216% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HA    SER   48   9.20 +/- 1.13   1.512% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER  117 - HA    VAL   70  15.72 +/- 3.79   0.497% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  25.87 +/- 5.43   0.110% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.13 +/- 1.12   0.540% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    VAL   70   9.39 +/- 2.17   3.702% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  20.97 +/- 2.38   0.125% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.54 +/- 4.11   1.202% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.91 +/- 5.00   1.686% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.89 +/- 4.54   0.789% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  26.41 +/- 2.93   0.058% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  17.98 +/- 3.81   0.248% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.34 +/- 3.00   3.558% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  23.65 +/- 4.53   0.535% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  16.60 +/- 2.37   0.243% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  23.93 +/- 2.14   0.069% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.68 +/- 3.04   0.418% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  25.43 +/- 2.52   0.065% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.53 +/- 4.05   0.133% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  26.43 +/- 2.19   0.054% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.91 +/- 1.21   0.192% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  31.72 +/- 4.02   0.046% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  23.22 +/- 2.12   0.076% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.43 +/- 4.17   0.038% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  29.88 +/- 5.98   0.044% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.19 +/- 2.71   0.100% *  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 = 76.8:
    * O T HB2   TRP   49 - HA    TRP   49   2.56 +/- 0.17  81.069% * 50.9151% (1.00  10.0 10.00   4.21  85.70) =  89.008%  kept
        T HB2   TRP   49 - HA    CYS   50   5.30 +/- 0.41  10.601% * 47.9899% (0.94   1.0 10.00   3.28   4.73) =  10.971%  kept
        T HA2   GLY  109 - HA    CYS   50  14.16 +/- 3.91   1.487% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.012%
        T HA2   GLY  109 - HA    TRP   49  17.09 +/- 3.13   0.457% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   84 - HA    TRP   49  13.60 +/- 3.34   2.403% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - HA    CYS   50  13.78 +/- 2.86   0.961% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HA    CYS   50  18.35 +/- 1.52   0.233% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.87 +/- 2.55   1.538% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  19.76 +/- 2.06   0.211% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  21.97 +/- 2.48   0.165% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  23.33 +/- 3.17   0.156% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.57 +/- 2.03   0.720% *  0.0065% (0.13   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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.14, residual support = 79.3:
    * O T HB3   TRP   49 - HA    TRP   49   2.41 +/- 0.18  90.365% * 51.4295% (0.84  10.0 10.00   4.21  85.70) =  92.077%  kept
        T HB3   TRP   49 - HA    CYS   50   5.85 +/- 0.54   8.248% * 48.4748% (0.79   1.0 10.00   3.34   4.73) =   7.922%  kept
          HB3   PHE   59 - HA    CYS   50  12.28 +/- 1.49   0.781% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  16.11 +/- 2.24   0.606% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 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 = 0.994, support = 4.11, residual support = 76.8:
    * O T HA    TRP   49 - HB2   TRP   49   2.56 +/- 0.17  80.511% * 51.0809% (1.00  10.0 10.00   4.21  85.70) =  89.004%  kept
        T HA    CYS   50 - HB2   TRP   49   5.30 +/- 0.41  10.506% * 48.3205% (0.95   1.0 10.00   3.28   4.73) =  10.987%  kept
        T HA1   GLY  109 - HB2   TRP   49  16.59 +/- 2.72   0.445% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.005%
          HA    CYS   21 - HB2   TRP   49  21.98 +/- 5.67   3.198% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   47 - HB2   TRP   49   7.04 +/- 0.54   4.723% *  0.0142% (0.28   1.0  1.00   0.02  15.94) =   0.001%
          HA    VAL  108 - HB2   TRP   49  16.73 +/- 2.54   0.509% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  28.95 +/- 4.27   0.108% *  0.0330% (0.65   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 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 = 3.11, residual support = 85.7:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.850% * 99.9042% (0.84  10.0 10.00   3.11  85.70) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  16.27 +/- 1.82   0.150% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.832, support = 4.14, residual support = 79.3:
    * O T HA    TRP   49 - HB3   TRP   49   2.41 +/- 0.18  81.058% * 51.3085% (0.84  10.0 10.00   4.21  85.70) =  92.111%  kept
        T HA    CYS   50 - HB3   TRP   49   5.85 +/- 0.54   7.330% * 48.5358% (0.79   1.0 10.00   3.34   4.73) =   7.880%  kept
          HA    CYS   21 - HB3   TRP   49  21.92 +/- 5.85   6.588% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   47 - HB3   TRP   49   6.87 +/- 0.30   3.717% *  0.0143% (0.23   1.0  1.00   0.02  15.94) =   0.001%
          HA1   GLY  109 - HB3   TRP   49  17.01 +/- 3.08   0.522% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - HB3   TRP   49  17.02 +/- 2.91   0.688% *  0.0102% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  28.98 +/- 4.15   0.097% *  0.0332% (0.54   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.11, residual support = 85.7:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  97.581% * 99.6151% (0.84  10.0 10.00   3.11  85.70) =  99.998%  kept
          HA    ALA   84 - HB3   TRP   49  13.63 +/- 3.51   1.856% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - HB3   TRP   49  16.90 +/- 3.23   0.211% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  22.81 +/- 2.48   0.051% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  23.92 +/- 3.18   0.050% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.84 +/- 2.30   0.251% *  0.0135% (0.11   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 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   2.29 +/- 0.14  80.216% * 51.3514% (1.00  10.0 10.00   1.71   7.49) =  87.491%  kept
        T QB    CYS   50 - HA    TRP   49   4.43 +/- 0.29  12.164% * 48.4012% (0.94   1.0 10.00   3.05   4.73) =  12.505%  kept
          QE    LYS+  74 - HA    CYS   50  11.15 +/- 2.50   1.038% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  10.90 +/- 5.23   2.910% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    TRP   49  12.66 +/- 3.10   0.826% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50  11.43 +/- 5.19   1.721% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    CYS   50  23.90 +/- 3.83   0.376% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  26.68 +/- 4.87   0.302% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.79 +/- 2.01   0.223% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.12 +/- 2.88   0.225% *  0.0165% (0.32   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 1.88, residual support = 7.14:
    * O T HA    CYS   50 - QB    CYS   50   2.29 +/- 0.14  77.484% * 50.1632% (1.00  10.0 10.00   1.71   7.49) =  87.200%  kept
        T HA    TRP   49 - QB    CYS   50   4.43 +/- 0.29  11.750% * 47.4524% (0.95   1.0 10.00   3.05   4.73) =  12.509%  kept
          HA    ALA   47 - QB    CYS   50   5.80 +/- 1.05   5.680% *  2.2546% (0.45   1.0  1.00   2.00   6.91) =   0.287%  kept
          HA1   GLY  109 - QB    CYS   50  13.84 +/- 3.47   2.274% *  0.0501% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  108 - QB    CYS   50  13.49 +/- 2.76   2.010% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    CYS   50  16.87 +/- 4.08   0.723% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    CYS   50  23.88 +/- 2.33   0.079% *  0.0225% (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 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 = 7.06, residual support = 223.4:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  81.799% * 99.8323% (1.00  10.0 10.00   7.06 223.38) =  99.991%  kept
          HA    ALA   91 - HD2   PRO   52  10.71 +/- 4.15  10.904% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HD2   PRO   52  13.07 +/- 4.77   5.195% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - HD2   PRO   52  22.91 +/- 3.84   0.643% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  16.80 +/- 2.76   1.460% *  0.0198% (0.20   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 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 223.4:
    * O T HB2   PRO   52 - HD2   PRO   52   3.92 +/- 0.09  97.396% * 99.5699% (1.00  10.0 10.00   6.61 223.38) =  99.996%  kept
        T HG2   MET   96 - HD2   PRO   52  19.18 +/- 1.74   0.902% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASP-  62 - HD2   PRO   52  15.95 +/- 1.85   1.702% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.41 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 = 6.66, residual support = 222.4:
    * O T HB3   PRO   52 - HD2   PRO   52   3.97 +/- 0.09  59.452% * 96.3036% (1.00  10.0 10.00   6.68 223.38) =  99.556%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.97 +/- 0.68  12.341% *  1.9509% (0.38   1.0  1.00   1.08   1.92) =   0.419%  kept
          HG2   PRO   93 - HD2   PRO   52   8.34 +/- 3.38  18.083% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.009%
        T HG    LEU  123 - HD2   PRO   52  23.51 +/- 2.13   0.314% *  0.9630% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HD2   PRO   52  15.74 +/- 4.10   1.796% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.005%
          HG3   PRO   68 - HD2   PRO   52  23.88 +/- 4.32   1.632% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   52  13.19 +/- 3.62   3.630% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   PRO   52  26.47 +/- 3.13   0.234% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   52  17.80 +/- 2.57   0.817% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  22.37 +/- 2.12   0.362% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  22.28 +/- 2.52   0.400% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   52  21.99 +/- 2.47   0.396% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.15 +/- 2.32   0.301% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.47 +/- 1.85   0.242% *  0.0149% (0.15   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 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.4:
    * O T HG2   PRO   52 - HD2   PRO   52   2.33 +/- 0.12  93.036% * 99.6094% (1.00  10.0 10.00   6.45 223.38) =  99.995%  kept
          HG2   MET   92 - HD2   PRO   52   9.80 +/- 3.87   4.676% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HD2   PRO   52  13.67 +/- 3.68   1.132% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD2   PRO   52  16.63 +/- 3.63   0.411% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.29 +/- 5.42   0.128% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.79 +/- 1.84   0.581% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.91 +/- 3.40   0.035% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.3:
    * O T HG3   PRO   52 - HD2   PRO   52   2.84 +/- 0.12  87.848% * 98.5427% (1.00  10.0 10.00   6.45 223.38) =  99.978%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.85 +/- 1.79   1.576% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.018%
          HB2   PRO   93 - HD2   PRO   52   8.09 +/- 3.03   7.478% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   68 - HD2   PRO   52  25.14 +/- 4.71   1.968% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLN   32 - HD2   PRO   52  26.80 +/- 3.06   0.125% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.13 +/- 5.17   0.186% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  33.70 +/- 7.09   0.114% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  20.98 +/- 4.63   0.705% *  0.0152% (0.15   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 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 = 5.24, residual support = 223.4:
    * O T HB2   PRO   52 - HA    PRO   52   2.58 +/- 0.21  99.250% * 99.5699% (1.00  10.0 10.00   5.24 223.38) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  20.42 +/- 1.71   0.242% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  15.46 +/- 1.40   0.509% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.4:
    * O T HB3   PRO   52 - HA    PRO   52   2.45 +/- 0.21  79.569% * 99.2796% (1.00  10.0 10.00   6.20 223.38) =  99.990%  kept
          HG2   ARG+  54 - HA    PRO   52   5.50 +/- 1.27  14.355% *  0.0373% (0.38   1.0  1.00   0.02   1.92) =   0.007%
          HG2   PRO   93 - HA    PRO   52   8.68 +/- 3.51   3.665% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    PRO   52  18.60 +/- 4.21   0.326% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    PRO   52  15.75 +/- 4.01   0.911% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  17.90 +/- 1.85   0.243% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  22.11 +/- 2.16   0.123% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  24.04 +/- 3.82   0.257% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.48 +/- 1.76   0.098% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.44 +/- 2.36   0.113% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  22.05 +/- 2.39   0.121% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  25.21 +/- 1.89   0.081% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.57 +/- 3.17   0.071% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  26.42 +/- 1.49   0.069% *  0.0153% (0.15   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 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.3:
    * O T HG2   PRO   52 - HA    PRO   52   3.97 +/- 0.02  79.709% * 99.6094% (1.00  10.0 10.00   5.98 223.38) =  99.984%  kept
          HG2   MET   92 - HA    PRO   52  10.96 +/- 4.21  11.370% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU- 114 - HA    PRO   52  12.86 +/- 3.28   3.977% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HA    PRO   52  19.51 +/- 3.85   1.544% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   58 - HA    PRO   52  12.71 +/- 1.60   2.896% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    PRO   52  29.27 +/- 5.71   0.371% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.01 +/- 3.52   0.133% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.21 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 223.2:
    * O T HG3   PRO   52 - HA    PRO   52   3.88 +/- 0.02  80.166% * 98.7160% (1.00  10.0 10.00   5.95 223.38) =  99.940%  kept
        T HG2   PRO   58 - HA    PRO   52  11.35 +/- 1.66   4.260% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.053%
          HB2   PRO   93 - HA    PRO   52   9.23 +/- 2.96  12.018% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - HA    PRO   52  28.90 +/- 5.93   0.640% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   52  25.42 +/- 4.27   1.619% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    PRO   52  34.63 +/- 7.71   0.268% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.15 +/- 4.77   0.786% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.11 +/- 3.08   0.244% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.62 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 223.4:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  86.863% * 99.4673% (1.00  10.0 10.00   7.06 223.38) =  99.991%  kept
          HA    SER   48 - HA    PRO   52  11.87 +/- 0.86   3.441% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HA    PRO   52  18.91 +/- 4.24   2.165% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HA    PRO   52  27.34 +/- 5.35   2.314% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  19.71 +/- 3.43   1.022% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  19.82 +/- 2.13   0.815% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HA    PRO   52  22.93 +/- 4.81   1.247% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.80 +/- 4.35   0.867% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.12 +/- 3.06   0.202% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  21.05 +/- 1.64   0.632% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.27 +/- 3.96   0.247% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.16 +/- 3.22   0.186% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.61 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 223.4:
    * O T HA    PRO   52 - HB2   PRO   52   2.58 +/- 0.21  86.481% * 99.4915% (1.00  10.0 10.00   5.24 223.38) =  99.994%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.16 +/- 5.53   4.121% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB2   PRO   52  12.01 +/- 4.95   2.690% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - HG2   MET   96  20.42 +/- 1.71   0.210% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   MET   96   9.02 +/- 1.48   4.008% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.59 +/- 3.75   0.633% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  14.12 +/- 3.11   0.767% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.99 +/- 1.50   0.444% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.28 +/- 4.25   0.158% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.42 +/- 1.62   0.488% *  0.0090% (0.09   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 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 = 0.996, support = 6.46, residual support = 222.3:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  70.148% * 96.6832% (1.00  10.0 10.00   6.49 223.38) =  99.481%  kept
          HG12  ILE  103 - HG2   MET   96   4.15 +/- 2.14  16.285% *  2.1507% (0.26   1.0  1.00   1.69   6.47) =   0.514%  kept
          HG2   PRO   93 - HB2   PRO   52   7.80 +/- 4.69   4.851% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HB2   PRO   52   7.56 +/- 1.16   1.156% *  0.0363% (0.38   1.0  1.00   0.02   1.92) =   0.001%
          HB    VAL   41 - HG2   MET   96   7.93 +/- 2.37   1.906% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   MET   96   6.18 +/- 1.57   2.232% *  0.0117% (0.12   1.0  1.00   0.02   6.47) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.93 +/- 2.18   0.057% *  0.2840% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  18.12 +/- 4.28   0.106% *  0.1492% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  14.54 +/- 4.70   0.532% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.20 +/- 0.90   0.770% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  14.84 +/- 3.89   0.377% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.12 +/- 2.25   0.074% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  17.65 +/- 3.03   0.090% *  0.0438% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  22.26 +/- 2.41   0.040% *  0.0967% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.43 +/- 2.90   0.039% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  22.79 +/- 2.80   0.038% *  0.0739% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.17 +/- 1.34   0.564% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  24.12 +/- 3.56   0.054% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  21.14 +/- 3.44   0.051% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  20.19 +/- 3.23   0.057% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  14.10 +/- 1.10   0.147% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  17.57 +/- 3.23   0.097% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  24.07 +/- 3.01   0.031% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  16.13 +/- 2.59   0.114% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.65 +/- 2.41   0.052% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.35 +/- 3.38   0.022% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  17.55 +/- 2.68   0.089% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  25.44 +/- 2.44   0.025% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.3:
    * O T HG2   PRO   52 - HB2   PRO   52   2.56 +/- 0.31  83.318% * 98.9993% (1.00  10.0 10.00   6.19 223.38) =  99.962%  kept
          HG2   MET   92 - HB2   PRO   52   9.68 +/- 5.16  10.368% *  0.2717% (0.65   1.0  1.00   0.08   0.02) =   0.034%
          QG    GLU- 114 - HB2   PRO   52  12.20 +/- 4.18   1.471% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   MET   96  18.67 +/- 2.48   0.238% *  0.2908% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB2   PRO   52  19.09 +/- 4.02   0.464% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.63 +/- 1.70   1.172% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.68 +/- 2.73   0.838% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.51 +/- 1.51   0.669% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.17 +/- 1.84   0.517% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.16 +/- 5.59   0.099% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.86 +/- 3.63   0.280% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.66 +/- 2.86   0.248% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.69 +/- 3.69   0.041% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.78 +/- 2.04   0.276% *  0.0045% (0.05   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 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.999, support = 6.16, residual support = 223.1:
    * O T HG3   PRO   52 - HB2   PRO   52   2.60 +/- 0.24  80.634% * 97.5333% (1.00  10.0 10.00   6.16 223.38) =  99.878%  kept
          HB2   PRO   93 - HB2   PRO   52   8.51 +/- 4.13  14.231% *  0.5689% (0.31   1.0  1.00   0.38   0.02) =   0.103%  kept
        T HG2   PRO   58 - HB2   PRO   52  12.11 +/- 1.75   1.312% *  0.9753% (1.00   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   PRO   52 - HG2   MET   96  19.86 +/- 2.65   0.257% *  0.2865% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - HG2   MET   96  18.66 +/- 1.86   0.256% *  0.2865% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HB2   PRO   52  29.02 +/- 5.65   0.109% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  25.49 +/- 3.96   0.250% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  13.07 +/- 1.15   0.799% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  34.91 +/- 7.57   0.062% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  22.85 +/- 4.82   0.303% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  22.85 +/- 2.86   0.142% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  18.51 +/- 3.05   0.289% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.11 +/- 3.84   0.698% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.91 +/- 3.42   0.496% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  29.12 +/- 5.02   0.077% *  0.0281% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.81 +/- 3.29   0.084% *  0.0193% (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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 223.4:
    * O T HD2   PRO   52 - HB2   PRO   52   3.92 +/- 0.09  74.955% * 99.0230% (1.00  10.0 10.00   6.61 223.38) =  99.985%  kept
          HA    ALA   88 - HB2   PRO   52  17.66 +/- 4.57   2.646% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - HB2   PRO   52  11.75 +/- 1.10   2.969% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - HG2   MET   96  19.18 +/- 1.74   0.694% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HB2   PRO   52  27.54 +/- 5.00   1.117% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  18.73 +/- 3.59   1.054% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  16.54 +/- 3.94   1.615% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   MET   96  16.49 +/- 3.89   1.618% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  20.10 +/- 1.70   0.608% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.90 +/- 4.47   0.834% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  16.57 +/- 2.47   1.520% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  16.74 +/- 3.99   1.530% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  22.98 +/- 4.60   0.745% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  18.34 +/- 1.71   0.841% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.71 +/- 3.41   0.174% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  18.77 +/- 4.82   1.239% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  16.60 +/- 3.84   1.420% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  21.12 +/- 2.25   0.548% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  17.83 +/- 3.57   1.156% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  21.93 +/- 3.38   0.525% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.99 +/- 4.12   0.206% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.65 +/- 3.41   0.881% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.44 +/- 2.94   0.949% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.86 +/- 3.49   0.157% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 6.2, residual support = 223.4:
    * O T HA    PRO   52 - HB3   PRO   52   2.45 +/- 0.21  90.079% * 99.6990% (1.00  10.0 10.00   6.20 223.38) =  99.996%  kept
          HA    LYS+ 111 - HB3   PRO   52  11.26 +/- 5.06   2.407% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52  11.95 +/- 4.73   3.782% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  18.60 +/- 4.21   0.366% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  16.02 +/- 3.06   0.411% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.77 +/- 2.48   1.988% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  24.93 +/- 3.59   0.116% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  17.57 +/- 5.31   0.497% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  21.68 +/- 3.17   0.177% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  20.98 +/- 2.10   0.176% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 223.4:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.445% * 99.4073% (1.00  10.0 10.00   6.49 223.38) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  19.93 +/- 2.18   0.080% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  18.12 +/- 4.28   0.149% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  16.55 +/- 1.42   0.128% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  17.65 +/- 3.03   0.129% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  21.16 +/- 2.99   0.070% *  0.0065% (0.06   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 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 = 6.22, residual support = 223.3:
    * O T HG2   PRO   52 - HB3   PRO   52   2.70 +/- 0.32  75.458% * 99.2147% (1.00  10.0 10.00   6.22 223.38) =  99.943%  kept
          HG2   MET   92 - HB3   PRO   52   9.61 +/- 4.82  13.850% *  0.2862% (0.65   1.0  1.00   0.09   0.02) =   0.053%
          QG    GLU- 114 - HB3   PRO   52  12.54 +/- 3.61   1.700% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   52 - QB    LYS+  81  16.29 +/- 4.31   0.662% *  0.1138% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    LYS+  81   7.14 +/- 0.68   4.868% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  19.37 +/- 4.13   0.386% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.58 +/- 5.08   0.110% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  18.74 +/- 6.49   0.911% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  14.12 +/- 1.39   0.635% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.59 +/- 2.73   0.782% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  21.57 +/- 4.07   0.248% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  35.43 +/- 3.26   0.039% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.89 +/- 2.54   0.235% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  27.78 +/- 4.70   0.115% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.18, residual support = 222.8:
    * O T HG3   PRO   52 - HB3   PRO   52   2.51 +/- 0.25  88.051% * 92.8806% (1.00  10.0 10.00   6.20 223.38) =  99.724%  kept
        T HB2   PRO   93 - HB3   PRO   52   9.06 +/- 3.20   3.793% *  5.6948% (0.31   1.0 10.00   0.40   0.02) =   0.263%  kept
        T HG2   PRO   58 - HB3   PRO   52  12.69 +/- 1.60   0.910% *  0.9288% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   PRO   52 - QB    LYS+  81  16.90 +/- 4.38   0.580% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - QB    LYS+  81  21.90 +/- 4.16   0.465% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB3   PRO   52  26.35 +/- 4.20   0.490% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.83 +/- 5.43   0.157% *  0.0921% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  35.65 +/- 7.21   0.075% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  13.61 +/- 6.44   3.959% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.27 +/- 4.32   0.198% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.75 +/- 2.18   0.669% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  28.35 +/- 2.79   0.073% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.58 +/- 3.66   0.118% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  29.08 +/- 3.44   0.070% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  20.38 +/- 5.20   0.263% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.98 +/- 3.10   0.130% *  0.0040% (0.04   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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 6.67, residual support = 222.6:
    * O T HD2   PRO   52 - HB3   PRO   52   3.97 +/- 0.09  41.953% * 97.2470% (1.00  10.0 10.00   6.68 223.38) =  99.603%  kept
          HB2   SER   82 - QB    LYS+  81   5.27 +/- 0.68  20.538% *  0.7480% (0.04   1.0  1.00   3.93  19.89) =   0.375%  kept
          HA    ALA   88 - HB3   PRO   52  17.68 +/- 4.63   1.663% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - QB    LYS+  81  15.74 +/- 4.10   1.291% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   48 - HB3   PRO   52  11.95 +/- 0.87   1.654% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - QB    LYS+  81   5.50 +/- 0.51  17.092% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB3   PRO   52  31.33 +/- 2.84   0.095% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - QB    LYS+  81  10.76 +/- 4.01   6.490% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  22.97 +/- 5.43   0.426% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   8.91 +/- 0.45   3.852% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  18.74 +/- 3.77   0.647% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  30.59 +/- 3.52   0.111% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PRO   52  23.03 +/- 4.77   0.633% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB3   PRO   52  28.38 +/- 4.98   0.423% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  20.88 +/- 1.88   0.319% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  21.40 +/- 5.76   0.543% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  32.56 +/- 2.97   0.085% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  23.76 +/- 4.63   0.346% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  21.69 +/- 1.99   0.287% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  24.90 +/- 4.95   0.265% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  19.71 +/- 2.66   0.453% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  21.27 +/- 4.99   0.356% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.18 +/- 3.93   0.189% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.34 +/- 3.84   0.290% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.46 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.3:
    * O T HA    PRO   52 - HG2   PRO   52   3.97 +/- 0.02  71.843% * 99.8323% (1.00  10.0 10.00   5.98 223.38) =  99.984%  kept
          HA    LYS+ 111 - HG2   PRO   52  11.88 +/- 5.30   9.022% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   91 - HG2   PRO   52  10.22 +/- 4.98  17.062% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HA    VAL  107 - HG2   PRO   52  15.70 +/- 3.27   1.572% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  23.42 +/- 3.85   0.501% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 6.19, residual support = 223.4:
    * O T HB2   PRO   52 - HG2   PRO   52   2.56 +/- 0.31  99.248% * 99.5699% (1.00  10.0 10.00   6.19 223.38) =  99.999%  kept
        T HG2   MET   96 - HG2   PRO   52  18.67 +/- 2.48   0.283% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG2   PRO   52  16.27 +/- 1.71   0.468% *  0.0564% (0.57   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 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 223.4:
    * O T HB3   PRO   52 - HG2   PRO   52   2.70 +/- 0.32  69.714% * 99.2796% (1.00  10.0 10.00   6.22 223.38) =  99.985%  kept
          HG2   PRO   93 - HG2   PRO   52   7.54 +/- 4.20  22.857% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.010%
          HG2   ARG+  54 - HG2   PRO   52   8.15 +/- 0.74   2.847% *  0.0373% (0.38   1.0  1.00   0.02   1.92) =   0.002%
        T QB    LYS+  81 - HG2   PRO   52  16.29 +/- 4.31   0.630% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG2   PRO   52  12.83 +/- 4.42   2.459% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   52  18.23 +/- 2.50   0.299% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.84 +/- 2.59   0.162% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  23.17 +/- 2.24   0.130% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.20 +/- 2.62   0.168% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  24.25 +/- 3.93   0.239% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  21.19 +/- 2.93   0.178% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.50 +/- 2.73   0.129% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.81 +/- 3.12   0.087% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.95 +/- 2.21   0.103% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 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 = 223.4:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  95.966% * 98.7160% (1.00  10.0 10.00   5.97 223.38) =  99.995%  kept
        T HG2   PRO   58 - HG2   PRO   52  13.08 +/- 1.66   0.353% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - HG2   PRO   52   7.80 +/- 3.72   3.254% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HG2   PRO   52  25.56 +/- 4.29   0.200% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  28.76 +/- 4.97   0.039% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  34.54 +/- 6.88   0.023% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.59 +/- 4.46   0.134% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  27.11 +/- 3.05   0.030% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.4:
    * O T HD2   PRO   52 - HG2   PRO   52   2.33 +/- 0.12  95.021% * 99.4673% (1.00  10.0 10.00   6.45 223.38) =  99.996%  kept
          HA    ALA   88 - HG2   PRO   52  15.88 +/- 4.51   1.933% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HG2   PRO   52   9.73 +/- 1.09   1.495% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   PRO   52  16.99 +/- 3.54   0.398% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.91 +/- 4.42   0.327% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  19.89 +/- 1.87   0.171% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  27.59 +/- 4.68   0.168% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  22.67 +/- 4.67   0.189% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.97 +/- 3.22   0.051% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.00 +/- 1.96   0.139% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  29.14 +/- 3.75   0.061% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.26 +/- 3.23   0.045% *  0.0153% (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 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 223.2:
    * O T HA    PRO   52 - HG3   PRO   52   3.88 +/- 0.02  66.927% * 98.8988% (1.00  10.0 10.00   5.95 223.38) =  99.938%  kept
        T HA    PRO   52 - HG2   PRO   58  11.35 +/- 1.66   3.547% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.043%
          HA    LYS+ 111 - HG3   PRO   52  12.59 +/- 5.53   7.439% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   91 - HG3   PRO   52  10.81 +/- 5.20  12.354% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HA    LYS+ 111 - HG2   PRO   58  12.88 +/- 3.28   5.167% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - HG2   PRO   58  21.09 +/- 4.09   0.909% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   58  15.37 +/- 2.79   1.453% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  16.74 +/- 3.40   1.106% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  24.60 +/- 4.09   0.371% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  18.84 +/- 2.83   0.727% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.3:
    * O T HB2   PRO   52 - HG3   PRO   52   2.60 +/- 0.24  85.739% * 98.4337% (1.00  10.0 10.00   6.16 223.38) =  99.978%  kept
        T HB2   PRO   52 - HG2   PRO   58  12.11 +/- 1.75   1.393% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.013%
          HB2   ASP-  62 - HG2   PRO   58   6.44 +/- 1.45  11.974% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   MET   96 - HG3   PRO   52  19.86 +/- 2.65   0.277% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  18.66 +/- 1.86   0.276% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  17.37 +/- 1.99   0.339% *  0.0557% (0.57   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 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 223.3:
    * O T HB3   PRO   52 - HG3   PRO   52   2.51 +/- 0.25  73.762% * 97.4419% (1.00  10.0 10.00   6.20 223.38) =  99.948%  kept
        T HG2   PRO   93 - HG3   PRO   52   8.69 +/- 4.26   6.770% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.028%
        T HB3   PRO   52 - HG2   PRO   58  12.69 +/- 1.60   0.760% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   PRO   93 - HG2   PRO   58  11.55 +/- 3.30   1.472% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HG2   PRO   58   9.23 +/- 1.98   4.714% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG3   PRO   52   8.61 +/- 0.92   2.497% *  0.0366% (0.38   1.0  1.00   0.02   1.92) =   0.001%
          HG    LEU  123 - HG2   PRO   58  12.51 +/- 2.89   1.124% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG3   PRO   52  16.90 +/- 4.38   0.484% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  10.93 +/- 2.52   1.603% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG3   PRO   52  13.11 +/- 4.79   3.206% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   58  21.90 +/- 4.16   0.392% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG2   PRO   58  18.91 +/- 2.69   0.334% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  16.48 +/- 2.87   0.438% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  25.36 +/- 4.13   0.315% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.21 +/- 2.66   0.241% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.88 +/- 3.29   0.459% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  20.88 +/- 2.54   0.169% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  24.24 +/- 2.29   0.105% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.02 +/- 2.72   0.112% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.52 +/- 2.65   0.106% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  22.34 +/- 3.12   0.148% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.95 +/- 2.53   0.127% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.63 +/- 2.89   0.094% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.63 +/- 3.43   0.171% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  22.06 +/- 3.01   0.140% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.90 +/- 3.33   0.068% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.56 +/- 2.42   0.114% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.98 +/- 2.31   0.077% *  0.0150% (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 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 5.9, residual support = 220.0:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  58.916% * 86.8129% (1.00  10.0 10.00   5.97 223.38) =  95.551%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.53 +/- 0.30  21.854% * 10.8440% (0.12  10.0 10.00   4.27 147.91) =   4.427%  kept
          HG2   MET   92 - HG3   PRO   52   9.23 +/- 5.15   8.827% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU- 114 - HG2   PRO   58  11.32 +/- 2.77   9.015% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.009%
        T HG2   PRO   52 - HG2   PRO   58  13.08 +/- 1.66   0.195% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HG2   PRO   58  20.32 +/- 4.30   0.556% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG3   PRO   52  13.60 +/- 4.07   0.251% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.19 +/- 1.66   0.103% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  28.77 +/- 3.78   0.017% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  18.39 +/- 3.99   0.085% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  16.50 +/- 3.37   0.101% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.42 +/- 3.62   0.008% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  27.53 +/- 6.10   0.048% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.01 +/- 5.42   0.024% *  0.0821% (0.95   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 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 = 223.3:
    * O T HD2   PRO   52 - HG3   PRO   52   2.84 +/- 0.12  86.331% * 96.1754% (1.00  10.0 10.00   6.45 223.38) =  99.975%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.85 +/- 1.79   1.548% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.015%
          HA    ALA   88 - HG3   PRO   52  16.34 +/- 4.73   2.624% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - HG3   PRO   52  10.32 +/- 1.17   2.033% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   PRO   58  26.59 +/- 3.49   0.135% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   PRO   52  31.16 +/- 3.37   0.076% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  12.89 +/- 1.46   1.067% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  17.05 +/- 2.69   0.599% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  26.32 +/- 4.34   0.166% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  17.45 +/- 3.72   0.650% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  11.93 +/- 2.31   1.575% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  30.30 +/- 4.04   0.090% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  26.55 +/- 3.62   0.134% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  28.66 +/- 5.10   0.319% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.13 +/- 3.40   0.183% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.71 +/- 4.46   0.399% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  21.05 +/- 1.92   0.236% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  16.96 +/- 3.16   0.591% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  20.37 +/- 3.07   0.281% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  32.49 +/- 3.45   0.066% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  23.87 +/- 4.98   0.289% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.92 +/- 2.92   0.191% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  26.85 +/- 3.98   0.246% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  23.07 +/- 2.16   0.172% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 44.3:
    * O T HB2   CYS   53 - HA    CYS   53   2.90 +/- 0.15  79.651% * 89.5600% (1.00  10.0 10.00   2.96  44.16) =  98.840%  kept
          HD3   PRO   52 - HA    CYS   53   6.22 +/- 0.06   8.249% * 10.0702% (0.69   1.0  1.00   3.27  55.84) =   1.151%  kept
          HD2   PRO   58 - HA    CYS   53   7.23 +/- 1.76  10.276% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   SER   82 - HA    CYS   53  21.34 +/- 4.32   0.751% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    CYS   53  19.11 +/- 3.63   0.792% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.56 +/- 3.34   0.173% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.94 +/- 2.02   0.108% *  0.0368% (0.41   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 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.37, residual support = 43.2:
    * O T HB3   CYS   53 - HA    CYS   53   2.63 +/- 0.24  58.507% * 79.1405% (1.00  10.0 10.00   3.39  44.16) =  96.444%  kept
          HD2   ARG+  54 - HA    CYS   53   7.15 +/- 1.08   5.431% * 16.2508% (0.99   1.0  1.00   4.14  31.70) =   1.838%  kept
          QB    PHE   55 - HA    CYS   53   4.25 +/- 0.92  18.873% *  3.8362% (0.87   1.0  1.00   1.12   0.02) =   1.508%  kept
          HD3   PRO   93 - HA    CYS   53   7.04 +/- 3.72  15.267% *  0.6514% (0.95   1.0  1.00   0.17   0.02) =   0.207%  kept
          HB2   PHE   59 - HA    CYS   53   9.49 +/- 1.55   1.703% *  0.0480% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    CYS   53  19.28 +/- 2.92   0.219% *  0.0731% (0.92   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 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 +/- 0.15  96.398% * 98.9901% (1.00  10.0 10.00   2.96  44.16) =  99.995%  kept
        T HA    GLU-  25 - HB2   CYS   53  23.40 +/- 4.05   0.370% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   82 - HB2   CYS   53  19.52 +/- 3.96   0.670% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  19.61 +/- 3.70   0.497% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  15.07 +/- 3.20   1.776% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  23.67 +/- 3.73   0.289% *  0.0482% (0.49   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 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 = 3.48, residual support = 44.0:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  89.403% * 79.3966% (1.00  10.0 10.00   3.47  44.16) =  98.719%  kept
          HD2   ARG+  54 - HB2   CYS   53   6.58 +/- 1.34   4.873% * 17.4994% (0.99   1.0  1.00   4.45  31.70) =   1.186%  kept
          QB    PHE   55 - HB2   CYS   53   6.04 +/- 0.39   2.279% *  2.9074% (0.87   1.0  1.00   0.84   0.02) =   0.092%
          HD3   PRO   93 - HB2   CYS   53   7.67 +/- 3.01   2.698% *  0.0751% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HB2   CYS   53  10.53 +/- 1.13   0.485% *  0.0482% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  19.03 +/- 3.48   0.262% *  0.0733% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.39, residual support = 44.2:
    * O T HA    CYS   53 - HB3   CYS   53   2.63 +/- 0.24  96.922% * 99.7562% (1.00  10.0 10.00   3.39  44.16) =  99.999%  kept
          HA    GLU- 114 - HB3   CYS   53  14.91 +/- 3.61   1.780% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   CYS   53  19.75 +/- 3.45   0.316% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.58 +/- 4.38   0.273% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  23.83 +/- 4.00   0.213% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.44 +/- 4.14   0.495% *  0.0175% (0.18   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 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.47, residual support = 44.2:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  93.666% * 86.5396% (1.00  10.0 10.00   3.47  44.16) =  99.569%  kept
          HD3   PRO   52 - HB3   CYS   53   6.00 +/- 0.69   2.636% * 13.2572% (0.69   1.0  1.00   4.46  55.84) =   0.429%  kept
          HD2   PRO   58 - HB3   CYS   53   8.06 +/- 1.85   2.985% *  0.0455% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   CYS   53  18.03 +/- 3.66   0.353% *  0.0388% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.03 +/- 4.33   0.285% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.99 +/- 3.19   0.046% *  0.0661% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.82 +/- 2.10   0.028% *  0.0356% (0.41   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 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 = 5.72, residual support = 169.0:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.80 +/- 0.18  75.361% * 98.6035% (1.00  10.0 10.00   5.72 168.99) =  99.982%  kept
          HB2   PRO   93 - HA    ARG+  54   8.58 +/- 2.14   4.729% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   ARG+  54 - HA    LEU  115  14.39 +/- 2.23   0.953% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HA    LEU  115   6.14 +/- 0.93   9.531% *  0.0263% (0.27   1.0  1.00   0.02   9.71) =   0.003%
          HB    VAL  108 - HA    ARG+  54  16.86 +/- 3.18   0.942% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    LEU  115   9.76 +/- 1.13   2.518% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115  10.42 +/- 2.27   2.063% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    ARG+  54  14.09 +/- 1.36   0.643% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    ARG+  54  25.45 +/- 5.04   0.239% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  30.91 +/- 6.88   0.110% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.65 +/- 3.80   0.203% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  21.29 +/- 4.19   0.581% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.90 +/- 4.44   0.215% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  18.92 +/- 3.36   0.399% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  23.44 +/- 3.37   0.180% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  19.85 +/- 3.91   0.400% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  29.94 +/- 2.57   0.066% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  30.17 +/- 4.75   0.082% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.71 +/- 2.25   0.177% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.42 +/- 3.10   0.607% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.10 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.994, support = 5.64, residual support = 167.4:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.90 +/- 0.72  62.332% * 86.9914% (1.00  10.0 10.00   5.69 168.99) =  99.070%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.77 +/- 0.33   4.522% *  8.7876% (0.38   1.0 10.00   0.54   1.92) =   0.726%  kept
          HB    ILE   56 - HA    ARG+  54   6.83 +/- 0.83   7.889% *  1.0789% (0.41   1.0  1.00   0.60   0.02) =   0.156%  kept
        T HG3   PRO   68 - HA    ARG+  54  20.39 +/- 4.17   1.061% *  0.8622% (0.99   1.0 10.00   0.02   0.02) =   0.017%
        T QB    LYS+  81 - HA    ARG+  54  18.42 +/- 4.26   0.685% *  0.7546% (0.87   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   PRO   68 - HA    LEU  115  15.94 +/- 3.40   1.091% *  0.2653% (0.30   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HA    LEU  115  14.25 +/- 2.30   0.991% *  0.2677% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HA    LEU  115  10.02 +/- 2.89   4.504% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - HA    LEU  115  14.63 +/- 2.53   1.087% *  0.1005% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HA    LEU  115  21.48 +/- 2.54   0.322% *  0.2322% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  115   9.94 +/- 2.39   3.083% *  0.0224% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   8.48 +/- 1.72   5.554% *  0.0110% (0.13   1.0  1.00   0.02   0.15) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  17.72 +/- 2.80   0.492% *  0.0803% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  17.34 +/- 2.34   0.523% *  0.0727% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  20.70 +/- 2.39   0.292% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.60 +/- 3.54   0.213% *  0.0840% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.85 +/- 2.45   0.646% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.18 +/- 2.27   0.168% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.70 +/- 1.21   1.284% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.15 +/- 2.44   0.346% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  20.67 +/- 2.91   0.283% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  19.95 +/- 1.34   0.281% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.26 +/- 2.31   0.864% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.54 +/- 4.03   0.299% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.14 +/- 2.21   0.221% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  21.62 +/- 4.12   0.422% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  28.78 +/- 3.69   0.113% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  19.18 +/- 3.79   0.432% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.20 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.985, support = 5.42, residual support = 144.7:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.92 +/- 0.88  34.548% * 72.4539% (1.00 10.00   5.67 168.99) =  83.743%  kept
          HB3   CYS   53 - HA    ARG+  54   5.04 +/- 0.59  18.543% * 14.8745% (0.99  1.00   4.14  31.70) =   9.228%  kept
          QB    PHE   55 - HA    ARG+  54   5.04 +/- 0.17  17.159% * 12.1917% (0.80  1.00   4.20   4.16) =   6.999%  kept
          HD3   PRO   93 - HA    ARG+  54   9.98 +/- 2.59   3.124% *  0.0650% (0.90  1.00   0.02   0.02) =   0.007%
        T HD2   ARG+  54 - HA    LEU  115  15.32 +/- 2.50   0.723% *  0.2229% (0.31 10.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    LEU  115   6.57 +/- 1.55  11.493% *  0.0117% (0.16  1.00   0.02  29.39) =   0.005%
          HB2   PHE   59 - HA    ARG+  54   9.32 +/- 1.26   3.379% *  0.0381% (0.53  1.00   0.02   0.02) =   0.004%
          HD3   PRO   68 - HA    ARG+  54  18.74 +/- 3.74   1.293% *  0.0628% (0.87  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HA    LEU  115  12.70 +/- 2.56   3.061% *  0.0221% (0.30  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HA    LEU  115  10.28 +/- 2.32   3.084% *  0.0179% (0.25  1.00   0.02   5.76) =   0.002%
          HD3   PRO   68 - HA    LEU  115  14.63 +/- 3.19   2.051% *  0.0193% (0.27  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    LEU  115  11.78 +/- 1.59   1.542% *  0.0200% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 4.78 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 = 5.72, residual support = 169.0:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.80 +/- 0.18  89.458% * 98.5625% (1.00  10.0 10.00   5.72 168.99) =  99.990%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.39 +/- 2.23   1.142% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HA    ARG+  54 - HB2   GLU-  14  25.45 +/- 5.04   0.283% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.77 +/- 4.52   0.473% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  23.44 +/- 3.37   0.214% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  16.01 +/- 2.62   1.027% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  15.96 +/- 4.77   1.811% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  25.45 +/- 4.55   0.213% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  30.91 +/- 6.88   0.130% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  25.98 +/- 1.94   0.126% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  22.72 +/- 6.36   0.568% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.84 +/- 3.20   1.056% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  30.17 +/- 4.75   0.097% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  27.45 +/- 3.59   0.122% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  20.17 +/- 6.98   0.808% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  16.96 +/- 3.83   0.558% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  33.37 +/- 3.77   0.062% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.89 +/- 2.90   0.077% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.00 +/- 4.58   0.455% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  28.95 +/- 7.45   0.196% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.37 +/- 5.22   0.352% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.78 +/- 4.05   0.141% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  23.63 +/- 4.62   0.212% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  32.10 +/- 4.05   0.080% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.83 +/- 6.22   0.133% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  27.06 +/- 3.94   0.138% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  33.68 +/- 5.13   0.067% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.992, support = 5.0, residual support = 160.2:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.69 +/- 0.55  65.819% * 74.1472% (1.00  10.0 10.00   5.09 168.99) =  94.337%  kept
          QB    PHE   55 - HB2   ARG+  54   4.86 +/- 0.58  17.840% * 10.2916% (0.80   1.0  1.00   3.47   4.16) =   3.549%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.11 +/- 0.66   7.852% * 13.6725% (0.99   1.0  1.00   3.72  31.70) =   2.075%  kept
        T HD3   PRO   93 - HB2   ARG+  54  10.46 +/- 2.54   2.032% *  0.6650% (0.90   1.0 10.00   0.02   0.02) =   0.026%
        T HD3   PRO   68 - HB2   ARG+  54  20.36 +/- 4.14   0.525% *  0.6432% (0.87   1.0 10.00   0.02   0.02) =   0.007%
        T HD3   PRO   68 - HB2   GLU-  14  15.34 +/- 3.27   0.961% *  0.0946% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HB2   GLU-  14  27.43 +/- 6.47   0.793% *  0.1090% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   ARG+  54  11.12 +/- 1.23   1.430% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HG2   MET   11  21.42 +/- 4.78   0.303% *  0.0622% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  32.75 +/- 7.87   0.234% *  0.0717% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  24.58 +/- 4.92   1.043% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  27.57 +/- 2.49   0.093% *  0.0978% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  33.77 +/- 4.39   0.067% *  0.0643% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.43 +/- 3.75   0.189% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  21.92 +/- 3.23   0.314% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  29.89 +/- 6.45   0.261% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  31.08 +/- 6.02   0.130% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  28.36 +/- 5.14   0.114% *  0.0038% (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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 169.0:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.92 +/- 0.88  90.786% * 99.0328% (1.00 10.00   5.67 168.99) =  99.982%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.32 +/- 2.50   2.199% *  0.6007% (0.61 10.00   0.02   0.02) =   0.015%
          HA    LYS+  81 - HD2   ARG+  54  20.27 +/- 4.66   2.151% *  0.0641% (0.65  1.00   0.02   0.02) =   0.002%
          HA    GLU- 114 - HD2   ARG+  54  16.74 +/- 2.93   3.132% *  0.0173% (0.18  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HD2   ARG+  54  26.53 +/- 2.96   0.364% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  26.52 +/- 4.44   0.532% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  28.42 +/- 3.76   0.403% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  34.31 +/- 3.89   0.211% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.97 +/- 2.93   0.223% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.08, residual support = 168.9:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.69 +/- 0.55  88.310% * 97.9068% (1.00  10.0 10.00   5.09 168.99) =  99.926%  kept
        T HB2   PRO   93 - HD2   ARG+  54  10.51 +/- 2.02   6.529% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.064%
        T HG3   GLN   30 - HD2   ARG+  54  25.43 +/- 4.45   0.734% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  14 - HD2   ARG+  54  27.43 +/- 6.47   1.276% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HD2   ARG+  54  18.87 +/- 3.17   0.700% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD2   ARG+  54  32.75 +/- 7.87   0.375% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   ARG+  54  16.51 +/- 2.20   0.724% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   ARG+  54  25.24 +/- 4.05   0.681% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD2   ARG+  54  23.34 +/- 5.37   0.557% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  32.71 +/- 3.00   0.114% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.996, support = 4.89, residual support = 168.0:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.78 +/- 0.25  89.666% * 88.8324% (1.00  10.0 10.00   4.92 168.99) =  99.423%  kept
        T HB3   PRO   52 - HD2   ARG+  54   7.97 +/- 1.32   5.036% *  8.9735% (0.38   1.0 10.00   0.54   1.92) =   0.564%  kept
        T QB    LYS+  81 - HD2   ARG+  54  19.30 +/- 4.73   0.662% *  0.7706% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   PRO   68 - HD2   ARG+  54  22.51 +/- 5.28   0.350% *  0.8805% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HD2   ARG+  54   9.63 +/- 1.11   2.467% *  0.0365% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   ARG+  54  18.29 +/- 2.94   0.465% *  0.0820% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.42 +/- 2.42   0.322% *  0.0742% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.36 +/- 2.50   0.166% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.94 +/- 3.72   0.117% *  0.0857% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.76 +/- 2.73   0.111% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.47 +/- 3.25   0.244% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.12 +/- 4.19   0.180% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  24.76 +/- 2.75   0.140% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  31.45 +/- 4.10   0.072% *  0.0247% (0.28   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 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 = 0.998, support = 3.73, residual support = 20.7:
    * O T QB    PHE   55 - HA    PHE   55   2.42 +/- 0.12  83.178% * 87.4262% (1.00  10.0 10.00   3.73  20.93) =  98.780%  kept
          HD2   ARG+  54 - HA    PHE   55   5.84 +/- 0.78   7.462% * 11.9481% (0.80   1.0  1.00   3.41   4.16) =   1.211%  kept
          HB3   CYS   53 - HA    PHE   55   7.84 +/- 0.32   2.553% *  0.0758% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HA    PHE   55   8.95 +/- 1.04   2.144% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   55  11.14 +/- 3.24   1.532% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QB    PHE   55 - HA    VAL   42  16.31 +/- 1.39   0.300% *  0.2058% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    VAL   42  11.54 +/- 1.73   1.006% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.04 +/- 2.89   0.189% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.69 +/- 1.63   0.732% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.29 +/- 1.32   0.375% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.27 +/- 1.71   0.327% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.43 +/- 2.95   0.203% *  0.0165% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 3.73, residual support = 20.9:
    * O T HA    PHE   55 - QB    PHE   55   2.42 +/- 0.12  92.156% * 98.7080% (1.00  10.0 10.00   3.73  20.93) =  99.949%  kept
          HA    ALA  110 - QB    PHE   55   9.16 +/- 4.44   6.860% *  0.6398% (0.87   1.0  1.00   0.15   0.14) =   0.048%
        T HA    VAL   42 - QB    PHE   55  16.31 +/- 1.39   0.332% *  0.5588% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  15.23 +/- 3.25   0.652% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 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 = 4.34, residual support = 122.3:
    * O T HB    ILE   56 - HA    ILE   56   2.47 +/- 0.17  86.744% * 84.1269% (1.00  10.0 10.00   4.38 123.83) =  98.732%  kept
        T HB3   PRO   58 - HA    ILE   56   6.57 +/- 1.30   6.105% * 15.3038% (0.49   1.0 10.00   0.75   0.02) =   1.264%  kept
          HG2   ARG+  54 - HA    ILE   56   7.29 +/- 0.79   4.037% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    ILE   56  14.22 +/- 3.34   1.017% *  0.0578% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  15.80 +/- 2.39   0.434% *  0.0643% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.79 +/- 4.23   0.338% *  0.0611% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  19.75 +/- 3.21   0.232% *  0.0544% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.26 +/- 3.69   0.171% *  0.0703% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  17.79 +/- 2.81   0.298% *  0.0377% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.79 +/- 3.22   0.295% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.92 +/- 3.57   0.081% *  0.0812% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.83 +/- 3.16   0.121% *  0.0476% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  22.60 +/- 2.01   0.127% *  0.0316% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 123.8:
    * O   QG2   ILE   56 - HA    ILE   56   2.76 +/- 0.44  94.167% * 98.4757% (1.00  10.0  1.00   4.73 123.83) =  99.996%  kept
        T HG3   LYS+  38 - HA    ILE   56  27.77 +/- 3.02   0.125% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   56  13.93 +/- 2.69   1.444% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ILE   56  19.64 +/- 5.18   0.614% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  24.60 +/- 2.33   0.171% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.46 +/- 2.55   0.368% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  14.57 +/- 3.36   1.742% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.15 +/- 2.29   0.416% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  20.65 +/- 3.63   0.329% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.30 +/- 4.13   0.625% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 123.8:
    * O T QG1   ILE   56 - HA    ILE   56   2.96 +/- 0.44  95.256% * 97.9351% (1.00  10.0 10.00   3.88 123.83) =  99.991%  kept
        T QD    LYS+ 106 - HA    ILE   56  16.83 +/- 2.64   0.623% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+  99 - HA    ILE   56  23.25 +/- 2.54   0.248% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HA    ILE   56  21.14 +/- 2.56   0.336% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   89 - HA    ILE   56  18.69 +/- 2.82   0.779% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    ILE   56  17.25 +/- 4.45   1.181% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  12.92 +/- 3.21   1.578% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.38, residual support = 123.6:
    * O T HA    ILE   56 - HB    ILE   56   2.47 +/- 0.17  89.310% * 96.6016% (1.00  10.0 10.00   4.38 123.83) =  99.845%  kept
        T HA    PRO   58 - HB    ILE   56   7.12 +/- 1.37   6.044% *  2.1134% (0.28   1.0 10.00   0.16   0.02) =   0.148%  kept
        T HA    LEU  123 - HB    ILE   56  16.10 +/- 2.27   0.403% *  0.9469% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASP- 113 - HB    ILE   56   8.99 +/- 2.52   3.564% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB    ILE   56  21.85 +/- 2.53   0.154% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.39 +/- 3.13   0.085% *  0.0964% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.03 +/- 2.41   0.198% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  23.48 +/- 3.04   0.133% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.35 +/- 5.25   0.108% *  0.0241% (0.25   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 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 123.8:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.01  97.018% * 98.4757% (1.00  10.0 10.00   5.52 123.83) =  99.998%  kept
          QB    ALA   91 - HB    ILE   56  13.26 +/- 3.04   0.794% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB    ILE   56  27.03 +/- 2.93   0.055% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HB    ILE   56  19.59 +/- 4.96   0.324% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.47 +/- 2.43   0.081% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.89 +/- 2.52   0.175% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.58 +/- 2.38   0.220% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  14.33 +/- 3.66   0.799% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.37 +/- 3.88   0.182% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  19.82 +/- 4.11   0.352% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 123.8:
    * O T QG1   ILE   56 - HB    ILE   56   2.23 +/- 0.11  96.697% * 98.7886% (1.00  10.0 10.00   4.62 123.83) =  99.996%  kept
        T QD    LYS+ 106 - HB    ILE   56  15.51 +/- 2.58   0.375% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HB    ILE   56  20.15 +/- 2.48   0.153% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  11.95 +/- 3.69   1.653% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.83 +/- 4.51   0.698% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  17.83 +/- 3.03   0.309% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  22.09 +/- 2.54   0.116% *  0.0968% (0.98   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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 123.8:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.01  87.376% * 98.4311% (1.00  10.0 10.00   5.52 123.83) =  99.991%  kept
          HB3   PRO   58 - QG2   ILE   56   6.88 +/- 1.07   3.300% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG2   ILE   56   6.58 +/- 1.01   3.864% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   ILE   56  10.34 +/- 3.53   2.278% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LYS+  38 - QG2   ILE   56  21.98 +/- 2.64   0.090% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  11.66 +/- 2.08   0.678% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG2   ILE   56  16.45 +/- 3.95   0.512% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  15.11 +/- 3.56   0.465% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  13.58 +/- 2.30   0.434% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.73 +/- 2.68   0.506% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.04 +/- 2.83   0.183% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.55 +/- 2.38   0.139% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  17.36 +/- 1.82   0.175% *  0.0369% (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 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 = 123.8:
    * O T QG1   ILE   56 - QG2   ILE   56   2.39 +/- 0.21  91.141% * 98.7886% (1.00  10.0 10.00   4.86 123.83) =  99.992%  kept
        T QD    LYS+ 106 - QG2   ILE   56  12.53 +/- 2.37   0.794% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QG2   ILE   56  16.77 +/- 1.99   0.302% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QG2   ILE   56   9.22 +/- 3.46   5.159% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  14.13 +/- 3.13   0.809% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QG2   ILE   56  13.69 +/- 4.03   1.563% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QG2   ILE   56  18.30 +/- 2.14   0.232% *  0.0968% (0.98   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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.87, residual support = 123.1:
    * O T HA    ILE   56 - QG1   ILE   56   2.96 +/- 0.44  70.871% * 95.8785% (1.00  10.0 10.00   3.88 123.83) =  99.382%  kept
          HA    PRO   58 - QG1   ILE   56   5.93 +/- 0.91  14.951% *  2.3174% (0.28   1.0  1.00   1.74   0.02) =   0.507%  kept
        T HA    ASP- 113 - QG1   ILE   56   7.68 +/- 2.15  11.422% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.104%  kept
        T HA    LYS+  99 - QG1   ILE   56  18.14 +/- 1.89   0.398% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HA    LEU  123 - QG1   ILE   56  13.73 +/- 1.22   0.890% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QG1   ILE   56  22.11 +/- 2.67   0.219% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.45 +/- 2.02   0.524% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  19.65 +/- 2.35   0.385% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.18 +/- 4.35   0.340% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.61, residual support = 123.5:
    * O T HB    ILE   56 - QG1   ILE   56   2.23 +/- 0.11  88.602% * 93.5174% (1.00  10.0 10.00   4.62 123.83) =  99.693%  kept
          HB3   PRO   58 - QG1   ILE   56   6.47 +/- 0.92   4.736% *  5.2066% (0.49   1.0  1.00   2.29   0.02) =   0.297%  kept
        T QB    LYS+ 106 - QG1   ILE   56  12.10 +/- 2.10   0.811% *  0.7147% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - QG1   ILE   56   7.78 +/- 1.07   2.496% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG1   ILE   56  11.59 +/- 3.01   1.199% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  13.61 +/- 2.25   0.494% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.89 +/- 3.53   0.293% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.08 +/- 3.00   0.240% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  16.80 +/- 2.76   0.282% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.41 +/- 2.30   0.367% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  21.91 +/- 2.82   0.113% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.68 +/- 2.56   0.169% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.82 +/- 1.75   0.199% *  0.0351% (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 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 123.8:
    * O T QG2   ILE   56 - QG1   ILE   56   2.39 +/- 0.21  91.624% * 98.4757% (1.00  10.0 10.00   4.86 123.83) =  99.995%  kept
        T HG3   LYS+  38 - QG1   ILE   56  22.70 +/- 2.46   0.130% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QG1   ILE   56  11.58 +/- 2.46   1.322% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG1   ILE   56  11.62 +/- 3.37   3.480% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QG1   ILE   56  16.72 +/- 4.03   0.673% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.45 +/- 1.97   0.588% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.66 +/- 2.06   0.449% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.64 +/- 1.87   0.187% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.26 +/- 3.42   1.125% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.88 +/- 3.03   0.423% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.927, support = 6.55, residual support = 143.8:
    * O T HA    PRO   58 - HD2   PRO   58   3.85 +/- 0.09  39.095% * 97.5505% (0.95  10.0 10.00   6.70 147.91) =  97.232%  kept
          HA    ILE   56 - HD2   PRO   58   3.54 +/- 1.27  56.321% *  1.9229% (0.26   1.0  1.00   1.42   0.02) =   2.761%  kept
          HA    THR   46 - HD2   PRO   58  11.47 +/- 2.34   1.884% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - HD2   PRO   58  18.30 +/- 3.47   0.592% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HD2   PRO   58  15.64 +/- 2.21   0.821% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HD2   PRO   58  20.23 +/- 2.35   0.294% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  22.02 +/- 2.65   0.266% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  25.70 +/- 4.99   0.209% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HD2   PRO   58  26.91 +/- 3.27   0.157% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.49 +/- 2.56   0.226% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.35 +/- 3.24   0.135% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 6.9, residual support = 147.8:
    * O T HB2   PRO   58 - HD2   PRO   58   3.98 +/- 0.21  81.756% * 99.1030% (0.95  10.0 10.00   6.91 147.91) =  99.950%  kept
          HB2   GLN  116 - HD2   PRO   58   9.62 +/- 2.01  11.067% *  0.3379% (0.54   1.0  1.00   0.12   0.02) =   0.046%
        T HB2   GLU- 100 - HD2   PRO   58  26.88 +/- 2.49   0.300% *  0.4443% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HD2   PRO   58  17.48 +/- 2.72   1.342% *  0.0720% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HD2   PRO   58  11.29 +/- 1.57   4.922% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  27.01 +/- 6.05   0.613% *  0.0276% (0.26   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 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.82, residual support = 141.6:
    * O T HB3   PRO   58 - HD2   PRO   58   3.75 +/- 0.25  45.327% * 92.5386% (0.79  10.0 10.00   7.08 147.91) =  95.727%  kept
          HB    ILE   56 - HD2   PRO   58   4.45 +/- 1.63  37.282% *  4.9938% (0.79   1.0  1.00   1.08   0.02) =   4.249%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.38 +/- 3.72   0.315% *  1.1079% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          HB2   MET   92 - HD2   PRO   58  15.45 +/- 3.79   2.183% *  0.1069% (0.91   1.0  1.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HD2   PRO   58   7.50 +/- 1.67  12.442% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LYS+  38 - HD2   PRO   58  26.08 +/- 3.26   0.152% *  1.0480% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HD2   PRO   58  16.71 +/- 2.49   0.624% *  0.0455% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD2   PRO   58  20.55 +/- 3.92   0.449% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  20.62 +/- 3.12   0.351% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  18.35 +/- 3.03   0.471% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  22.86 +/- 3.37   0.256% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  29.77 +/- 6.39   0.149% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.9:
    * O T HG2   PRO   58 - HD2   PRO   58   2.70 +/- 0.29  92.836% * 98.7160% (0.95  10.0 10.00   6.61 147.91) =  99.983%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.23 +/- 1.64   1.348% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HB2   PRO   93 - HD2   PRO   58  10.06 +/- 2.81   3.657% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   58  23.30 +/- 4.09   0.353% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  21.58 +/- 5.31   1.147% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  29.39 +/- 6.10   0.139% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  18.87 +/- 1.97   0.327% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  24.29 +/- 3.49   0.193% *  0.0195% (0.19   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 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 = 147.9:
    * O T HB2   PRO   58 - HA    PRO   58   2.60 +/- 0.20  96.492% * 99.2784% (1.00  10.0 10.00   6.26 147.91) =  99.991%  kept
        T HB2   GLN  116 - HA    PRO   58  11.03 +/- 1.29   1.463% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HB3   PHE   97 - HA    PRO   58  16.89 +/- 2.77   0.640% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  13.46 +/- 1.65   0.903% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  25.26 +/- 5.79   0.358% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  25.26 +/- 3.04   0.143% *  0.0445% (0.45   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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.8:
    * O T HB3   PRO   58 - HA    PRO   58   2.43 +/- 0.20  88.419% * 98.4544% (0.84  10.0 10.00   6.22 147.91) =  99.934%  kept
        T HB    ILE   56 - HA    PRO   58   7.12 +/- 1.37   5.550% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.063%
          HB2   MET   92 - HA    PRO   58  16.59 +/- 3.80   0.714% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58   9.49 +/- 2.29   3.419% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    PRO   58  19.11 +/- 3.84   0.372% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    PRO   58  17.03 +/- 2.45   0.335% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.80 +/- 3.55   0.121% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  20.17 +/- 3.59   0.232% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.63 +/- 3.67   0.236% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.36 +/- 3.49   0.183% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  18.17 +/- 2.87   0.289% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  27.17 +/- 6.02   0.130% *  0.0206% (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 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.9:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.02  80.446% * 98.7160% (1.00  10.0 10.00   5.98 147.91) =  99.969%  kept
        T HG3   PRO   52 - HA    PRO   58  14.49 +/- 1.66   1.898% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.024%
          HB2   PRO   93 - HA    PRO   58  10.80 +/- 3.21   9.469% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HA    PRO   58  20.74 +/- 3.56   1.089% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    PRO   58  20.20 +/- 5.12   4.625% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  16.36 +/- 1.72   1.310% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    PRO   58  26.77 +/- 5.73   0.445% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - HA    PRO   58  22.28 +/- 3.82   0.718% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 147.9:
    * O T HD2   PRO   58 - HA    PRO   58   3.85 +/- 0.09  88.135% * 98.5403% (0.95  10.0 10.00   6.70 147.91) =  99.988%  kept
        T HA    GLU- 100 - HA    PRO   58  24.51 +/- 3.02   0.420% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB2   CYS   53 - HA    PRO   58   9.56 +/- 1.97  10.283% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HA    PRO   58  22.89 +/- 3.70   0.691% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  22.95 +/- 2.79   0.472% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.9:
    * O T HA    PRO   58 - HB2   PRO   58   2.60 +/- 0.20  86.988% * 99.4356% (1.00  10.0 10.00   6.26 147.91) =  99.994%  kept
          HA    ILE   56 - HB2   PRO   58   6.45 +/- 1.23   7.988% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   46 - HB2   PRO   58  13.07 +/- 2.69   1.468% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   PRO   58  16.50 +/- 3.60   0.941% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   PRO   58  13.51 +/- 2.97   1.190% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  18.92 +/- 2.84   0.366% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  20.34 +/- 2.42   0.264% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.12 +/- 4.34   0.200% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  25.11 +/- 3.92   0.190% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.64 +/- 3.53   0.258% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  24.95 +/- 3.57   0.148% *  0.0248% (0.25   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 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 = 147.9:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  95.036% * 98.9371% (0.84  10.0 10.00   4.50 147.91) =  99.996%  kept
          HB    ILE   56 - HB2   PRO   58   7.04 +/- 1.69   2.587% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HB2   PRO   58  21.57 +/- 4.07   0.096% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.05 +/- 2.49   1.478% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.43 +/- 3.38   0.179% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  20.43 +/- 3.82   0.117% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  17.48 +/- 2.48   0.119% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.48 +/- 3.80   0.049% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  18.33 +/- 3.51   0.159% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  21.57 +/- 3.74   0.085% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.52 +/- 3.20   0.055% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  28.14 +/- 6.11   0.042% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 147.9:
    * O T HG2   PRO   58 - HB2   PRO   58   2.53 +/- 0.30  92.550% * 98.7160% (1.00  10.0 10.00   4.27 147.91) =  99.992%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.19 +/- 1.66   0.589% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - HB2   PRO   58  11.86 +/- 2.84   2.238% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HB2   PRO   58  21.64 +/- 5.59   3.677% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HB2   PRO   58  21.76 +/- 3.73   0.249% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.78 +/- 2.30   0.384% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  27.74 +/- 5.79   0.134% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.29 +/- 3.83   0.179% *  0.0195% (0.20   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 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 147.9:
    * O T HD2   PRO   58 - HB2   PRO   58   3.98 +/- 0.21  88.588% * 98.5403% (0.95  10.0 10.00   6.91 147.91) =  99.988%  kept
        T HA    GLU- 100 - HB2   PRO   58  25.32 +/- 3.48   0.459% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB2   CYS   53 - HB2   PRO   58  10.62 +/- 1.92   9.810% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB2   PRO   58  23.66 +/- 3.82   0.647% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  24.46 +/- 2.97   0.496% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.9:
    * O T HA    PRO   58 - HB3   PRO   58   2.43 +/- 0.20  90.361% * 99.1888% (0.84  10.0 10.00   6.22 147.91) =  99.980%  kept
        T HA    ILE   56 - HB3   PRO   58   6.57 +/- 1.30   5.864% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.018%
          HA    THR   46 - HB3   PRO   58  13.25 +/- 3.01   1.366% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  16.72 +/- 3.66   0.675% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  13.95 +/- 2.78   0.752% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  20.55 +/- 2.71   0.221% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  19.50 +/- 2.49   0.218% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.28 +/- 4.68   0.157% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  25.59 +/- 3.95   0.122% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  25.45 +/- 3.63   0.105% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.19 +/- 3.27   0.159% *  0.0153% (0.13   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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 147.9:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  98.870% * 99.1367% (0.84  10.0 10.00   4.50 147.91) =  99.999%  kept
        T HB3   PHE   97 - HB3   PRO   58  17.93 +/- 2.90   0.146% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HB3   PRO   58  10.59 +/- 1.49   0.549% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.16 +/- 1.96   0.298% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  26.83 +/- 6.34   0.100% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  26.51 +/- 3.34   0.036% *  0.0444% (0.37   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 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 = 147.9:
    * O T HG2   PRO   58 - HB3   PRO   58   2.73 +/- 0.31  92.140% * 97.0168% (0.84  10.0 10.00   4.23 147.91) =  99.983%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.08 +/- 2.02   0.718% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   GLU-  14 - HB3   PRO   58  21.89 +/- 4.14   0.527% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   MET   11 - HB3   PRO   58  27.90 +/- 6.06   0.164% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HB3   PRO   58  12.11 +/- 3.21   2.886% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HB3   PRO   58  21.88 +/- 5.63   2.796% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.19 +/- 2.14   0.494% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.61 +/- 4.10   0.274% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.29 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.08, residual support = 147.9:
    * O T HD2   PRO   58 - HB3   PRO   58   3.75 +/- 0.25  87.046% * 98.5403% (0.79  10.0 10.00   7.08 147.91) =  99.989%  kept
          HB2   CYS   53 - HB3   PRO   58  10.60 +/- 2.25  11.682% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLU- 100 - HB3   PRO   58  25.83 +/- 3.28   0.343% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB3   PRO   58  24.19 +/- 3.70   0.577% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   PRO   58  24.70 +/- 3.06   0.351% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 147.4:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  42.532% * 97.9061% (1.00  10.0 10.00   5.98 147.91) =  99.666%  kept
          HA    ILE   56 - HG2   PRO   58   4.60 +/- 1.73  37.981% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.293%  kept
        T HA    PRO   58 - HG3   PRO   52  14.49 +/- 1.66   1.030% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.020%
          HA    THR   46 - HG3   PRO   52   9.40 +/- 2.89   8.034% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.009%
          HA    THR   46 - HG2   PRO   58  12.85 +/- 2.34   1.657% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG2   PRO   58  13.72 +/- 2.56   1.516% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG3   PRO   52  10.90 +/- 1.01   2.501% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  17.85 +/- 3.43   0.853% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   PRO   58  19.66 +/- 2.45   0.430% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG3   PRO   52  25.58 +/- 5.30   0.888% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  21.61 +/- 2.45   0.330% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   52  32.01 +/- 7.20   0.340% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   52  28.88 +/- 4.93   0.295% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  25.44 +/- 4.67   0.235% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HG2   PRO   58  26.28 +/- 3.52   0.232% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  26.28 +/- 2.04   0.155% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  25.70 +/- 1.88   0.169% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.11 +/- 3.05   0.326% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  25.92 +/- 3.16   0.185% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.75 +/- 2.92   0.078% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.90 +/- 2.91   0.090% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  27.31 +/- 2.47   0.143% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.779, support = 4.7, residual support = 166.9:
    * O T HB2   PRO   58 - HG2   PRO   58   2.53 +/- 0.30  26.571% * 87.8577% (1.00  10.0 10.00   4.27 147.91) =  74.759%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  71.804% * 10.9746% (0.12  10.0 10.00   5.97 223.38) =  25.235%  kept
        T HB2   PRO   58 - HG3   PRO   52  15.19 +/- 1.66   0.129% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HG2   PRO   58   8.71 +/- 1.56   0.772% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  13.08 +/- 1.66   0.269% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   PRO   58  17.18 +/- 3.00   0.128% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.16 +/- 3.36   0.155% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.47 +/- 2.61   0.048% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  27.53 +/- 6.10   0.057% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.55 +/- 2.94   0.024% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.01 +/- 5.42   0.029% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.46 +/- 2.86   0.013% *  0.0319% (0.36   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 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.4:
    * O T HB3   PRO   58 - HG2   PRO   58   2.73 +/- 0.31  57.409% * 96.3560% (0.84  10.0 10.00   4.23 147.91) =  99.647%  kept
          HB    ILE   56 - HG2   PRO   58   5.23 +/- 2.07  23.887% *  0.7582% (0.84   1.0  1.00   0.16   0.02) =   0.326%  kept
          HB2   MET   92 - HG3   PRO   52   9.80 +/- 4.93   5.094% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.008%
        T HB3   PRO   58 - HG3   PRO   52  15.08 +/- 2.02   0.436% *  0.7801% (0.68   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+  81 - HG3   PRO   52  16.90 +/- 4.38   0.393% *  0.3505% (0.30   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HG2   PRO   58  21.90 +/- 4.16   0.263% *  0.4330% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HG3   PRO   52  10.72 +/- 1.15   1.123% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG2   PRO   58   9.23 +/- 1.98   4.545% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  16.60 +/- 3.39   0.607% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG3   PRO   52  13.11 +/- 4.79   1.930% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.61 +/- 0.92   2.229% *  0.0144% (0.12   1.0  1.00   0.02   1.92) =   0.001%
          HB3   GLN   30 - HG2   PRO   58  21.46 +/- 3.63   0.219% *  0.1154% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  29.62 +/- 6.16   0.077% *  0.2020% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  16.86 +/- 2.37   0.320% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  17.03 +/- 2.85   0.323% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.46 +/- 3.39   0.103% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  35.78 +/- 7.77   0.055% *  0.1636% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.80 +/- 3.78   0.084% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.88 +/- 3.29   0.365% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  22.06 +/- 3.01   0.136% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.63 +/- 3.43   0.163% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.39 +/- 2.60   0.039% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  22.34 +/- 3.12   0.137% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.90 +/- 3.33   0.063% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.18 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 = 0.943, support = 6.6, residual support = 147.5:
    * O T HD2   PRO   58 - HG2   PRO   58   2.70 +/- 0.29  85.995% * 92.8745% (0.95  10.0 10.00   6.61 147.91) =  99.515%  kept
          HB2   CYS   53 - HG3   PRO   52   6.70 +/- 0.64   6.356% *  5.9405% (0.28   1.0  1.00   4.38  55.84) =   0.470%  kept
        T HD2   PRO   58 - HG3   PRO   52  12.23 +/- 1.64   1.248% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.012%
          HB2   CYS   53 - HG2   PRO   58   9.88 +/- 1.87   5.364% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   PRO   52  19.46 +/- 4.00   0.447% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.61 +/- 3.11   0.191% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.90 +/- 2.97   0.120% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.52 +/- 2.57   0.070% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  24.64 +/- 3.38   0.145% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.24 +/- 2.80   0.066% *  0.0221% (0.23   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 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 = 3.3, residual support = 58.4:
    * O T HB2   PHE   59 - HA    PHE   59   2.57 +/- 0.17  92.482% * 99.6348% (1.00  10.0 10.00   3.30  58.44) =  99.994%  kept
          QB    PHE   55 - HA    PHE   59   9.67 +/- 0.75   1.914% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  11.26 +/- 2.42   1.860% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HA    PHE   59  11.36 +/- 1.62   1.646% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  12.78 +/- 2.41   1.300% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   59  13.58 +/- 2.26   0.797% *  0.0798% (0.80   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 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.4:
    * O T HB3   PHE   59 - HA    PHE   59   3.03 +/- 0.05  99.445% * 99.9552% (1.00  10.0 10.00   3.98  58.44) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  18.66 +/- 2.33   0.555% *  0.0448% (0.45   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 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.4:
    * O T HA    PHE   59 - HB2   PHE   59   2.57 +/- 0.17  96.061% * 99.8386% (1.00  10.0 10.00   3.30  58.44) =  99.998%  kept
          HA    ASP- 113 - HB2   PHE   59   8.56 +/- 1.62   3.294% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB2   PHE   59  22.43 +/- 2.34   0.172% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.07 +/- 2.82   0.317% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.35 +/- 2.76   0.156% *  0.0154% (0.15   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 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 = 58.4:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.892% * 99.9552% (1.00  10.0 10.00   3.44  58.44) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.14 +/- 2.09   0.108% *  0.0448% (0.45   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 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.4:
    * O T HA    PHE   59 - HB3   PHE   59   3.03 +/- 0.05  93.630% * 99.8386% (1.00  10.0 10.00   3.98  58.44) =  99.996%  kept
          HA    ASP- 113 - HB3   PHE   59   8.91 +/- 1.67   5.316% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   87 - HB3   PHE   59  21.19 +/- 2.35   0.310% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.63 +/- 2.63   0.489% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  22.96 +/- 2.85   0.255% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.4:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  96.220% * 99.6348% (1.00  10.0 10.00   3.44  58.44) =  99.997%  kept
          QB    PHE   55 - HB3   PHE   59   7.65 +/- 0.98   1.396% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59   9.39 +/- 1.41   0.797% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  11.44 +/- 2.23   0.500% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.31 +/- 2.02   0.750% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  12.92 +/- 2.12   0.338% *  0.0832% (0.84   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 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 = 72.6:
    * O T HB2   PHE   60 - HA    PHE   60   2.70 +/- 0.23  99.579% * 99.9010% (1.00  10.0 10.00   4.00  72.61) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  17.82 +/- 3.08   0.421% *  0.0990% (0.99   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 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.6:
    * O T HB3   PHE   60 - HA    PHE   60   2.78 +/- 0.31  96.357% * 99.7797% (1.00  10.0 10.00   4.00  72.61) =  99.998%  kept
          HB2   PHE   97 - HA    PHE   60  12.89 +/- 2.29   1.432% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    PHE   60  15.17 +/- 1.85   0.789% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  14.55 +/- 2.77   1.178% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  22.12 +/- 2.95   0.244% *  0.0249% (0.25   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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.6:
    * O T HA    PHE   60 - HB2   PHE   60   2.70 +/- 0.23  93.348% * 99.8400% (1.00  10.0 10.00   4.00  72.61) =  99.998%  kept
          QB    SER  117 - HB2   PHE   60  12.22 +/- 1.30   1.303% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   PHE   60  10.72 +/- 2.95   2.244% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  12.42 +/- 2.39   1.388% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   PHE   60  13.55 +/- 2.84   1.164% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.72 +/- 1.51   0.553% *  0.0278% (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 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 = 72.6:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.222% * 99.7797% (1.00  10.0 10.00   4.00  72.61) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  15.76 +/- 2.15   0.172% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  14.11 +/- 2.41   0.271% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.85 +/- 2.82   0.277% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  23.29 +/- 3.60   0.057% *  0.0249% (0.25   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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.6:
    * O T HA    PHE   60 - HB3   PHE   60   2.78 +/- 0.31  92.348% * 99.8400% (1.00  10.0 10.00   4.00  72.61) =  99.997%  kept
          QB    SER  117 - HB3   PHE   60  12.27 +/- 1.78   1.524% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  12.35 +/- 2.50   1.856% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   PHE   60  11.28 +/- 2.66   2.138% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB3   PHE   60  13.76 +/- 2.92   1.493% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.62 +/- 1.86   0.640% *  0.0278% (0.28   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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.6:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.885% * 99.9010% (1.00  10.0 10.00   4.00  72.61) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.86 +/- 3.03   0.115% *  0.0990% (0.99   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 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  71.529% * 98.4786% (1.00  10.0 10.00   2.21  17.90) =  99.978%  kept
          HB3   LYS+  74 - HA    ALA   61   7.67 +/- 3.04  19.712% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.008%
        T QB    ALA  110 - HA    ALA   61  14.21 +/- 2.94   0.469% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   73 - HA    ALA   61  10.74 +/- 2.58   2.800% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HA    ALA   61   8.02 +/- 1.05   1.623% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HA    ALA   61   8.60 +/- 1.51   1.363% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HA    ALA   61  12.09 +/- 3.37   0.619% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA   61  17.35 +/- 3.80   0.195% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  10.42 +/- 1.28   0.788% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  16.64 +/- 3.04   0.205% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  12.52 +/- 1.59   0.416% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.33 +/- 2.18   0.220% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.08 +/- 2.41   0.061% *  0.0518% (0.53   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 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  85.271% * 98.9510% (1.00  10.0 10.00   2.21  17.90) =  99.989%  kept
        T HA    ALA   61 - QB    ALA  110  14.21 +/- 2.94   0.530% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.005%
          HD3   PRO   58 - QB    ALA   61   6.01 +/- 0.80   4.669% *  0.0444% (0.45   1.0  1.00   0.02   0.88) =   0.002%
          HD3   PRO   58 - QB    ALA  110  11.20 +/- 3.89   5.623% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   68 - QB    ALA   61  10.43 +/- 1.04   0.796% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61   9.31 +/- 1.93   1.455% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  13.88 +/- 3.25   0.984% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  17.98 +/- 2.93   0.252% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.38 +/- 2.18   0.271% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  19.74 +/- 2.90   0.150% *  0.0163% (0.16   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 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   2.84 +/- 0.21  99.468% * 99.9434% (1.00  10.0 10.00   3.00  40.99) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.11 +/- 1.54   0.532% *  0.0566% (0.57   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 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   2.77 +/- 0.25  98.217% * 99.7306% (0.98  10.0 10.00   3.00  40.99) =  99.999%  kept
          HG3   MET   96 - HA    ASP-  62  17.13 +/- 2.85   0.831% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    ASP-  62  22.37 +/- 4.12   0.447% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  23.31 +/- 4.19   0.335% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  24.16 +/- 2.70   0.170% *  0.0658% (0.65   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 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   2.84 +/- 0.21  97.876% * 99.8236% (1.00  10.0 10.00   3.00  40.99) =  99.999%  kept
          HA    SER  117 - HB2   ASP-  62  12.54 +/- 1.44   1.429% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB2   ASP-  62  20.22 +/- 3.82   0.538% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB2   ASP-  62  25.55 +/- 2.58   0.157% *  0.0278% (0.28   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 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  99.462% * 99.7306% (0.98  10.0 10.00   3.00  40.99) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  16.68 +/- 3.12   0.338% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  23.58 +/- 4.36   0.102% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  24.42 +/- 3.84   0.055% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  24.34 +/- 2.81   0.043% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.77 +/- 0.25  97.470% * 99.8236% (0.98  10.0 10.00   3.00  40.99) =  99.998%  kept
          HA    SER  117 - HB3   ASP-  62  12.52 +/- 1.92   1.611% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB3   ASP-  62  20.46 +/- 3.77   0.766% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  25.53 +/- 2.55   0.153% *  0.0278% (0.27   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 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  99.855% * 99.4370% (0.98  10.0 10.00   3.00  40.99) =  99.999%  kept
        T HB2   PRO   52 - HB3   ASP-  62  16.08 +/- 1.74   0.145% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.001%
    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 = 242.5:
    * O T HB2   LEU   63 - HA    LEU   63   2.84 +/- 0.17  82.760% * 99.1997% (1.00  10.0 10.00   6.28 242.58) =  99.983%  kept
          HB3   ASP-  44 - HA    LEU   63   8.22 +/- 2.72   7.936% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   31 - HA    LEU   63  17.77 +/- 3.85   1.963% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LEU   63  14.71 +/- 4.37   1.399% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   63  13.72 +/- 2.13   1.008% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   63  12.29 +/- 2.41   1.361% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   63  19.77 +/- 3.70   0.443% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  17.75 +/- 2.68   0.476% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  16.91 +/- 4.37   0.644% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  17.28 +/- 2.32   0.475% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  18.22 +/- 2.49   0.390% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  16.04 +/- 4.13   0.824% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  19.98 +/- 2.81   0.321% *  0.0174% (0.18   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 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.5:
    * O T HB3   LEU   63 - HA    LEU   63   2.56 +/- 0.26  76.330% * 99.7424% (1.00  10.0 10.00   5.98 242.58) =  99.983%  kept
          QG1   VAL   70 - HA    LEU   63   5.75 +/- 1.71  14.869% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          QG1   VAL   18 - HA    LEU   63   8.97 +/- 3.57   3.630% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   63   9.58 +/- 2.39   3.250% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    LEU   63  10.69 +/- 1.60   1.434% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    LEU   63  15.23 +/- 2.51   0.488% *  0.0645% (0.65   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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HG    LEU   63 - HA    LEU   63   3.11 +/- 0.60  93.126% * 99.8120% (1.00  10.0 10.00   5.98 242.58) =  99.997%  kept
          QG2   VAL   24 - HA    LEU   63  16.43 +/- 3.34   1.401% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU   63  14.18 +/- 2.62   1.582% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    LEU   63  10.41 +/- 2.54   3.891% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.08 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.767, support = 5.7, residual support = 242.5:
        T QD2   LEU   63 - HA    LEU   63   2.64 +/- 0.64  60.244% * 35.7505% (0.57 10.00   5.79 242.58) =  53.560%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.62 +/- 0.46  29.549% * 63.1462% (1.00 10.00   5.60 242.58) =  46.401%  kept
        T QD1   LEU   73 - HA    LEU   63  11.55 +/- 1.58   1.323% *  0.6315% (1.00 10.00   0.02   0.02) =   0.021%
          QD2   LEU  115 - HA    LEU   63   7.81 +/- 1.63   7.052% *  0.0527% (0.84  1.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - HA    LEU   63  12.93 +/- 3.17   0.953% *  0.3575% (0.57 10.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - HA    LEU   63  16.08 +/- 3.26   0.486% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  16.60 +/- 3.16   0.393% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.906, support = 5.75, residual support = 242.5:
    *   T QD2   LEU   63 - HA    LEU   63   2.64 +/- 0.64  58.990% * 63.5438% (1.00 10.00   5.79 242.58) =  78.262%  kept
        T QD1   LEU   63 - HA    LEU   63   3.62 +/- 0.46  28.922% * 35.9756% (0.57 10.00   5.60 242.58) =  21.724%  kept
        T QD1   LEU   73 - HA    LEU   63  11.55 +/- 1.58   1.295% *  0.3598% (0.57 10.00   0.02   0.02) =   0.010%
          QD2   LEU  115 - HA    LEU   63   7.81 +/- 1.63   6.907% *  0.0158% (0.25  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HA    LEU   63  10.71 +/- 2.29   1.668% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  12.58 +/- 3.60   1.324% *  0.0261% (0.41  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HA    LEU   63  17.02 +/- 3.67   0.417% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.08 +/- 3.26   0.476% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.6:
    * O T HA    LEU   63 - HB2   LEU   63   2.84 +/- 0.17  98.999% * 99.2046% (1.00  10.0 10.00   6.28 242.58) =  99.995%  kept
        T HB2   HIS   22 - HB2   LEU   63  17.81 +/- 3.04   0.682% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          HA2   GLY  101 - HB2   LEU   63  20.70 +/- 3.33   0.320% *  0.0372% (0.38   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 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 = 242.5:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  80.831% * 99.7424% (1.00  10.0 10.00   6.31 242.58) =  99.987%  kept
          QG1   VAL   70 - HB2   LEU   63   6.35 +/- 2.23  15.393% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          QG1   VAL   18 - HB2   LEU   63   8.35 +/- 3.56   1.733% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU   63  10.75 +/- 1.98   1.271% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63  10.14 +/- 2.01   0.584% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  14.10 +/- 2.05   0.189% *  0.0645% (0.65   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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HG    LEU   63 - HB2   LEU   63   2.56 +/- 0.26  93.069% * 99.8120% (1.00  10.0 10.00   6.31 242.58) =  99.995%  kept
          QG2   VAL   24 - HB2   LEU   63  15.21 +/- 3.52   3.103% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HB2   LEU   63  12.96 +/- 2.66   1.243% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63   9.65 +/- 1.92   2.585% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.000%
    Distance limit 3.12 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 = 0.885, support = 6.15, residual support = 242.0:
    * O T QD1   LEU   63 - HB2   LEU   63   2.45 +/- 0.31  56.770% * 57.3199% (1.00  10.0 10.00   6.13 242.58) =  73.210%  kept
      O T QD2   LEU   63 - HB2   LEU   63   2.97 +/- 0.35  36.366% * 32.4519% (0.57  10.0 10.00   6.28 242.58) =  26.551%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.41 +/- 1.66   1.046% *  9.7998% (1.00   1.0 10.00   0.34   0.02) =   0.231%  kept
          QD2   LEU  115 - HB2   LEU   63   7.02 +/- 1.34   4.419% *  0.0479% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T QD1   LEU  104 - HB2   LEU   63  13.05 +/- 2.47   0.443% *  0.3245% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   LEU   63  14.96 +/- 3.53   0.610% *  0.0459% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU   63  15.45 +/- 3.27   0.346% *  0.0100% (0.18   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 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 6.2, residual support = 242.2:
    * O T QD2   LEU   63 - HB2   LEU   63   2.97 +/- 0.35  35.862% * 60.0655% (1.00  10.0 10.00   6.28 242.58) =  53.004%  kept
      O T QD1   LEU   63 - HB2   LEU   63   2.45 +/- 0.31  55.983% * 34.0063% (0.57  10.0 10.00   6.13 242.58) =  46.845%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.41 +/- 1.66   1.032% *  5.8140% (0.57   1.0 10.00   0.34   0.02) =   0.148%  kept
          QD2   LEU  115 - HB2   LEU   63   7.02 +/- 1.34   4.358% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HB2   LEU   63  10.30 +/- 1.71   0.963% *  0.0364% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.27 +/- 3.14   0.705% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.88 +/- 3.99   0.496% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.96 +/- 3.53   0.601% *  0.0134% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HA    LEU   63 - HB3   LEU   63   2.56 +/- 0.26  99.328% * 99.8862% (1.00  10.0 10.00   5.98 242.58) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  18.10 +/- 2.92   0.396% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  19.93 +/- 3.76   0.276% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.5:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  87.564% * 99.1997% (1.00  10.0 10.00   6.31 242.58) =  99.987%  kept
          HB3   ASP-  44 - HB3   LEU   63   6.84 +/- 3.29   9.214% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          HB2   LEU   31 - HB3   LEU   63  16.51 +/- 3.74   1.174% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HB3   LEU   63  11.25 +/- 2.61   0.478% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  13.72 +/- 3.96   0.337% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  14.52 +/- 2.53   0.214% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.48 +/- 4.07   0.128% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  16.20 +/- 2.72   0.167% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.12 +/- 2.46   0.126% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  16.37 +/- 3.80   0.148% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  17.81 +/- 2.29   0.106% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  14.93 +/- 3.64   0.227% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  18.84 +/- 3.10   0.118% *  0.0174% (0.18   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 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 = 242.6:
    * O T HG    LEU   63 - HB3   LEU   63   2.87 +/- 0.16  92.616% * 99.8120% (1.00  10.0 10.00   6.00 242.58) =  99.996%  kept
          QG2   VAL   24 - HB3   LEU   63  15.24 +/- 3.15   2.175% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HB3   LEU   63  13.72 +/- 2.81   1.299% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB3   LEU   63   9.72 +/- 2.24   3.910% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.001%
    Distance limit 3.08 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 = 0.847, support = 5.87, residual support = 241.8:
    * O T QD1   LEU   63 - HB3   LEU   63   2.44 +/- 0.38  48.781% * 51.7577% (1.00  10.0 10.00   5.84 242.58) =  64.381%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.51 +/- 0.41  47.222% * 29.3028% (0.57  10.0 10.00   5.98 242.58) =  35.285%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.47 +/- 1.50   0.693% * 18.5527% (1.00   1.0 10.00   0.72   0.02) =   0.328%  kept
        T QD1   LEU  104 - HB3   LEU   63  12.48 +/- 2.74   0.420% *  0.2930% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LEU   63   7.70 +/- 1.55   2.144% *  0.0432% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU   63  15.05 +/- 3.58   0.445% *  0.0414% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  15.42 +/- 3.54   0.295% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.839, support = 5.92, residual support = 242.1:
    * O T QD2   LEU   63 - HB3   LEU   63   2.51 +/- 0.41  46.645% * 56.4654% (1.00  10.0 10.00   5.98 242.58) =  62.978%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.44 +/- 0.38  48.185% * 31.9681% (0.57  10.0 10.00   5.84 242.58) =  36.832%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.47 +/- 1.50   0.684% * 11.4591% (0.57   1.0 10.00   0.72   0.02) =   0.188%  kept
          QD2   LEU  115 - HB3   LEU   63   7.70 +/- 1.55   2.118% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   63   9.77 +/- 1.71   0.836% *  0.0342% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   63  11.70 +/- 3.40   0.646% *  0.0232% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.00 +/- 4.08   0.447% *  0.0232% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.05 +/- 3.58   0.440% *  0.0126% (0.22   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 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HA    LEU   63 - HG    LEU   63   3.11 +/- 0.60  98.403% * 99.8862% (1.00  10.0 10.00   5.98 242.58) =  99.999%  kept
          HB2   HIS   22 - HG    LEU   63  18.91 +/- 3.50   1.099% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HG    LEU   63  20.56 +/- 3.31   0.498% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.56 +/- 0.26  81.349% * 99.1997% (1.00  10.0 10.00   6.31 242.58) =  99.981%  kept
          HB3   ASP-  44 - HG    LEU   63   7.36 +/- 2.67   7.615% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   31 - HG    LEU   63  17.31 +/- 4.08   4.551% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HG    LEU   63  10.75 +/- 2.82   2.123% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HG    LEU   63  14.32 +/- 2.29   0.673% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  14.36 +/- 3.42   0.691% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   63  18.97 +/- 4.46   0.456% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG    LEU   63  16.20 +/- 3.00   0.532% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   63  16.43 +/- 2.86   0.449% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.99 +/- 3.36   0.379% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  18.61 +/- 2.76   0.363% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  14.98 +/- 3.10   0.558% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  19.05 +/- 2.98   0.262% *  0.0174% (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 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.5:
    * O T HB3   LEU   63 - HG    LEU   63   2.87 +/- 0.16  67.773% * 99.7424% (1.00  10.0 10.00   6.00 242.58) =  99.974%  kept
          QG1   VAL   70 - HG    LEU   63   6.19 +/- 1.92  19.033% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.016%
          QG1   VAL   18 - HG    LEU   63   9.14 +/- 3.18   5.227% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HG    LEU   63  10.96 +/- 2.02   4.296% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HG    LEU   63   9.78 +/- 2.39   2.867% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HG    LEU   63  13.96 +/- 2.45   0.803% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 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 = 5.65, residual support = 242.5:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  46.086% * 63.0834% (1.00  10.0 10.00   5.58 242.58) =  63.630%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  46.501% * 35.7149% (0.57  10.0 10.00   5.77 242.58) =  36.349%  kept
        T QD1   LEU   73 - HG    LEU   63  11.02 +/- 1.99   0.830% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.011%
          QD2   LEU  115 - HG    LEU   63   6.75 +/- 2.03   5.460% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.006%
        T QD1   LEU  104 - HG    LEU   63  12.70 +/- 2.53   0.291% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HG    LEU   63  15.51 +/- 4.11   0.621% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   83 - HG    LEU   63  15.89 +/- 3.54   0.210% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.7, residual support = 242.6:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  46.150% * 63.5438% (1.00  10.0 10.00   5.77 242.58) =  64.051%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  45.738% * 35.9756% (0.57  10.0 10.00   5.58 242.58) =  35.939%  kept
        T QD1   LEU   73 - HG    LEU   63  11.02 +/- 1.99   0.824% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HG    LEU   63   6.75 +/- 2.03   5.419% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HG    LEU   63  10.65 +/- 1.61   0.462% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.48 +/- 4.32   0.439% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.29 +/- 2.86   0.352% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.51 +/- 4.11   0.616% *  0.0141% (0.22   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 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.58, residual support = 241.4:
    *   T HA    LEU   63 - QD1   LEU   63   3.62 +/- 0.46  69.209% * 94.1230% (1.00 10.00   5.60 242.58) =  99.516%  kept
          HB2   HIS   22 - QD1   LEU   73   9.15 +/- 2.35   6.054% *  4.5365% (0.76  1.00   1.26   0.02) =   0.420%  kept
        T HA    LEU   63 - QD1   LEU   73  11.55 +/- 1.58   3.456% *  0.9412% (1.00 10.00   0.02   0.02) =   0.050%
        T HA    LEU   63 - QD1   LEU  104  12.93 +/- 3.17   2.411% *  0.2304% (0.24 10.00   0.02   0.02) =   0.008%
          HB2   HIS   22 - QD1   LEU   63  15.30 +/- 3.11   1.972% *  0.0719% (0.76  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU  104   7.25 +/- 1.14  11.212% *  0.0086% (0.09  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   73  14.78 +/- 2.77   1.562% *  0.0353% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU  104  19.70 +/- 4.81   3.106% *  0.0176% (0.19  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   63  16.46 +/- 3.19   1.018% *  0.0353% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.994, support = 6.02, residual support = 237.7:
    * O T HB2   LEU   63 - QD1   LEU   63   2.45 +/- 0.31  37.652% * 74.5760% (1.00  10.0 10.00   6.13 242.58) =  97.959%  kept
          HB2   LEU   31 - QD1   LEU   63  13.60 +/- 3.79   8.775% *  2.5851% (0.90   1.0  1.00   0.77   0.02) =   0.791%  kept
          HB2   LEU   31 - QD1   LEU   73   8.07 +/- 3.55   2.088% *  6.2729% (0.90   1.0  1.00   1.88   1.44) =   0.457%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.24 +/- 0.75  11.719% *  0.9500% (0.14   1.0  1.00   1.84  18.67) =   0.388%  kept
        T HB2   LEU   63 - QD1   LEU   73  10.41 +/- 1.66   0.678% * 12.7501% (1.00   1.0 10.00   0.34   0.02) =   0.302%  kept
          HB3   ASP-  44 - QD1   LEU   63   5.41 +/- 2.78  15.985% *  0.0731% (0.98   1.0  1.00   0.02   0.02) =   0.041%
        T HB3   LEU   80 - QD1   LEU   73  12.28 +/- 3.63   0.728% *  0.7310% (0.98   1.0 10.00   0.02   0.02) =   0.019%
        T HB3   LEU   80 - QD1   LEU   63  15.30 +/- 4.15   0.408% *  0.7310% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HB3   ASP-  44 - QD1   LEU   73   8.25 +/- 2.19   3.516% *  0.0731% (0.98   1.0  1.00   0.02   4.58) =   0.009%
          HG    LEU   98 - QD1   LEU   73  10.29 +/- 2.51   1.561% *  0.0597% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD1   LEU   63   8.36 +/- 2.33   1.853% *  0.0482% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD1   LEU   73  12.38 +/- 3.30   1.361% *  0.0482% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   63 - QD1   LEU  104  13.05 +/- 2.47   0.336% *  0.1825% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU   63  11.21 +/- 3.16   0.968% *  0.0597% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU  104   6.34 +/- 0.95   2.559% *  0.0146% (0.20   1.0  1.00   0.02  10.15) =   0.001%
          QB    ALA  124 - QD1   LEU   63  12.30 +/- 2.32   0.493% *  0.0669% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.01 +/- 2.70   0.499% *  0.0623% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  11.79 +/- 2.01   0.464% *  0.0512% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU  104  12.96 +/- 3.36   1.417% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  19.72 +/- 4.27   0.127% *  0.1789% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  13.19 +/- 2.57   0.423% *  0.0512% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   63  13.63 +/- 3.21   0.407% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   73  13.79 +/- 1.63   0.289% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.07 +/- 3.60   0.166% *  0.0623% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.31 +/- 5.54   0.608% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.83 +/- 2.54   0.120% *  0.0669% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  11.48 +/- 2.97   0.666% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  14.20 +/- 1.45   0.227% *  0.0334% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.23 +/- 2.36   0.216% *  0.0334% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.06 +/- 1.67   0.373% *  0.0179% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  11.61 +/- 2.25   0.568% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.29 +/- 2.68   0.362% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  14.61 +/- 2.80   0.313% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   8.04 +/- 0.53   1.199% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.32 +/- 3.26   0.199% *  0.0152% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  15.23 +/- 2.56   0.229% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.57 +/- 1.26   0.181% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.37 +/- 2.26   0.139% *  0.0125% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  17.81 +/- 2.77   0.128% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 5.77, residual support = 239.3:
    * O T HB3   LEU   63 - QD1   LEU   63   2.44 +/- 0.38  46.546% * 70.3800% (1.00  10.0 10.00   5.84 242.58) =  98.659%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.47 +/- 1.50   0.898% * 25.2279% (1.00   1.0 10.00   0.72   0.02) =   0.682%  kept
          QG1   VAL   18 - QD1   LEU   73   7.06 +/- 3.81   4.813% *  3.5124% (0.69   1.0  1.00   1.45   0.23) =   0.509%  kept
          QD1   LEU   71 - QD1   LEU   63   9.04 +/- 2.01  10.511% *  0.3718% (0.34   1.0  1.00   0.31   0.02) =   0.118%  kept
          QG1   VAL   70 - QD1   LEU   63   5.30 +/- 1.43   8.687% *  0.0398% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   18 - QD1   LEU   63   7.49 +/- 2.63   6.329% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.009%
        T HB3   LEU   63 - QD1   LEU  104  12.48 +/- 2.74   0.517% *  0.1723% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   73   8.26 +/- 1.09   2.209% *  0.0240% (0.34   1.0  1.00   0.02   1.05) =   0.002%
          QD1   LEU   71 - QD1   LEU  104  10.12 +/- 3.43   8.804% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   8.49 +/- 2.07   2.061% *  0.0240% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.98 +/- 0.87   1.140% *  0.0398% (0.57   1.0  1.00   0.02   0.71) =   0.001%
          QG1   VAL  108 - QD1   LEU   63  10.89 +/- 2.18   0.798% *  0.0455% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   8.78 +/- 3.29   2.843% *  0.0098% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  13.56 +/- 2.53   0.487% *  0.0455% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  12.73 +/- 2.58   1.263% *  0.0118% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.67 +/- 2.55   0.580% *  0.0240% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  11.36 +/- 4.22   1.107% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.40 +/- 0.54   0.407% *  0.0111% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.997, support = 5.51, residual support = 238.6:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  68.946% * 88.4709% (1.00  10.0 10.00   5.58 242.58) =  98.343%  kept
          QG2   VAL   24 - QD1   LEU   73   6.14 +/- 3.47  14.096% *  5.8424% (0.97   1.0  1.00   1.37   2.64) =   1.328%  kept
        T QG1   VAL  107 - QD1   LEU   63   7.05 +/- 2.41   4.479% *  4.1574% (0.15   1.0 10.00   0.61   0.14) =   0.300%  kept
        T HG    LEU   63 - QD1   LEU   73  11.02 +/- 1.99   1.253% *  0.8847% (1.00   1.0 10.00   0.02   0.02) =   0.018%
        T QG1   VAL  107 - QD1   LEU   73  11.24 +/- 2.74   1.585% *  0.1365% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - QD1   LEU   63  12.45 +/- 2.95   1.528% *  0.0854% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  12.70 +/- 2.53   0.437% *  0.2166% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD1   LEU   63  10.33 +/- 2.60   1.359% *  0.0676% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - QD1   LEU  104  14.01 +/- 3.95   4.042% *  0.0209% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   7.88 +/- 0.98   1.575% *  0.0334% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  16.34 +/- 4.62   0.547% *  0.0676% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU  104  16.73 +/- 1.58   0.154% *  0.0165% (0.19   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 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 = 5.79, residual support = 242.6:
    *   T HA    LEU   63 - QD2   LEU   63   2.64 +/- 0.64  98.203% * 99.8862% (1.00 10.00   5.79 242.58) =  99.999%  kept
          HB2   HIS   22 - QD2   LEU   63  16.02 +/- 2.69   1.056% *  0.0763% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD2   LEU   63  16.20 +/- 3.16   0.742% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.18 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.27, residual support = 242.4:
    * O T HB2   LEU   63 - QD2   LEU   63   2.97 +/- 0.35  57.546% * 98.3391% (1.00  10.0 10.00   6.28 242.58) =  99.915%  kept
          HB3   ASP-  44 - QD2   LEU   63   6.51 +/- 2.24  15.876% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.027%
        T HB3   LEU   80 - QD2   LEU   63  15.81 +/- 3.91   1.454% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.025%
          HB2   LEU   31 - QD2   LEU   63  13.95 +/- 3.38  12.081% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.019%
          HG    LEU   98 - QD2   LEU   63  11.17 +/- 2.96   2.348% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - QD2   LEU   63  11.66 +/- 2.60   1.837% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD2   LEU   63   9.62 +/- 2.44   2.538% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   84 - QD2   LEU   63  13.86 +/- 2.55   1.302% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD2   LEU   63  13.84 +/- 2.72   1.051% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD2   LEU   63  13.08 +/- 3.34   1.143% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  14.51 +/- 2.29   0.617% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63  12.03 +/- 2.93   1.491% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  15.98 +/- 2.58   0.715% *  0.0172% (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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.5:
    * O T HB3   LEU   63 - QD2   LEU   63   2.51 +/- 0.41  55.850% * 99.7424% (1.00  10.0 10.00   5.98 242.58) =  99.959%  kept
          QG1   VAL   70 - QD2   LEU   63   4.38 +/- 1.70  27.150% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.028%
          QG1   VAL   18 - QD2   LEU   63   7.81 +/- 2.85   4.299% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD2   LEU   63   8.57 +/- 1.88   6.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QD2   LEU   63   8.04 +/- 2.45   5.855% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - QD2   LEU   63  11.77 +/- 2.19   0.846% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.77, residual support = 242.3:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  93.879% * 97.5573% (1.00  10.0 10.00   5.77 242.58) =  99.905%  kept
        T QG1   VAL  107 - QD2   LEU   63   7.67 +/- 2.29   3.754% *  2.2740% (0.15   1.0 10.00   0.30   0.14) =   0.093%
          HG3   LYS+ 112 - QD2   LEU   63  11.36 +/- 2.71   1.455% *  0.0746% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - QD2   LEU   63  13.14 +/- 2.53   0.912% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.70 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  99.645% * 99.9825% (1.00  10.0 10.00   2.00  20.66) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  14.59 +/- 1.62   0.355% *  0.0175% (0.18   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 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.936, support = 2.13, residual support = 23.4:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  76.392% * 72.6945% (1.00  10.0 10.00   2.00  20.66) =  89.717%  kept
        T HB2   PHE   72 - QB    ALA   64   4.37 +/- 1.15  23.328% * 27.2831% (0.38   1.0 10.00   3.28  47.11) =  10.282%  kept
          HB3   ASN   35 - QB    ALA   64  14.72 +/- 1.88   0.280% *  0.0224% (0.31   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 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 = 6.55, residual support = 156.8:
    * O T QB    LYS+  65 - HA    LYS+  65   2.36 +/- 0.16  76.469% * 86.0624% (0.92  10.0 10.00   6.57 158.63) =  98.594%  kept
          QB    LYS+  66 - HA    LYS+  65   5.31 +/- 0.20   6.925% * 13.4476% (0.52   1.0  1.00   5.52  30.94) =   1.395%  kept
          HB3   GLN   17 - HA    LYS+  65  10.29 +/- 5.21   4.091% *  0.0522% (0.56   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HA    LYS+  65  10.83 +/- 2.61   2.344% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - HA    LYS+  65  16.91 +/- 3.62   1.227% *  0.0719% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  65  13.39 +/- 3.67   2.440% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HA    LYS+ 121  14.28 +/- 2.14   0.610% *  0.0971% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LYS+  65  20.14 +/- 3.34   0.178% *  0.0844% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  18.00 +/- 3.25   0.289% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  16.67 +/- 4.59   0.638% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  12.49 +/- 3.34   1.090% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  17.18 +/- 6.63   1.947% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  19.40 +/- 4.95   0.715% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  18.16 +/- 6.72   0.431% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.28 +/- 4.42   0.430% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.71 +/- 1.62   0.175% *  0.0081% (0.09   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 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.826, support = 5.62, residual support = 163.2:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.06 +/- 0.76  29.936% * 53.0514% (0.92  10.0 10.00   5.38 158.63) =  83.112%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.30 +/- 0.97   3.766% * 38.5232% (0.67   1.0 10.00   5.53  30.94) =   7.593%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.47 +/- 0.63  20.993% *  5.9339% (0.10   1.0 10.00   7.67 312.99) =   6.519%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.65 +/- 0.19  35.150% *  1.4928% (0.03  10.0 10.00   8.22 312.99) =   2.746%  kept
        T HD3   LYS+  74 - HA    LYS+  65   8.59 +/- 2.97   3.413% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.015%
        T HD2   LYS+ 121 - HA    LYS+  65  16.14 +/- 2.67   0.219% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - HA    LYS+  65   8.89 +/- 1.95   1.282% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 121 - HA    LYS+  65  15.66 +/- 2.25   0.223% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  65  11.93 +/- 2.69   1.858% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  65  13.29 +/- 2.06   0.386% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  13.52 +/- 3.64   0.398% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  17.08 +/- 2.57   0.192% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  65  18.83 +/- 3.63   0.186% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.00 +/- 4.42   0.363% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  19.78 +/- 2.92   0.101% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  14.59 +/- 7.24   0.584% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  13.69 +/- 4.87   0.595% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.53 +/- 2.11   0.082% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  19.77 +/- 2.28   0.095% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.11 +/- 2.08   0.177% *  0.0010% (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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.912, support = 5.29, residual support = 160.4:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.03 +/- 0.52  50.684% * 94.0974% (0.92  10.0 10.00   5.27 158.63) =  98.769%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   3.98 +/- 0.63  27.510% *  2.1015% (0.02   1.0 10.00   6.68 312.99) =   1.197%  kept
        T HG3   LYS+  33 - HA    LYS+  65  16.22 +/- 3.37   0.442% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 106 - HA    LYS+  65  19.54 +/- 3.08   0.242% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HA    LYS+  65  10.78 +/- 2.20   1.744% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    LYS+  65  23.51 +/- 3.62   0.134% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  65  11.38 +/- 1.66   1.225% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+  65   9.28 +/- 2.02   5.104% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.01 +/- 2.94   0.454% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    LYS+ 121  16.57 +/- 5.94   0.757% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  15.91 +/- 3.37   0.746% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  21.24 +/- 7.80   0.439% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 121  21.50 +/- 5.31   0.411% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  17.12 +/- 2.43   0.337% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  18.09 +/- 2.40   0.400% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LYS+  65  15.37 +/- 2.64   1.083% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  14.81 +/- 2.93   0.696% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+ 121  22.37 +/- 5.36   2.207% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  12.70 +/- 3.63   1.401% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  16.28 +/- 3.92   0.711% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  17.40 +/- 2.19   0.382% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.75 +/- 1.02   0.463% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.12 +/- 3.23   0.380% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  15.58 +/- 5.16   0.817% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  17.58 +/- 5.78   0.557% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.68 +/- 1.39   0.304% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  19.69 +/- 2.87   0.252% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  23.41 +/- 2.33   0.119% *  0.0030% (0.03   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 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.816, support = 5.16, residual support = 176.3:
    *   T QD    LYS+  65 - HA    LYS+  65   3.28 +/- 0.59  35.964% * 84.0946% (0.92   1.0 10.00   4.75 158.63) =  87.018%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.07  44.855% *  9.4691% (0.10  10.0 10.00   8.30 312.99) =  12.221%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.38 +/- 0.47   7.736% *  3.2372% (0.04   1.0 10.00   2.28   4.39) =   0.721%  kept
        T QD    LYS+  38 - HA    LYS+  65  16.69 +/- 3.85   0.540% *  0.7763% (0.85   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   LYS+ 121 - HA    LYS+  65  15.13 +/- 2.16   0.440% *  0.8391% (0.92   1.0 10.00   0.02   0.02) =   0.011%
          HD2   LYS+  74 - HA    LYS+  65   8.41 +/- 2.41   3.733% *  0.0476% (0.52   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU  123 - HA    LYS+  65  16.98 +/- 2.49   0.320% *  0.2869% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HA    LYS+  65  20.97 +/- 3.66   0.181% *  0.4761% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 121  17.79 +/- 5.83   0.894% *  0.0876% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    LYS+  65  10.87 +/- 2.00   1.908% *  0.0234% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 121  15.65 +/- 2.71   0.435% *  0.0949% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  16.94 +/- 3.14   0.932% *  0.0316% (0.35   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  22.96 +/- 2.57   0.110% *  0.2097% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  19.04 +/- 6.51   0.407% *  0.0537% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  22.33 +/- 2.42   0.118% *  0.1298% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.75 +/- 2.28   0.164% *  0.0834% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.94 +/- 2.83   0.238% *  0.0237% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  17.90 +/- 2.32   0.223% *  0.0146% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  15.21 +/- 1.63   0.388% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.56 +/- 2.39   0.180% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  27.41 +/- 4.01   0.065% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.40 +/- 1.61   0.170% *  0.0036% (0.04   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 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 158.5:
    *   T QE    LYS+  65 - HA    LYS+  65   4.33 +/- 0.61  74.769% * 97.2340% (0.92 10.00   4.88 158.63) =  99.919%  kept
        T QE    LYS+  33 - HA    LYS+  65  14.96 +/- 3.28   3.805% *  0.8720% (0.83 10.00   0.02   0.02) =   0.046%
        T HB2   ASN   28 - HA    LYS+  65  19.53 +/- 3.29   1.181% *  0.9384% (0.89 10.00   0.02   0.02) =   0.015%
        T HB2   ASN   35 - HA    LYS+  65  20.24 +/- 3.82   1.161% *  0.5898% (0.56 10.00   0.02   0.02) =   0.009%
        T QE    LYS+  65 - HA    LYS+ 121  15.99 +/- 3.20   3.154% *  0.1097% (0.10 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  33 - HA    LYS+ 121  20.17 +/- 4.86   1.667% *  0.0984% (0.09 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HA    LYS+ 121  26.09 +/- 6.20   9.121% *  0.0106% (0.10  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    LYS+  65  17.04 +/- 3.07   2.424% *  0.0365% (0.35  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    LYS+  65  22.57 +/- 3.06   0.779% *  0.0898% (0.85  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    LYS+ 121  23.28 +/- 5.78   0.936% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  28.49 +/- 4.66   0.337% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  26.27 +/- 3.52   0.667% *  0.0041% (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 = 6.56, residual support = 158.6:
    * O T HA    LYS+  65 - QB    LYS+  65   2.36 +/- 0.16  93.440% * 98.7802% (0.92  10.0 10.00   6.57 158.63) =  99.991%  kept
        T HA    LYS+ 121 - QB    LYS+  65  14.28 +/- 2.14   0.746% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - QB    LYS+  65  12.04 +/- 4.02   1.842% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QB    LYS+  65  13.28 +/- 1.93   0.710% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QB    LYS+  65  15.73 +/- 3.31   0.547% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  14.64 +/- 2.40   0.495% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  13.86 +/- 1.71   0.780% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  16.21 +/- 2.83   0.392% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  20.36 +/- 1.98   0.158% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  16.17 +/- 2.06   0.346% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  18.67 +/- 3.81   0.401% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  21.56 +/- 2.89   0.142% *  0.0187% (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 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 = 0.965, support = 5.79, residual support = 142.5:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.35 +/- 0.15  70.796% * 57.5064% (1.00  10.0 10.00   5.84 158.63) =  87.383%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.07 +/- 1.09  14.059% * 41.7582% (0.73   1.0 10.00   5.46  30.94) =  12.601%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.56 +/- 2.60   0.817% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.010%
          HB2   LYS+  74 - QB    LYS+  65   8.79 +/- 1.64   2.371% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - QB    LYS+  65  11.40 +/- 3.09   5.354% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  65   8.09 +/- 2.64   4.745% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  65  12.91 +/- 1.82   0.548% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  65  13.16 +/- 2.34   0.732% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.16 +/- 3.77   0.371% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.23 +/- 1.91   0.207% *  0.0101% (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 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.32, residual support = 158.6:
    * O T QD    LYS+  65 - QB    LYS+  65   2.18 +/- 0.12  89.341% * 97.4795% (1.00  10.0 10.00   5.32 158.63) =  99.981%  kept
        T QD    LYS+  38 - QB    LYS+  65  15.95 +/- 3.70   0.766% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   PRO   93 - QB    LYS+  65  14.20 +/- 2.78   0.885% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HD2   LYS+  74 - QB    LYS+  65   8.17 +/- 2.19   3.501% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QB    LYS+  65  19.33 +/- 3.65   0.275% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - QB    LYS+  65  12.62 +/- 2.23   1.289% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   8.58 +/- 1.76   2.929% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  65  19.32 +/- 2.37   0.158% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  18.76 +/- 2.16   0.167% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  18.20 +/- 2.25   0.187% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.04 +/- 2.28   0.503% *  0.0333% (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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 158.6:
    *   T QE    LYS+  65 - QB    LYS+  65   3.28 +/- 0.53  92.004% * 98.8300% (1.00 10.00   5.45 158.63) =  99.967%  kept
        T QE    LYS+  33 - QB    LYS+  65  14.63 +/- 2.97   3.012% *  0.8863% (0.90 10.00   0.02   0.02) =   0.029%
          HB2   ASN   28 - QB    LYS+  65  18.57 +/- 3.52   1.556% *  0.0954% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - QB    LYS+  65  19.39 +/- 3.84   1.318% *  0.0599% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QB    LYS+  65  15.38 +/- 3.10   1.567% *  0.0371% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  65  20.60 +/- 2.58   0.543% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
    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 = 5.38, residual support = 158.6:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.06 +/- 0.76  89.366% * 97.8884% (0.92  10.0 10.00   5.38 158.63) =  99.974%  kept
        T HA    ALA  120 - HG2   LYS+  65  16.06 +/- 2.37   1.132% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HA    LYS+ 121 - HG2   LYS+  65  17.08 +/- 2.57   1.083% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - HG2   LYS+  65  13.46 +/- 4.87   1.568% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG2   LYS+  65  17.91 +/- 3.76   1.480% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG2   LYS+  65  17.39 +/- 2.46   0.952% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG2   LYS+  65  18.80 +/- 3.12   0.933% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  23.11 +/- 1.97   0.315% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  20.79 +/- 4.64   1.244% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.74 +/- 1.91   0.964% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  18.82 +/- 2.21   0.654% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  24.75 +/- 3.00   0.307% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.963, support = 5.72, residual support = 147.8:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.35 +/- 0.15  75.244% * 63.6862% (1.00  10.0 10.00   5.84 158.63) =  91.502%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.76 +/- 1.35  12.331% * 36.0562% (0.57   1.0 10.00   4.43  30.94) =   8.489%  kept
          HB2   LEU   71 - HG2   LYS+  65  12.51 +/- 3.13   2.491% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HG2   LYS+  65  11.42 +/- 5.07   3.519% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HG2   LYS+  65  14.66 +/- 4.79   5.371% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HG2   LYS+  65  17.03 +/- 3.01   0.489% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.45 +/- 4.32   0.173% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  19.33 +/- 4.39   0.383% *  0.0159% (0.25   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 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 = 4.52, residual support = 158.5:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.38 +/- 0.13  90.138% * 96.4735% (1.00  10.0 10.00   4.52 158.63) =  99.948%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   9.47 +/- 3.04   4.771% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.030%
        T QD    LYS+  38 - HG2   LYS+  65  17.96 +/- 4.57   1.087% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   LYS+ 121 - HG2   LYS+  65  15.27 +/- 2.63   0.688% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 102 - HG2   LYS+  65  22.30 +/- 4.50   0.216% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  65  10.42 +/- 1.98   1.768% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.97 +/- 2.57   0.122% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.36 +/- 2.44   0.131% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.08 +/- 2.59   0.488% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  20.68 +/- 2.61   0.162% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  16.84 +/- 2.82   0.428% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 158.6:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.61 +/- 0.44  96.691% * 98.8300% (1.00  10.0 10.00   4.54 158.63) =  99.989%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.19 +/- 3.37   1.016% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.009%
          HB2   ASN   28 - HG2   LYS+  65  20.64 +/- 4.03   0.758% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG2   LYS+  65  21.63 +/- 4.78   0.835% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG2   LYS+  65  17.41 +/- 3.70   0.505% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  23.52 +/- 2.94   0.194% *  0.0912% (0.92   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 158.6:
    *   T HA    LYS+  65 - QD    LYS+  65   3.28 +/- 0.59  45.938% * 96.9449% (0.92 10.00   4.75 158.63) =  99.954%  kept
        T HA    LYS+ 121 - QD    LYS+  65  15.65 +/- 2.71   0.596% *  0.5946% (0.57 10.00   0.02   0.02) =   0.008%
          HA2   GLY   16 - QD    LYS+  65  12.61 +/- 4.41   2.603% *  0.1014% (0.97  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  65 - QD    LYS+  38  16.69 +/- 3.85   0.849% *  0.1771% (0.17 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+  38  17.79 +/- 5.83   1.346% *  0.1086% (0.10 10.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QD    LYS+  65  14.64 +/- 2.64   1.199% *  0.0993% (0.95  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+ 102  19.04 +/- 6.51   0.694% *  0.1503% (0.14 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD    LYS+  65  16.06 +/- 3.90   0.968% *  0.0803% (0.76  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+ 102  20.97 +/- 3.66   0.303% *  0.2450% (0.23 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD    LYS+  65  15.97 +/- 2.98   0.970% *  0.0679% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.94 +/- 2.83   0.419% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD3   LYS+ 111  15.08 +/- 6.11   6.902% *  0.0089% (0.08  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  65  16.55 +/- 3.34   0.954% *  0.0511% (0.49  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  22.96 +/- 2.57   0.186% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  17.90 +/- 2.32   0.378% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  22.33 +/- 2.42   0.196% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  20.84 +/- 2.55   0.274% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD2   LYS+ 111  14.46 +/- 5.74   4.899% *  0.0055% (0.05  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+ 111  16.74 +/- 5.52   1.994% *  0.0127% (0.12  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    LYS+  65  16.73 +/- 2.65   0.699% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+ 111  13.76 +/- 2.45   1.327% *  0.0168% (0.16  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 111  18.72 +/- 4.75   1.070% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  18.88 +/- 5.20   4.026% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.19 +/- 1.99   0.729% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   9.44 +/- 1.89   2.704% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  15.99 +/- 4.29   0.870% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.03 +/- 2.61   1.441% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.35 +/- 5.23   0.786% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.91 +/- 5.05   0.497% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.17 +/- 4.54   0.927% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  19.86 +/- 5.69   0.433% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.41 +/- 1.43   2.693% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.05 +/- 1.77   0.414% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.20 +/- 5.03   1.246% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  21.26 +/- 4.82   0.333% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.08 +/- 1.19   2.142% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.11 +/- 1.71   0.465% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  19.73 +/- 4.37   0.332% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.88 +/- 1.37   0.414% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  29.53 +/- 4.70   0.120% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  22.27 +/- 3.65   0.301% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  23.08 +/- 2.74   0.208% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  14.88 +/- 4.59   0.983% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.65 +/- 2.40   0.225% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.58 +/- 3.03   0.595% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  22.48 +/- 2.67   0.222% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.36 +/- 1.03   0.206% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  25.32 +/- 3.57   0.137% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  28.98 +/- 3.79   0.098% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  25.50 +/- 1.85   0.123% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  28.50 +/- 3.72   0.100% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  21.15 +/- 4.98   0.308% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  27.74 +/- 2.52   0.102% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.88 +/- 3.07   0.259% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.74 +/- 2.46   0.130% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  21.18 +/- 2.89   0.280% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  29.70 +/- 3.20   0.078% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  28.65 +/- 2.24   0.085% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  29.31 +/- 4.63   0.125% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  27.80 +/- 3.28   0.099% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.863, support = 5.19, residual support = 156.9:
    * O T QB    LYS+  65 - QD    LYS+  65   2.18 +/- 0.12  39.787% * 69.3878% (1.00  10.0 10.00   5.32 158.63) =  81.280%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.34 +/- 0.30  33.843% * 17.1908% (0.25  10.0 10.00   4.75 160.78) =  17.129%  kept
          QB    LYS+  66 - QD    LYS+  65   5.23 +/- 0.87   5.194% *  8.5242% (0.57   1.0  1.00   4.34  30.94) =   1.303%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.40 +/- 3.84   6.587% *  1.0085% (0.13   1.0 10.00   0.23   0.02) =   0.196%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.63 +/- 1.08   2.135% *  0.8520% (0.06   1.0  1.00   3.90  23.47) =   0.054%
        T HB    VAL   41 - QD    LYS+  65  14.30 +/- 4.35   1.950% *  0.2604% (0.38   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   PRO   93 - QD    LYS+  65  15.35 +/- 3.38   0.359% *  0.5796% (0.84   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+ 102 - QD    LYS+  38  11.84 +/- 4.75   1.091% *  0.1243% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QD    LYS+  65  12.32 +/- 3.10   1.455% *  0.0692% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - QD    LYS+  65  19.77 +/- 3.96   0.125% *  0.6801% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - QD    LYS+  38  15.95 +/- 3.70   0.361% *  0.1268% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  11.05 +/- 4.22   0.958% *  0.0421% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  11.27 +/- 2.80   0.440% *  0.0658% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111  10.34 +/- 3.77   1.576% *  0.0143% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QD    LYS+ 102  19.33 +/- 3.65   0.127% *  0.1754% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  38  10.93 +/- 3.91   1.551% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.79 +/- 1.09   0.358% *  0.0476% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD3   LYS+ 111  19.32 +/- 2.37   0.067% *  0.1718% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.76 +/- 2.16   0.071% *  0.1063% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.25 +/- 1.70   0.048% *  0.1465% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  17.97 +/- 4.15   0.323% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.42 +/- 2.64   0.048% *  0.1042% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  16.64 +/- 4.75   0.222% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  24.75 +/- 2.26   0.030% *  0.1059% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  20.98 +/- 3.42   0.058% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.05 +/- 2.81   0.202% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.77 +/- 4.35   0.139% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  19.22 +/- 3.10   0.094% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  17.39 +/- 3.20   0.112% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.62 +/- 3.09   0.048% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.42 +/- 3.89   0.059% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.69 +/- 2.93   0.100% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  14.64 +/- 2.96   0.178% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  24.87 +/- 3.34   0.032% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.40 +/- 3.54   0.037% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  21.37 +/- 3.57   0.055% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.30 +/- 2.58   0.067% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.27 +/- 3.38   0.024% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.96 +/- 2.28   0.068% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.75 +/- 3.33   0.025% *  0.0064% (0.09   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 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.954, support = 4.51, residual support = 151.8:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.38 +/- 0.13  42.247% * 54.0927% (1.00  10.0 10.00   4.52 158.63) =  89.353%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.49 +/- 1.28   5.343% * 39.2794% (0.73   1.0 10.00   4.27  30.94) =   8.206%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.23 +/- 0.61  21.621% *  1.4512% (0.03  10.0  1.00   5.18 314.55) =   1.227%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.63 +/- 0.44  12.728% *  2.3452% (0.04  10.0  1.00   5.18 314.55) =   1.167%  kept
        T HB2   LYS+  74 - QD    LYS+  65   9.90 +/- 1.97   0.929% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.016%
        T HD2   LYS+ 121 - QD    LYS+  65  15.03 +/- 2.93   0.360% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HD3   LYS+  74 - QD    LYS+  65   9.13 +/- 2.96   1.999% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   LYS+ 121 - QD    LYS+  38  17.56 +/- 6.00   0.644% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  65 - QD    LYS+  38  17.96 +/- 4.57   0.519% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 121 - QD    LYS+  65  14.60 +/- 2.76   0.318% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - QD    LYS+ 102  18.21 +/- 6.12   0.295% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - QD    LYS+  65  12.94 +/- 3.48   2.597% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  16.67 +/- 3.62   0.213% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+ 102  20.20 +/- 4.84   0.209% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  65  13.58 +/- 2.34   0.337% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+  38  15.93 +/- 3.40   0.238% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.14 +/- 2.93   0.178% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - QD    LYS+ 102  22.30 +/- 4.50   0.105% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HD3   LYS+ 111  20.43 +/- 3.51   0.135% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+ 102  16.26 +/- 3.15   0.792% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  17.10 +/- 5.45   0.403% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  17.64 +/- 6.25   0.253% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.97 +/- 2.57   0.058% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.42 +/- 1.59   2.214% *  0.0034% (0.06   1.0  1.00   0.02   0.22) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.09 +/- 2.82   0.063% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  16.75 +/- 2.93   0.178% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.36 +/- 2.44   0.062% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.71 +/- 4.34   0.228% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  13.10 +/- 3.92   0.998% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.22 +/- 1.18   1.242% *  0.0022% (0.04   1.0  1.00   0.02   0.72) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  19.51 +/- 3.43   0.144% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.24 +/- 1.20   0.218% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  21.07 +/- 3.87   0.088% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  20.98 +/- 2.55   0.082% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  16.58 +/- 3.15   0.178% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.63 +/- 2.29   0.129% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  12.56 +/- 3.15   0.480% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  19.88 +/- 2.31   0.091% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  23.35 +/- 3.32   0.067% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.91 +/- 3.33   0.141% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  22.99 +/- 3.28   0.065% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  21.44 +/- 3.00   0.069% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.34 +/- 3.89   0.103% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  16.66 +/- 2.44   0.155% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.18 +/- 3.34   0.098% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  22.62 +/- 3.67   0.066% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.67 +/- 2.41   0.081% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  24.71 +/- 4.35   0.074% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  22.28 +/- 3.45   0.069% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  20.40 +/- 3.85   0.096% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 158.6:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.05  89.204% * 97.0780% (1.00  10.0 10.00   4.12 158.63) =  99.986%  kept
        T QE    LYS+  33 - QD    LYS+  65  15.43 +/- 3.42   0.462% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  65 - QD    LYS+  38  17.22 +/- 4.82   1.760% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  33 - QD    LYS+  38  10.05 +/- 1.28   0.968% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+ 102  15.97 +/- 3.26   0.288% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - QD    LYS+ 102  21.12 +/- 4.20   0.153% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   6.87 +/- 1.22   3.398% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.91 +/- 2.89   0.121% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  19.56 +/- 3.71   0.232% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.37 +/- 2.74   0.128% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  20.42 +/- 4.51   0.307% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  15.71 +/- 3.53   0.468% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  27.05 +/- 3.17   0.049% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  21.35 +/- 3.03   0.105% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  14.40 +/- 4.81   0.598% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  18.54 +/- 6.97   0.390% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  26.75 +/- 3.00   0.050% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  17.66 +/- 4.03   0.219% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.55 +/- 1.02   0.187% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.89 +/- 3.87   0.086% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  24.79 +/- 4.97   0.080% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.92 +/- 5.10   0.140% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  23.25 +/- 3.76   0.091% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  28.62 +/- 4.62   0.049% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  22.27 +/- 4.90   0.153% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  23.28 +/- 3.12   0.080% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  28.29 +/- 4.69   0.051% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.51 +/- 4.95   0.048% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  25.20 +/- 3.27   0.086% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  30.34 +/- 4.84   0.049% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.891, support = 4.83, residual support = 153.1:
    *   T HA    LYS+  65 - QE    LYS+  65   4.33 +/- 0.61  47.852% * 88.0388% (0.92 10.00   4.88 158.63) =  96.148%  kept
        T HA    GLN   32 - QE    LYS+  33   6.95 +/- 1.13  16.979% *  9.7024% (0.10 10.00   3.59  15.73) =   3.760%  kept
        T HA    LYS+ 121 - QE    LYS+  65  15.99 +/- 3.20   2.009% *  0.5399% (0.57 10.00   0.02   0.02) =   0.025%
        T HA    LYS+  65 - QE    LYS+  33  14.96 +/- 3.28   2.061% *  0.4526% (0.47 10.00   0.02   0.02) =   0.021%
          HA2   GLY   16 - QE    LYS+  33  11.66 +/- 3.34   9.151% *  0.0473% (0.50  1.00   0.02   0.02) =   0.010%
        T HA    LYS+ 121 - QE    LYS+  33  20.17 +/- 4.86   1.130% *  0.2776% (0.29 10.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - QE    LYS+  65  13.12 +/- 3.81   3.274% *  0.0920% (0.97  1.00   0.02   0.02) =   0.007%
          HA    ALA  120 - QE    LYS+  65  14.95 +/- 3.03   2.082% *  0.0902% (0.95  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - QE    LYS+  65  15.92 +/- 3.92   2.373% *  0.0729% (0.76  1.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - QE    LYS+  65  19.97 +/- 4.67   0.826% *  0.1887% (0.20 10.00   0.02   0.02) =   0.004%
          HB    THR   94 - QE    LYS+  65  16.27 +/- 2.82   1.727% *  0.0617% (0.65  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QE    LYS+  65  16.52 +/- 3.09   1.557% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QE    LYS+  33  20.64 +/- 4.50   1.334% *  0.0464% (0.49  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  65  20.88 +/- 2.45   0.569% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  16.71 +/- 2.51   1.234% *  0.0325% (0.34  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  65  15.47 +/- 2.43   1.648% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  23.54 +/- 5.14   0.461% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.72 +/- 1.73   0.519% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  22.55 +/- 3.18   0.432% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  20.17 +/- 4.15   1.292% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.39 +/- 3.57   0.629% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.06 +/- 4.13   0.308% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.35 +/- 3.44   0.261% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  26.34 +/- 4.64   0.292% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.979, support = 5.4, residual support = 152.6:
    *   T QB    LYS+  65 - QE    LYS+  65   3.28 +/- 0.53  48.011% * 88.2469% (1.00 10.00   5.45 158.63) =  95.323%  kept
          QB    LYS+  66 - QE    LYS+  65   5.75 +/- 1.62  19.154% * 10.7334% (0.57  1.00   4.30  30.94) =   4.626%  kept
          HB2   LEU   71 - QE    LYS+  65  12.74 +/- 3.02  10.156% *  0.0881% (1.00  1.00   0.02   0.02) =   0.020%
        T QB    LYS+  65 - QE    LYS+  33  14.63 +/- 2.97   1.212% *  0.4536% (0.51 10.00   0.02   0.02) =   0.012%
          HB2   LEU   71 - QE    LYS+  33  10.00 +/- 3.54   4.688% *  0.0453% (0.51  1.00   0.02   0.02) =   0.005%
          HB3   GLN   17 - QE    LYS+  65  11.43 +/- 4.20   3.944% *  0.0535% (0.61  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QE    LYS+  65  14.84 +/- 4.16   3.949% *  0.0331% (0.38  1.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - QE    LYS+  65  15.56 +/- 3.03   0.896% *  0.0737% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  33  11.26 +/- 2.93   2.317% *  0.0275% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  33  10.42 +/- 1.80   2.225% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  65  20.35 +/- 4.08   0.432% *  0.0865% (0.98  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  15.38 +/- 2.88   0.656% *  0.0445% (0.50  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  65  18.61 +/- 4.16   0.956% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.36 +/- 2.18   0.807% *  0.0257% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.82 +/- 2.26   0.145% *  0.0379% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.52 +/- 2.19   0.452% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 0.988, support = 4.54, residual support = 152.9:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.61 +/- 0.44  55.713% * 85.3095% (1.00  10.0 10.00   4.54 158.63) =  95.523%  kept
          QD    LYS+  66 - QE    LYS+  65   5.99 +/- 1.70  16.147% * 13.7204% (0.73   1.0  1.00   4.43  30.94) =   4.452%  kept
          QG2   THR   26 - QE    LYS+  33   6.36 +/- 1.41  10.377% *  0.0435% (0.51   1.0  1.00   0.02   0.02) =   0.009%
        T HG2   LYS+  65 - QE    LYS+  33  16.19 +/- 3.37   0.547% *  0.4385% (0.51   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QE    LYS+  65  10.02 +/- 2.58   2.127% *  0.0713% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QE    LYS+  65  13.73 +/- 2.78   1.136% *  0.0846% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QE    LYS+  65  15.42 +/- 3.39   1.069% *  0.0846% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QE    LYS+  65   9.26 +/- 3.58   5.042% *  0.0132% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QE    LYS+  65  13.61 +/- 3.40   2.703% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  33  14.21 +/- 2.35   0.472% *  0.0366% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  14.95 +/- 3.17   0.793% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.02 +/- 2.18   1.504% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.35 +/- 2.49   0.437% *  0.0318% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  19.56 +/- 5.32   0.263% *  0.0435% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.48 +/- 4.27   0.409% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.08 +/- 2.99   0.373% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  19.30 +/- 4.69   0.278% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.90 +/- 2.61   0.194% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.41 +/- 2.68   0.337% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.26 +/- 2.95   0.079% *  0.0077% (0.09   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 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 158.6:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.05  86.986% * 96.2302% (1.00  10.0 10.00   4.12 158.63) =  99.966%  kept
        T QD    LYS+  38 - QE    LYS+  65  17.22 +/- 4.82   1.722% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.018%
        T QD    LYS+  38 - QE    LYS+  33  10.05 +/- 1.28   0.944% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - QE    LYS+  65   9.49 +/- 3.03   4.350% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - QE    LYS+  33  15.43 +/- 3.42   0.451% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - QE    LYS+  65  21.12 +/- 4.20   0.149% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  33  15.97 +/- 3.26   0.281% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  65  14.46 +/- 3.05   0.818% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.35 +/- 2.11   1.743% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  20.91 +/- 2.89   0.117% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.37 +/- 2.74   0.124% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.64 +/- 3.44   0.502% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  15.53 +/- 2.74   0.395% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  18.97 +/- 2.55   0.139% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  19.31 +/- 4.47   0.177% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  21.16 +/- 6.26   0.163% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.47 +/- 2.64   0.279% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  27.05 +/- 3.17   0.047% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  20.84 +/- 4.94   0.309% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  26.75 +/- 3.00   0.049% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.38 +/- 3.04   0.190% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.79 +/- 2.31   0.066% *  0.0186% (0.19   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 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 = 0.989, support = 5.18, residual support = 115.0:
    * O T QB    LYS+  66 - HA    LYS+  66   2.35 +/- 0.10  80.864% * 85.7117% (1.00  10.0 10.00   5.17 117.24) =  97.410%  kept
          QB    LYS+  65 - HA    LYS+  66   4.32 +/- 0.33  13.700% * 13.4210% (0.57   1.0  1.00   5.53  30.94) =   2.584%  kept
          HB    VAL   41 - HA    LYS+  66  14.52 +/- 3.94   2.304% *  0.0811% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HA    LYS+  66  15.10 +/- 4.93   1.243% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  66  22.30 +/- 2.12   0.103% *  0.4853% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LYS+  66  18.51 +/- 4.73   0.474% *  0.0716% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  11.93 +/- 1.50   0.746% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  17.91 +/- 3.09   0.367% *  0.0769% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  20.44 +/- 4.35   0.199% *  0.0589% (0.69   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.966, support = 4.33, residual support = 110.2:
    * O T QG    LYS+  66 - HA    LYS+  66   2.58 +/- 0.41  67.917% * 64.6399% (1.00  10.0 10.00   4.32 117.24) =  93.137%  kept
        T HG    LEU   67 - HA    LYS+  66   5.39 +/- 0.98  10.187% * 24.2601% (0.38   1.0 10.00   4.79  14.78) =   5.243%  kept
          HB3   LEU   67 - HA    LYS+  66   5.80 +/- 0.46   7.058% * 10.7395% (0.95   1.0  1.00   3.51  14.78) =   1.608%  kept
          HG    LEU   40 - HA    LYS+  66  11.74 +/- 2.22   6.301% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   61 - HA    LYS+  66   8.15 +/- 0.97   2.663% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+  66  14.67 +/- 2.43   1.612% *  0.0611% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HA    LYS+  66  13.20 +/- 4.18   1.944% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    LYS+  66  14.15 +/- 2.30   0.810% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    LYS+  66  21.04 +/- 3.88   0.471% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.53 +/- 4.90   0.270% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.92 +/- 2.34   0.342% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  20.51 +/- 3.70   0.425% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.987, support = 4.43, residual support = 113.1:
    *   T QD    LYS+  66 - HA    LYS+  66   3.13 +/- 0.56  67.262% * 85.4153% (1.00 10.00   4.44 117.24) =  95.180%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.67 +/- 1.09  21.281% * 13.6028% (0.73  1.00   4.39  30.94) =   4.796%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  14.79 +/- 3.77   1.496% *  0.6840% (0.80 10.00   0.02   0.02) =   0.017%
          HD3   LYS+  74 - HA    LYS+  66  10.99 +/- 2.74   3.209% *  0.0449% (0.53  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HA    LYS+  66  14.35 +/- 3.65   1.760% *  0.0587% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LYS+  66  11.50 +/- 2.26   2.723% *  0.0321% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  66  18.70 +/- 4.61   1.211% *  0.0587% (0.69  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  66  15.64 +/- 1.98   0.663% *  0.0553% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+  66  20.64 +/- 2.84   0.395% *  0.0484% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.10 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 117.2:
    *   T QE    LYS+  66 - HA    LYS+  66   4.29 +/- 0.70  85.656% * 99.6609% (1.00 10.00   4.40 117.24) =  99.986%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.61 +/- 2.85   3.395% *  0.2219% (0.22 10.00   0.02   0.02) =   0.009%
          HB2   ASN   69 - HA    LYS+  66  10.14 +/- 1.28   9.753% *  0.0308% (0.31  1.00   0.02   0.02) =   0.004%
          HB3   ASN   35 - HA    LYS+  66  21.09 +/- 3.14   1.196% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 117.2:
    * O T HA    LYS+  66 - QB    LYS+  66   2.35 +/- 0.10  94.758% * 99.9488% (1.00  10.0 10.00   5.17 117.24) =  99.999%  kept
          HA1   GLY   16 - QB    LYS+  66  11.94 +/- 4.56   4.810% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    LYS+  66  19.71 +/- 2.58   0.194% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  20.10 +/- 3.57   0.239% *  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 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 = 0.974, support = 4.53, residual support = 112.0:
    * O T QG    LYS+  66 - QB    LYS+  66   2.07 +/- 0.02  78.785% * 64.4145% (1.00  10.0 10.00   4.53 117.24) =  94.930%  kept
        T HG    LEU   67 - QB    LYS+  66   5.03 +/- 1.05   8.909% * 24.1755% (0.38   1.0 10.00   4.73  14.78) =   4.029%  kept
          HB3   LEU   67 - QB    LYS+  66   5.32 +/- 0.55   5.241% * 10.5479% (0.95   1.0  1.00   3.46  14.78) =   1.034%  kept
          QB    ALA   61 - QB    LYS+  66   7.07 +/- 1.14   2.926% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 102 - QB    LYS+  66  20.66 +/- 4.73   0.133% *  0.5587% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+  66  10.18 +/- 1.81   1.171% *  0.0314% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  13.37 +/- 2.21   0.497% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QB    LYS+  66  11.22 +/- 2.38   0.747% *  0.0314% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.48 +/- 2.95   0.655% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  18.72 +/- 4.09   0.352% *  0.0417% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.91 +/- 2.24   0.264% *  0.0391% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.18 +/- 3.80   0.320% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.978, support = 4.53, residual support = 110.3:
    * O T QD    LYS+  66 - QB    LYS+  66   2.14 +/- 0.20  83.137% * 57.5492% (1.00  10.0 10.00   4.54 117.24) =  92.013%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.76 +/- 1.35   9.911% * 41.7893% (0.73   1.0 10.00   4.43  30.94) =   7.965%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  11.92 +/- 3.58   2.138% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.019%
          HB3   LYS+ 121 - QB    LYS+  66  11.52 +/- 3.37   1.521% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  66   9.88 +/- 2.12   1.237% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  10.54 +/- 1.73   0.982% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  16.06 +/- 4.25   0.494% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  14.49 +/- 1.57   0.328% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  17.03 +/- 2.82   0.253% *  0.0326% (0.57   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 117.2:
    *   T QE    LYS+  66 - QB    LYS+  66   3.46 +/- 0.37  84.829% * 99.6609% (1.00 10.00   4.56 117.24) =  99.989%  kept
        T HB2   ASP-  76 - QB    LYS+  66  14.81 +/- 2.64   2.149% *  0.2219% (0.22 10.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - QB    LYS+  66   9.30 +/- 1.55  12.270% *  0.0308% (0.31  1.00   0.02   0.02) =   0.004%
          HB3   ASN   35 - QB    LYS+  66  19.12 +/- 3.15   0.751% *  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 = 0.989, support = 4.33, residual support = 116.1:
    * O T HA    LYS+  66 - QG    LYS+  66   2.58 +/- 0.41  75.530% * 92.8046% (1.00  10.0 10.00   4.32 117.24) =  98.845%  kept
        T HA    LYS+  66 - HG    LEU   67   5.39 +/- 0.98  11.450% *  7.1442% (0.08   1.0 10.00   4.79  14.78) =   1.153%  kept
          HA1   GLY   16 - QG    LYS+  66  12.21 +/- 4.93   5.522% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QG    LYS+  66  20.42 +/- 3.84   0.501% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  20.21 +/- 2.91   0.299% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  11.65 +/- 6.51   6.072% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.86 +/- 2.62   0.375% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  21.02 +/- 3.04   0.250% *  0.0011% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.972, support = 4.59, residual support = 112.3:
    * O T QB    LYS+  66 - QG    LYS+  66   2.07 +/- 0.02  61.969% * 79.2542% (1.00  10.0 10.00   4.53 117.24) =  94.503%  kept
          QB    LYS+  65 - QG    LYS+  66   4.20 +/- 1.38  18.469% * 12.9581% (0.57   1.0  1.00   5.78  30.94) =   4.605%  kept
        T QB    LYS+  66 - HG    LEU   67   5.03 +/- 1.05   7.017% *  6.1011% (0.08   1.0 10.00   4.73  14.78) =   0.824%  kept
        T HB    VAL   41 - QG    LYS+  66  13.54 +/- 3.79   4.429% *  0.7497% (0.95   1.0 10.00   0.02   0.02) =   0.064%
        T QB    LYS+ 102 - QG    LYS+  66  18.58 +/- 4.19   0.139% *  0.5444% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG    LYS+  66  12.65 +/- 4.86   1.097% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.62 +/- 2.55   0.563% *  0.0577% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG    LYS+  66  16.71 +/- 4.69   0.368% *  0.0662% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.35 +/- 2.89   0.259% *  0.0711% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  11.64 +/- 1.49   0.420% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   6.59 +/- 1.08   2.485% *  0.0035% (0.04   1.0  1.00   0.02   0.41) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  17.55 +/- 4.26   0.191% *  0.0419% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.38 +/- 2.02   1.551% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.22 +/- 1.98   0.084% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.37 +/- 4.28   0.390% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  16.23 +/- 4.78   0.353% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  17.06 +/- 2.64   0.153% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  22.02 +/- 2.43   0.061% *  0.0035% (0.04   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 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 = 0.98, support = 4.23, residual support = 113.5:
    * O T QD    LYS+  66 - QG    LYS+  66   2.11 +/- 0.03  66.885% * 79.7242% (1.00  10.0 10.00   4.22 117.24) =  95.940%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.68 +/- 1.37  11.272% * 13.1264% (0.73   1.0  1.00   4.53  30.94) =   2.662%  kept
        T QD    LYS+  66 - HG    LEU   67   6.39 +/- 1.76  12.538% *  6.1372% (0.08   1.0 10.00   4.17  14.78) =   1.384%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  12.69 +/- 3.53   0.853% *  0.6384% (0.80   1.0 10.00   0.02   0.02) =   0.010%
          HD3   LYS+  74 - QG    LYS+  66  10.18 +/- 2.13   0.892% *  0.0419% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QG    LYS+  66  12.37 +/- 3.16   0.622% *  0.0548% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HG    LEU   67  10.09 +/- 2.46   1.234% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HG    LEU   67  14.46 +/- 3.94   0.438% *  0.0491% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  10.89 +/- 1.71   0.619% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  16.94 +/- 4.29   0.229% *  0.0548% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  14.87 +/- 1.70   0.231% *  0.0516% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  17.62 +/- 3.17   0.184% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.19 +/- 1.33   1.648% *  0.0045% (0.06   1.0  1.00   0.02   0.41) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  10.07 +/- 2.59   1.050% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  13.90 +/- 4.17   0.517% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  15.70 +/- 4.45   0.315% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.17 +/- 2.41   0.324% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.78 +/- 3.89   0.151% *  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 = 0.984, support = 3.83, residual support = 115.5:
    * O T QE    LYS+  66 - QG    LYS+  66   2.13 +/- 0.10  78.085% * 92.5373% (1.00  10.0 10.00   3.83 117.24) =  98.318%  kept
        T QE    LYS+  66 - HG    LEU   67   7.27 +/- 2.05  17.337% *  7.1236% (0.08   1.0 10.00   3.90  14.78) =   1.680%  kept
        T HB2   ASP-  76 - QG    LYS+  66  15.07 +/- 2.75   0.323% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.74 +/- 1.81   1.624% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QG    LYS+  66  19.65 +/- 3.57   0.153% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  14.98 +/- 2.35   0.332% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.20 +/- 1.14   1.975% *  0.0022% (0.02   1.0  1.00   0.02   2.96) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.23 +/- 2.29   0.172% *  0.0062% (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 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 117.2:
    *   T HA    LYS+  66 - QD    LYS+  66   3.13 +/- 0.56  82.904% * 99.8184% (1.00 10.00   4.44 117.24) =  99.995%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  14.79 +/- 3.77   1.808% *  0.1241% (0.12 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QD    LYS+  66  12.61 +/- 4.77   9.787% *  0.0135% (0.14  1.00   0.02   0.02) =   0.002%
          HA    LYS+  81 - QD    LYS+  66  21.37 +/- 4.30   0.851% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  20.74 +/- 3.08   0.424% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.29 +/- 5.91   3.556% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  23.33 +/- 5.76   0.450% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  27.19 +/- 3.02   0.220% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.961, support = 4.62, residual support = 109.6:
    * O T QB    LYS+  66 - QD    LYS+  66   2.14 +/- 0.20  64.615% * 63.5425% (1.00  10.0 10.00   4.54 117.24) =  91.139%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.07 +/- 1.09  11.080% * 35.9749% (0.57   1.0 10.00   5.46  30.94) =   8.848%  kept
          HB    VAL   41 - QD    LYS+  66  14.66 +/- 3.79   2.923% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  66 - HD2   LYS+ 121  11.92 +/- 3.58   1.648% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  123 - QD    LYS+  66  12.74 +/- 5.12   3.146% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - HD2   LYS+ 121  15.74 +/- 6.40  10.458% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - QD    LYS+  66  17.74 +/- 4.99   0.608% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 121  13.56 +/- 2.60   0.625% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  66  12.61 +/- 1.41   0.373% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.25 +/- 2.94   0.212% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  19.34 +/- 4.51   0.197% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.41 +/- 1.03   1.279% *  0.0045% (0.07   1.0  1.00   0.02   4.39) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  15.65 +/- 5.61   1.336% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  17.30 +/- 6.43   0.825% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  20.01 +/- 2.22   0.088% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.00 +/- 4.73   0.377% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  16.96 +/- 1.71   0.140% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  21.70 +/- 2.47   0.071% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 0.959, support = 4.21, residual support = 110.1:
    * O T QG    LYS+  66 - QD    LYS+  66   2.11 +/- 0.03  66.258% * 65.9005% (1.00  10.0 10.00   4.22 117.24) =  92.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.39 +/- 1.76  12.317% * 24.7332% (0.38   1.0 10.00   4.17  14.78) =   6.488%  kept
          HB3   LEU   67 - QD    LYS+  66   6.93 +/- 1.06   2.661% *  8.7608% (0.95   1.0  1.00   2.81  14.78) =   0.497%  kept
        T HG    LEU   40 - HD2   LYS+ 121  11.98 +/- 5.42  10.069% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA   61 - QD    LYS+  66   8.04 +/- 1.25   1.710% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HD2   LYS+ 121  12.69 +/- 3.53   0.845% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    LYS+  66  14.86 +/- 2.81   0.639% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  10.18 +/- 1.12   0.657% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+  66  11.82 +/- 2.27   0.737% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD    LYS+  66  12.70 +/- 2.74   0.488% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  14.46 +/- 3.94   0.433% *  0.0308% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  13.77 +/- 3.18   0.377% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  20.01 +/- 4.74   0.281% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  15.99 +/- 2.58   0.221% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  22.25 +/- 5.22   0.115% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.27 +/- 1.88   0.482% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  14.01 +/- 3.85   0.424% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  19.47 +/- 4.57   0.260% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.84 +/- 4.51   0.236% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  20.11 +/- 7.01   0.205% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.18 +/- 2.23   0.290% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  18.10 +/- 4.36   0.194% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.81 +/- 4.62   0.050% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  25.28 +/- 3.78   0.052% *  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 = 3.79, residual support = 117.2:
    * O T QE    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  95.952% * 99.4957% (1.00  10.0 10.00   3.79 117.24) =  99.997%  kept
        T HB2   ASP-  76 - QD    LYS+  66  16.08 +/- 3.28   0.489% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  66 - HD2   LYS+ 121  13.71 +/- 3.86   0.743% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.30 +/- 1.47   1.269% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  20.28 +/- 3.85   0.207% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  14.75 +/- 5.60   1.067% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  22.58 +/- 2.61   0.102% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  22.75 +/- 6.05   0.171% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 117.2:
    *   T HA    LYS+  66 - QE    LYS+  66   4.29 +/- 0.70  70.329% * 99.7309% (1.00 10.00   4.40 117.24) =  99.988%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.61 +/- 2.85   2.793% *  0.2073% (0.21 10.00   0.02   0.02) =   0.008%
          HA1   GLY   16 - QE    LYS+  66  13.27 +/- 4.79   9.280% *  0.0135% (0.14  1.00   0.02   0.02) =   0.002%
          HA    LYS+  81 - HB2   ASP-  76   8.44 +/- 1.03  12.372% *  0.0032% (0.03  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QE    LYS+  66  21.85 +/- 4.84   2.316% *  0.0154% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  66  21.40 +/- 3.54   1.132% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.02 +/- 3.62   0.762% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.86 +/- 5.37   1.016% *  0.0028% (0.03  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 = 0.976, support = 4.56, residual support = 112.5:
    *   T QB    LYS+  66 - QE    LYS+  66   3.46 +/- 0.37  48.235% * 87.4691% (1.00 10.00   4.56 117.24) =  94.570%  kept
          QB    LYS+  65 - QE    LYS+  66   5.65 +/- 1.59  20.353% * 11.8080% (0.57  1.00   4.77  30.94) =   5.387%  kept
          HB    VAL   41 - QE    LYS+  66  15.29 +/- 4.24  11.462% *  0.0827% (0.95  1.00   0.02   0.02) =   0.021%
          HG    LEU  123 - QE    LYS+  66  12.98 +/- 5.56   9.552% *  0.0495% (0.57  1.00   0.02   0.02) =   0.011%
        T QB    LYS+  66 - HB2   ASP-  76  14.81 +/- 2.64   0.917% *  0.1819% (0.21 10.00   0.02   0.02) =   0.004%
          HG12  ILE  103 - QE    LYS+  66  18.26 +/- 5.44   1.326% *  0.0731% (0.84  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QE    LYS+  66  16.73 +/- 3.07   0.750% *  0.0784% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  13.28 +/- 1.54   1.076% *  0.0460% (0.53  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  66  19.81 +/- 4.95   0.539% *  0.0601% (0.69  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   ASP-  76  15.38 +/- 2.97   1.001% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  20.33 +/- 2.16   0.277% *  0.0495% (0.57  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  13.26 +/- 2.26   1.241% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  14.68 +/- 1.69   0.753% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.90 +/- 4.10   1.019% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  17.89 +/- 2.70   0.461% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.23 +/- 1.29   0.457% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  20.64 +/- 2.91   0.332% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.10 +/- 3.72   0.249% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 0.952, support = 3.83, residual support = 109.0:
    * O T QG    LYS+  66 - QE    LYS+  66   2.13 +/- 0.10  67.479% * 65.3943% (1.00  10.0 10.00   3.83 117.24) =  91.917%  kept
        T HG    LEU   67 - QE    LYS+  66   7.27 +/- 2.05  14.944% * 24.5432% (0.38   1.0 10.00   3.90  14.78) =   7.640%  kept
          HB3   LEU   67 - QE    LYS+  66   7.85 +/- 1.38   2.222% *  9.4221% (0.95   1.0  1.00   3.05  14.78) =   0.436%  kept
          QB    ALA   61 - QE    LYS+  66   8.46 +/- 1.36   1.538% *  0.0546% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HB2   ASP-  76  15.07 +/- 2.75   0.279% *  0.1360% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   7.60 +/- 1.79   3.749% *  0.0088% (0.13   1.0  1.00   0.02   1.24) =   0.001%
          HG    LEU   80 - QE    LYS+  66  20.52 +/- 5.38   0.654% *  0.0423% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  66  15.51 +/- 2.85   0.362% *  0.0619% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.46 +/- 2.73   0.690% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  14.98 +/- 2.35   0.287% *  0.0510% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  13.35 +/- 3.01   0.443% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  14.53 +/- 3.14   0.340% *  0.0344% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  10.86 +/- 2.87   0.989% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.29 +/- 1.84   0.669% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.63 +/- 1.26   3.539% *  0.0024% (0.04   1.0  1.00   0.02   1.24) =   0.000%
          QB    ALA  110 - QE    LYS+  66  16.45 +/- 2.71   0.195% *  0.0397% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  22.79 +/- 5.75   0.131% *  0.0567% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  19.97 +/- 5.22   0.417% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  14.81 +/- 1.98   0.250% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  15.82 +/- 5.29   0.264% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.71 +/- 2.84   0.200% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  16.93 +/- 2.20   0.165% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  23.49 +/- 3.06   0.071% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  18.18 +/- 1.72   0.123% *  0.0066% (0.10   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 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 3.8, residual support = 116.6:
    * O T QD    LYS+  66 - QE    LYS+  66   2.08 +/- 0.03  85.583% * 85.4345% (1.00  10.0 10.00   3.79 117.24) =  99.283%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.10 +/- 1.65   3.951% * 13.1887% (0.73   1.0  1.00   4.25  30.94) =   0.708%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  13.71 +/- 3.86   0.662% *  0.6841% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  66 - HB2   ASP-  76  16.08 +/- 3.28   0.436% *  0.1776% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QE    LYS+  66  13.43 +/- 3.33   0.540% *  0.0587% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  11.96 +/- 2.34   0.687% *  0.0449% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.39 +/- 1.32   2.466% *  0.0093% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.71 +/- 1.49   2.942% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  18.37 +/- 4.90   0.283% *  0.0587% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  12.72 +/- 1.96   0.487% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  16.14 +/- 2.17   0.253% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  22.58 +/- 2.61   0.091% *  0.1422% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  18.72 +/- 3.40   0.243% *  0.0484% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  12.61 +/- 4.14   0.718% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  14.99 +/- 2.94   0.332% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  20.95 +/- 3.29   0.154% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  21.75 +/- 2.16   0.087% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  22.34 +/- 2.34   0.083% *  0.0122% (0.14   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 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 = 36.2:
    * O T HB2   PRO   68 - HA    PRO   68   2.58 +/- 0.21  96.935% * 98.6006% (0.84  10.0 10.00   2.00  36.23) =  99.994%  kept
        T HB    VAL   24 - HA    PRO   68  21.68 +/- 2.97   0.254% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLU- 100 - HA    PRO   68  16.76 +/- 6.38   2.419% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLN   32 - HA    PRO   68  17.47 +/- 2.47   0.392% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 36.2:
    * O T HA    PRO   68 - HB2   PRO   68   2.58 +/- 0.21  99.739% * 99.1920% (0.84  10.0 10.00   2.00  36.23) =  99.998%  kept
        T HA    PRO   68 - HB    VAL   24  21.68 +/- 2.97   0.261% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.52 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 = 59.2:
    * O T HB2   ASN   69 - HA    ASN   69   2.54 +/- 0.21  96.485% * 99.7955% (1.00  10.0 10.00   3.31  59.18) =  99.999%  kept
          QE    LYS+  66 - HA    ASN   69  10.36 +/- 1.66   1.920% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  19.21 +/- 2.31   0.302% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  12.94 +/- 3.02   1.122% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  22.90 +/- 2.58   0.171% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.2:
    * O T HB3   ASN   69 - HA    ASN   69   2.73 +/- 0.26  95.203% * 99.7714% (1.00  10.0 10.00   3.00  59.18) =  99.996%  kept
          HB2   PHE   72 - HA    ASN   69  10.27 +/- 0.95   2.058% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASN   69  12.47 +/- 2.52   1.844% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    ASN   69  20.26 +/- 3.83   0.894% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.95 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 = 59.2:
    * O T HA    ASN   69 - HB2   ASN   69   2.54 +/- 0.21  98.995% * 99.8126% (1.00  10.0 10.00   3.31  59.18) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  14.11 +/- 1.72   0.768% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  21.52 +/- 2.50   0.237% *  0.0978% (0.98   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 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 = 59.2:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.095% * 99.7714% (1.00  10.0 10.00   3.97  59.18) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.35 +/- 0.91   0.393% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.00 +/- 2.35   0.315% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  21.40 +/- 3.47   0.197% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.2:
    * O T HA    ASN   69 - HB3   ASN   69   2.73 +/- 0.26  98.766% * 99.8126% (1.00  10.0 10.00   3.00  59.18) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  13.81 +/- 1.79   0.989% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  21.38 +/- 2.24   0.245% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.2:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.908% * 99.7955% (1.00  10.0 10.00   3.97  59.18) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.53 +/- 2.02   0.663% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  20.49 +/- 1.82   0.068% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  13.69 +/- 2.99   0.320% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  24.05 +/- 1.92   0.041% *  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 = 79.4:
    * O T HB    VAL   70 - HA    VAL   70   2.91 +/- 0.18  74.302% * 97.2460% (1.00  10.0 10.00   4.31  79.45) =  99.936%  kept
        T QG    GLN   17 - HA    VAL   70  10.21 +/- 3.93   3.869% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.052%
        T QG    GLN   17 - HA    SER   48  19.95 +/- 5.65   1.484% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.005%
          HB2   MET   96 - HA    VAL   70  12.41 +/- 2.20   1.269% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HB2   SER   82  23.95 +/- 5.78   0.186% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   SER   82  23.44 +/- 2.51   0.158% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HA    SER   48  19.97 +/- 2.59   0.300% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   9.14 +/- 4.05   9.893% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  20.28 +/- 8.90   1.198% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  13.02 +/- 4.78   1.509% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70  11.48 +/- 2.68   1.856% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  19.87 +/- 1.54   0.248% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  17.73 +/- 4.35   0.568% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.76 +/- 1.42   1.499% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  17.61 +/- 1.44   0.363% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  22.02 +/- 5.26   0.413% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  16.63 +/- 1.43   0.461% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.72 +/- 6.45   0.167% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  28.99 +/- 5.58   0.103% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  28.85 +/- 1.72   0.081% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  30.20 +/- 2.27   0.071% *  0.0044% (0.05   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 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 4.81, residual support = 76.6:
    * O T QG1   VAL   70 - HA    VAL   70   2.46 +/- 0.21  66.315% * 77.9098% (1.00  10.0 10.00   4.77  79.45) =  93.685%  kept
          QD1   LEU   71 - HA    VAL   70   4.69 +/- 1.07  17.450% * 19.7491% (0.92   1.0  1.00   5.49  34.90) =   6.249%  kept
        T QG1   VAL   18 - HA    VAL   70   8.84 +/- 4.06   3.703% *  0.7637% (0.98   1.0 10.00   0.02   0.02) =   0.051%
          HB3   LEU   63 - HA    VAL   70   8.20 +/- 2.26   8.664% *  0.0441% (0.57   1.0  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   18 - HA    SER   48  15.73 +/- 5.97   0.541% *  0.1740% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HB2   SER   82  19.74 +/- 6.91   0.242% *  0.3701% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  12.62 +/- 3.19   1.124% *  0.0719% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HB2   SER   82  20.71 +/- 2.60   0.131% *  0.3775% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HA    SER   48  17.76 +/- 2.16   0.216% *  0.1775% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  14.10 +/- 3.60   0.568% *  0.0473% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.51 +/- 2.04   0.117% *  0.1638% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  21.70 +/- 2.67   0.123% *  0.0349% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  17.11 +/- 3.67   0.315% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.62 +/- 3.84   0.091% *  0.0349% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.87 +/- 2.41   0.147% *  0.0164% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  22.70 +/- 3.51   0.108% *  0.0214% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  26.32 +/- 5.28   0.078% *  0.0229% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  25.77 +/- 1.91   0.066% *  0.0108% (0.14   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 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 79.5:
    * O T QG2   VAL   70 - HA    VAL   70   2.41 +/- 0.40  99.253% * 99.2926% (0.80  10.0 10.00   4.00  79.45) =  99.997%  kept
        T QG2   VAL   70 - HB2   SER   82  19.35 +/- 2.50   0.325% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   70 - HA    SER   48  16.72 +/- 1.79   0.422% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.25 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 = 79.1:
    * O T HA    VAL   70 - HB    VAL   70   2.91 +/- 0.18  54.058% * 95.1966% (1.00  10.0 10.00   4.31  79.45) =  99.084%  kept
          HA    VAL   18 - QG    GLN   17   4.92 +/- 0.80  14.974% *  2.7252% (0.13   1.0  1.00   4.49  50.30) =   0.786%  kept
          HA1   GLY   16 - QG    GLN   17   5.17 +/- 0.43  10.658% *  0.5034% (0.04   1.0  1.00   2.88  17.29) =   0.103%  kept
        T HA    VAL   70 - QG    GLN   17  10.21 +/- 3.93   2.785% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.009%
          HA    VAL   18 - HB    VAL   70   8.47 +/- 4.82   6.475% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   SER   82 - HB    VAL   70  23.44 +/- 2.51   0.116% *  0.5774% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70  10.26 +/- 5.09   3.501% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB    VAL   70  14.58 +/- 2.88   0.663% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - HB    VAL   70  19.97 +/- 2.59   0.218% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  11.45 +/- 1.65   1.032% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG    GLN   17  19.95 +/- 5.65   1.061% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  14.89 +/- 1.91   0.495% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  16.52 +/- 2.08   0.371% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  14.38 +/- 3.56   1.487% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.95 +/- 5.78   0.135% *  0.1073% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  14.16 +/- 2.79   0.688% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.26 +/- 3.39   0.873% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  17.14 +/- 3.52   0.412% *  0.0177% (0.19   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 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 = 0.997, support = 5.18, residual support = 78.8:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.02  68.426% * 76.6322% (1.00  10.0 10.00   5.18  79.45) =  98.447%  kept
          QD1   LEU   71 - HB    VAL   70   6.39 +/- 0.90   3.379% * 19.8550% (0.92   1.0  1.00   5.61  34.90) =   1.260%  kept
          QG1   VAL   18 - QG    GLN   17   5.39 +/- 0.55   4.592% *  3.0917% (0.18   1.0  1.00   4.43  50.30) =   0.267%  kept
          QG1   VAL   18 - HB    VAL   70   7.90 +/- 4.58   8.746% *  0.0751% (0.98   1.0  1.00   0.02   0.02) =   0.012%
          HB3   LEU   63 - HB    VAL   70   6.29 +/- 2.02   7.559% *  0.0434% (0.57   1.0  1.00   0.02   0.02) =   0.006%
        T QG1   VAL   70 - QG    GLN   17   9.02 +/- 2.90   2.009% *  0.1423% (0.19   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - HB    VAL   70  12.15 +/- 3.07   1.099% *  0.0707% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG    GLN   17   8.46 +/- 4.50   2.545% *  0.0131% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  14.38 +/- 3.21   0.312% *  0.0465% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.49 +/- 3.62   0.512% *  0.0131% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  11.76 +/- 3.05   0.645% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.50 +/- 3.59   0.177% *  0.0086% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 79.4:
    * O T QG2   VAL   70 - HB    VAL   70   2.11 +/- 0.01  97.478% * 99.8146% (0.80  10.0 10.00   4.31  79.45) =  99.995%  kept
        T QG2   VAL   70 - QG    GLN   17   8.97 +/- 2.76   2.522% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.77, residual support = 79.4:
    * O T HA    VAL   70 - QG1   VAL   70   2.46 +/- 0.21  85.261% * 98.1637% (1.00  10.0 10.00   4.77  79.45) =  99.961%  kept
        T HA    VAL   18 - QG1   VAL   70   8.33 +/- 3.23   3.872% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.031%
          HA    GLN  116 - QG1   VAL   70  12.14 +/- 3.14   1.535% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG1   VAL   70   9.44 +/- 2.04   2.829% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG1   VAL   70  20.71 +/- 2.60   0.171% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG1   VAL   70   8.80 +/- 3.66   4.615% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  12.60 +/- 2.28   0.875% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG1   VAL   70  17.76 +/- 2.16   0.275% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  14.41 +/- 2.33   0.566% *  0.0713% (0.73   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 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 79.4:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.02  92.700% * 98.7774% (1.00  10.0 10.00   5.18  79.45) =  99.968%  kept
        T QG    GLN   17 - QG1   VAL   70   9.02 +/- 2.90   2.777% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.030%
          HB2   MET   96 - QG1   VAL   70  10.36 +/- 2.01   1.092% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - QG1   VAL   70  10.55 +/- 2.24   1.825% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70  11.57 +/- 4.09   1.067% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.49 +/- 1.96   0.195% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  14.43 +/- 1.57   0.345% *  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 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 = 4.77, residual support = 79.5:
    * O T QG2   VAL   70 - QG1   VAL   70   2.02 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.77  79.45) = 100.000%  kept
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 79.3:
    * O T HA    VAL   70 - QG2   VAL   70   2.41 +/- 0.40  81.700% * 97.2124% (0.80  10.0 10.00   4.00  79.45) =  99.857%  kept
          HA    VAL   18 - QG2   VAL   70   7.46 +/- 3.42   6.407% *  1.6369% (0.55   1.0  1.00   0.49   0.02) =   0.132%  kept
          HA    GLN  116 - QG2   VAL   70  11.75 +/- 2.75   3.147% *  0.0972% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB2   SER   37 - QG2   VAL   70   8.77 +/- 1.51   3.551% *  0.0473% (0.39   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG2   VAL   70  19.35 +/- 2.50   0.267% *  0.5896% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   70  11.61 +/- 1.77   1.236% *  0.0843% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG2   VAL   70  16.72 +/- 1.79   0.346% *  0.2424% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.01 +/- 1.76   0.796% *  0.0706% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70   9.16 +/- 3.64   2.552% *  0.0192% (0.16   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 79.4:
    * O T HB    VAL   70 - QG2   VAL   70   2.11 +/- 0.01  92.175% * 98.7774% (0.80  10.0 10.00   4.31  79.45) =  99.972%  kept
        T QG    GLN   17 - QG2   VAL   70   8.97 +/- 2.76   2.385% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.026%
          HB2   MET   96 - QG2   VAL   70   8.51 +/- 1.99   2.180% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QG2   VAL   70  10.77 +/- 3.47   1.132% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.22 +/- 1.92   1.433% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  15.91 +/- 1.33   0.235% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  13.25 +/- 1.25   0.460% *  0.0246% (0.20   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 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 4.79, residual support = 78.3:
    * O T QG1   VAL   70 - QG2   VAL   70   2.02 +/- 0.06  71.504% * 77.0440% (0.80  10.0 10.00   4.77  79.45) =  97.494%  kept
          QD1   LEU   71 - QG2   VAL   70   5.20 +/- 0.88   6.203% * 20.9776% (0.74   1.0  1.00   5.90  34.90) =   2.303%  kept
          QG1   VAL   18 - QG2   VAL   70   6.86 +/- 3.32   5.908% *  1.8169% (0.78   1.0  1.00   0.48   0.02) =   0.190%  kept
          HB3   LEU   63 - QG2   VAL   70   5.38 +/- 1.74  14.224% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.011%
          QD1   LEU  123 - QG2   VAL   70   9.97 +/- 2.51   1.424% *  0.0711% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QG2   VAL   70  10.62 +/- 2.67   0.738% *  0.0467% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  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 = 139.4:
    * O T HB2   LEU   71 - HA    LEU   71   2.65 +/- 0.30  79.267% * 99.5520% (1.00  10.0 10.00   5.31 139.41) =  99.981%  kept
          QB    LYS+  65 - HA    LEU   71   9.21 +/- 2.44   7.816% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.010%
          HB3   GLN   17 - HA    LEU   71   9.54 +/- 5.92   6.334% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HA    LEU   71   9.64 +/- 1.18   2.022% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU   71   8.75 +/- 1.73   3.019% *  0.0340% (0.34   1.0  1.00   0.02   0.81) =   0.001%
          QB    LYS+ 102 - HA    LEU   71  16.26 +/- 3.51   0.589% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  18.97 +/- 2.61   0.273% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.55 +/- 2.95   0.680% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.4:
    * O T HB3   LEU   71 - HA    LEU   71   2.49 +/- 0.22  97.718% * 99.6783% (1.00  10.0 10.00   4.31 139.41) =  99.998%  kept
          QG2   THR   94 - HA    LEU   71  13.63 +/- 1.62   1.145% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    LEU   71  20.63 +/- 4.56   0.366% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  20.31 +/- 3.74   0.379% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  21.50 +/- 3.10   0.222% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  22.86 +/- 2.79   0.170% *  0.0447% (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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 4.24, residual support = 132.0:
    *   T QD1   LEU   71 - HA    LEU   71   3.72 +/- 0.46  49.799% * 81.5259% (1.00 10.00   4.21 139.41) =  92.974%  kept
          QG1   VAL   70 - HA    LEU   71   5.41 +/- 0.36  16.601% * 18.0070% (0.92  1.00   4.79  34.90) =   6.846%  kept
          QG1   VAL   18 - HA    LEU   71   7.42 +/- 5.54  25.946% *  0.2897% (0.84  1.00   0.09   0.02) =   0.172%  kept
          HB3   LEU   63 - HA    LEU   71   9.13 +/- 1.37   4.995% *  0.0278% (0.34  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   71  13.78 +/- 2.58   1.454% *  0.0815% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - HA    LEU   71  15.78 +/- 3.37   1.204% *  0.0681% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 4.11 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 = 0.995, support = 4.96, residual support = 138.1:
    *   T QD2   LEU   71 - HA    LEU   71   2.80 +/- 0.62  58.246% * 94.1743% (1.00 10.00   5.00 139.41) =  99.072%  kept
          QD1   LEU   67 - HA    LEU   71   5.53 +/- 1.90  22.467% *  1.6737% (0.45  1.00   0.79   0.02) =   0.679%  kept
          QD2   LEU   40 - HA    LEU   71   7.36 +/- 2.26  14.905% *  0.4591% (0.41  1.00   0.24   1.50) =   0.124%  kept
          HG3   LYS+  74 - HA    LEU   71  10.33 +/- 1.91   1.944% *  3.4656% (0.69  1.00   1.07   0.58) =   0.122%  kept
          QG2   ILE  119 - HA    LEU   71  12.91 +/- 2.67   1.013% *  0.0817% (0.87  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    LEU   71  13.16 +/- 2.42   0.757% *  0.0923% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  13.78 +/- 2.70   0.668% *  0.0533% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.4:
    * O T HA    LEU   71 - HB2   LEU   71   2.65 +/- 0.30  96.150% * 99.9402% (1.00  10.0 10.00   5.31 139.41) =  99.999%  kept
          HA    VAL   43 - HB2   LEU   71  10.76 +/- 2.19   2.502% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB2   LEU   71  12.48 +/- 3.65   1.348% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.438% * 99.6783% (1.00  10.0 10.00   4.97 139.41) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  14.68 +/- 2.21   0.261% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  21.99 +/- 4.86   0.091% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  21.63 +/- 4.40   0.106% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.92 +/- 3.52   0.050% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  23.16 +/- 3.28   0.054% *  0.0374% (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 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.13, residual support = 137.8:
    * O T QD1   LEU   71 - HB2   LEU   71   2.33 +/- 0.21  84.462% * 79.7455% (1.00  10.0 10.00   5.13 139.41) =  98.441%  kept
          QG1   VAL   70 - HB2   LEU   71   6.11 +/- 0.46   5.276% * 19.7976% (0.92   1.0  1.00   5.38  34.90) =   1.527%  kept
          QG1   VAL   18 - HB2   LEU   71   8.84 +/- 4.98   7.137% *  0.2834% (0.84   1.0  1.00   0.09   0.02) =   0.030%
          HB3   LEU  104 - HB2   LEU   71  15.57 +/- 4.12   1.144% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   71  14.21 +/- 2.81   0.579% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU   71  10.84 +/- 1.51   1.401% *  0.0272% (0.34   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.41, residual support = 138.9:
    * O T QD2   LEU   71 - HB2   LEU   71   3.01 +/- 0.32  68.995% * 97.4898% (1.00  10.0 10.00   5.43 139.41) =  99.629%  kept
          QD1   LEU   67 - HB2   LEU   71   7.26 +/- 1.59   9.774% *  1.7326% (0.45   1.0  1.00   0.79   0.02) =   0.251%  kept
          QD2   LEU   40 - HB2   LEU   71   7.29 +/- 2.54  16.239% *  0.4753% (0.41   1.0  1.00   0.24   1.50) =   0.114%  kept
          QD1   ILE  103 - HB2   LEU   71  13.40 +/- 3.01   1.312% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HB2   LEU   71  13.68 +/- 3.09   1.479% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB2   LEU   71  12.62 +/- 1.82   1.160% *  0.0670% (0.69   1.0  1.00   0.02   0.58) =   0.001%
          QG2   ILE  103 - HB2   LEU   71  13.92 +/- 3.33   1.043% *  0.0552% (0.57   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 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.4:
    * O T HA    LEU   71 - HB3   LEU   71   2.49 +/- 0.22  96.395% * 99.9402% (1.00  10.0 10.00   4.31 139.41) =  99.999%  kept
          HA    ALA   20 - HB3   LEU   71  11.77 +/- 4.08   1.535% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB3   LEU   71  10.72 +/- 2.17   2.070% *  0.0223% (0.22   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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  94.620% * 99.3538% (1.00  10.0 10.00   4.97 139.41) =  99.996%  kept
          QB    LYS+  65 - HB3   LEU   71  10.75 +/- 2.71   1.807% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HB3   LEU   71  10.14 +/- 6.08   1.712% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  15.27 +/- 3.47   0.231% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   9.28 +/- 2.19   0.935% *  0.0339% (0.34   1.0  1.00   0.02   0.81) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.34 +/- 1.41   0.428% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  16.44 +/- 3.99   0.189% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.69 +/- 2.95   0.076% *  0.0796% (0.80   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 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 = 3.91, residual support = 137.5:
    * O T QD1   LEU   71 - HB3   LEU   71   2.59 +/- 0.40  77.026% * 81.5021% (1.00  10.0 10.00   3.89 139.41) =  98.220%  kept
          QG1   VAL   70 - HB3   LEU   71   6.61 +/- 0.57   6.105% * 18.0309% (0.92   1.0  1.00   4.79  34.90) =   1.722%  kept
          QG1   VAL   18 - HB3   LEU   71   8.48 +/- 5.26  11.667% *  0.2896% (0.84   1.0  1.00   0.09   0.02) =   0.053%
          HB3   LEU  104 - HB3   LEU   71  16.43 +/- 3.96   2.227% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB3   LEU   71  14.66 +/- 2.93   1.056% *  0.0815% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  10.98 +/- 1.75   1.919% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 139.1:
    * O T QD2   LEU   71 - HB3   LEU   71   2.58 +/- 0.37  74.851% * 97.4898% (1.00  10.0 10.00   4.43 139.41) =  99.751%  kept
          QD1   LEU   67 - HB3   LEU   71   7.32 +/- 1.76   6.961% *  1.7326% (0.45   1.0  1.00   0.79   0.02) =   0.165%  kept
          QD2   LEU   40 - HB3   LEU   71   8.00 +/- 2.52  11.866% *  0.4753% (0.41   1.0  1.00   0.24   1.50) =   0.077%
          QG2   ILE  119 - HB3   LEU   71  13.97 +/- 3.33   3.232% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB3   LEU   71  12.05 +/- 1.54   1.255% *  0.0670% (0.69   1.0  1.00   0.02   0.58) =   0.001%
          QD1   ILE  103 - HB3   LEU   71  13.71 +/- 2.89   0.842% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  14.41 +/- 3.25   0.993% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 4.21, residual support = 139.4:
    *   T HA    LEU   71 - QD1   LEU   71   3.72 +/- 0.46  89.247% * 99.9402% (1.00 10.00   4.21 139.41) =  99.997%  kept
          HA    ALA   20 - QD1   LEU   71  11.39 +/- 2.75   4.134% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD1   LEU   71  10.35 +/- 1.71   6.618% *  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 = 5.13, residual support = 139.4:
    * O T HB2   LEU   71 - QD1   LEU   71   2.33 +/- 0.21  82.331% * 99.5520% (1.00  10.0 10.00   5.13 139.41) =  99.986%  kept
          QB    LYS+  65 - QD1   LEU   71  10.04 +/- 2.46   5.732% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.007%
          HB3   GLN   17 - QD1   LEU   71   9.34 +/- 4.86   3.722% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - QD1   LEU   71   8.32 +/- 2.10   4.984% *  0.0340% (0.34   1.0  1.00   0.02   0.81) =   0.002%
          QB    LYS+  66 - QD1   LEU   71  10.16 +/- 1.39   1.486% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  13.44 +/- 3.57   0.728% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD1   LEU   71  13.13 +/- 3.14   0.805% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.70 +/- 2.42   0.213% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 139.4:
    * O T HB3   LEU   71 - QD1   LEU   71   2.59 +/- 0.40  97.738% * 99.6783% (1.00  10.0 10.00   3.89 139.41) =  99.998%  kept
          QG2   THR   94 - QD1   LEU   71  13.32 +/- 1.71   1.019% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   LEU   71  19.65 +/- 4.16   0.337% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  19.26 +/- 3.77   0.382% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.09 +/- 2.83   0.246% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  20.64 +/- 2.57   0.277% *  0.0374% (0.38   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 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 = 0.999, support = 4.33, residual support = 139.2:
    * O T QD2   LEU   71 - QD1   LEU   71   2.04 +/- 0.06  84.365% * 97.8453% (1.00  10.0 10.00   4.33 139.41) =  99.833%  kept
          QD2   LEU   40 - QD1   LEU   71   6.44 +/- 2.24   7.364% *  1.8075% (0.41   1.0  1.00   0.90   1.50) =   0.161%  kept
          QG2   ILE  119 - QD1   LEU   71  11.93 +/- 3.22   2.548% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - QD1   LEU   71   6.97 +/- 1.63   3.895% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QD1   LEU   71  11.81 +/- 2.65   0.663% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD1   LEU   71  12.22 +/- 2.79   0.654% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.86 +/- 1.41   0.512% *  0.0672% (0.69   1.0  1.00   0.02   0.58) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.4:
    *   T HA    LEU   71 - QD2   LEU   71   2.80 +/- 0.62  87.121% * 99.9402% (1.00 10.00   5.00 139.41) =  99.996%  kept
          HA    VAL   43 - QD2   LEU   71   9.06 +/- 1.81   9.458% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - QD2   LEU   71  10.26 +/- 3.30   3.421% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 139.3:
    * O T HB2   LEU   71 - QD2   LEU   71   3.01 +/- 0.32  62.383% * 99.3538% (1.00  10.0 10.00   5.43 139.41) =  99.952%  kept
          QB    LYS+  65 - QD2   LEU   71   9.11 +/- 2.32  14.237% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.023%
          HB3   GLN   17 - QD2   LEU   71   8.90 +/- 5.10  11.379% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.012%
        T HG12  ILE  103 - QD2   LEU   71  12.80 +/- 2.99   1.479% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QD2   LEU   71   8.00 +/- 1.86   6.634% *  0.0339% (0.34   1.0  1.00   0.02   0.81) =   0.004%
          QB    LYS+  66 - QD2   LEU   71   9.55 +/- 1.45   2.437% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD2   LEU   71  13.70 +/- 3.15   1.076% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QD2   LEU   71  17.34 +/- 2.77   0.376% *  0.0796% (0.80   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 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 139.4:
    * O T HB3   LEU   71 - QD2   LEU   71   2.58 +/- 0.37  95.868% * 99.2790% (1.00  10.0 10.00   4.43 139.41) =  99.995%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  20.08 +/- 3.31   0.384% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   94 - QD2   LEU   71  12.35 +/- 1.87   1.966% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  18.51 +/- 4.58   0.677% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD2   LEU   71  18.12 +/- 4.14   0.747% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD2   LEU   71  19.35 +/- 2.75   0.357% *  0.0373% (0.38   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 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 4.34, residual support = 136.1:
    * O T QD1   LEU   71 - QD2   LEU   71   2.04 +/- 0.06  71.736% * 81.5139% (1.00  10.0 10.00   4.33 139.41) =  96.900%  kept
          QG1   VAL   70 - QD2   LEU   71   5.47 +/- 1.31  10.129% * 18.0190% (0.92   1.0  1.00   4.79  34.90) =   3.024%  kept
          QG1   VAL   18 - QD2   LEU   71   7.27 +/- 4.49  15.150% *  0.2896% (0.84   1.0  1.00   0.09   0.02) =   0.073%
          QD1   LEU  123 - QD2   LEU   71  11.86 +/- 3.08   1.054% *  0.0815% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU   71  13.52 +/- 3.36   0.684% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   9.18 +/- 1.83   1.248% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.51 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 = 3.97, residual support = 90.2:
    * O T HB2   PHE   72 - HA    PHE   72   2.53 +/- 0.10  93.217% * 93.4447% (0.64  10.0 10.00   3.98  90.40) =  99.581%  kept
          HA    ALA   64 - HA    PHE   72   7.01 +/- 0.77   5.613% *  6.5133% (0.55   1.0  1.00   1.60  47.11) =   0.418%  kept
          HB3   ASN   69 - HA    PHE   72  11.09 +/- 0.67   1.169% *  0.0420% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 4.53, residual support = 90.4:
    * O T HB3   PHE   72 - HA    PHE   72   2.54 +/- 0.11  85.509% * 99.4196% (0.66  10.0 10.00   4.53  90.40) =  99.985%  kept
          HB2   ASP-  44 - HA    PHE   72   9.20 +/- 2.00   4.369% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLU-  15 - HA    PHE   72  11.00 +/- 3.82   3.259% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HG12  ILE  119 - HA    PHE   72  14.52 +/- 3.63   3.691% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - HA    PHE   72  11.64 +/- 3.14   1.599% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - HA    PHE   72  17.02 +/- 3.03   0.537% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    PHE   72  20.46 +/- 1.91   0.178% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.61 +/- 2.05   0.858% *  0.0177% (0.12   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 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 3.98, residual support = 90.4:
    * O T HA    PHE   72 - HB2   PHE   72   2.53 +/- 0.10 100.000% *100.0000% (0.64  10.0 10.00   3.98  90.40) = 100.000%  kept
    Distance limit 4.04 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 = 4.24, residual support = 90.4:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  93.058% * 99.4196% (0.72  10.0 10.00   4.24  90.40) =  99.993%  kept
          QG    GLU-  15 - HB2   PHE   72  11.67 +/- 3.28   3.406% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HB2   PHE   72   8.14 +/- 1.59   1.373% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB2   PHE   72  13.64 +/- 3.26   1.230% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HB2   PHE   72  12.38 +/- 2.78   0.453% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          QB    MET   11 - HB2   PHE   72  17.90 +/- 3.39   0.138% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.51 +/- 1.89   0.074% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.13 +/- 1.84   0.269% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.53, residual support = 90.4:
    * O T HA    PHE   72 - HB3   PHE   72   2.54 +/- 0.11 100.000% *100.0000% (0.66  10.0 10.00   4.53  90.40) = 100.000%  kept
    Distance limit 3.73 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 = 4.23, residual support = 90.1:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  94.891% * 88.0901% (0.72  10.0 10.00   4.24  90.40) =  99.352%  kept
          HA    ALA   64 - HB3   PHE   72   5.83 +/- 0.95   4.589% * 11.8704% (0.63   1.0  1.00   3.10  47.11) =   0.648%  kept
          HB3   ASN   69 - HB3   PHE   72  10.16 +/- 0.81   0.520% *  0.0396% (0.33   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 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 = 173.0:
    * O T HB2   LEU   73 - HA    LEU   73   2.43 +/- 0.22  94.810% * 99.4108% (1.00  10.0 10.00   5.00 173.04) =  99.997%  kept
          QD    LYS+ 106 - HA    LEU   73  15.42 +/- 2.49   0.810% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LEU   73  15.13 +/- 2.05   0.578% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LEU   73  16.04 +/- 3.15   0.807% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    LEU   73  13.44 +/- 3.28   1.356% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.53 +/- 2.61   0.424% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  21.75 +/- 3.27   0.189% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.23 +/- 3.14   0.230% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.67 +/- 2.05   0.319% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  16.08 +/- 1.96   0.477% *  0.0221% (0.22   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.993, support = 5.26, residual support = 171.9:
    * O T HB3   LEU   73 - HA    LEU   73   2.71 +/- 0.29  71.105% * 95.5231% (1.00  10.0 10.00   5.27 173.04) =  99.156%  kept
          HB3   LYS+  74 - HA    LEU   73   4.79 +/- 0.37  15.384% *  3.6969% (0.18   1.0  1.00   4.42  42.01) =   0.830%  kept
          HB    VAL   42 - HA    LEU   73   8.82 +/- 2.06   3.459% *  0.0947% (0.99   1.0  1.00   0.02   0.19) =   0.005%
          HG3   LYS+  65 - HA    LEU   73  11.37 +/- 2.12   1.717% *  0.0947% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    LEU   73  12.23 +/- 2.77   1.196% *  0.0922% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LEU   73  14.71 +/- 3.15   1.449% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   73  14.07 +/- 3.31   1.370% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  11.37 +/- 1.89   1.229% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  18.77 +/- 4.38   0.406% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  16.31 +/- 2.61   0.394% *  0.0882% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   73  12.67 +/- 2.10   0.928% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.97 +/- 2.18   0.205% *  0.0953% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  14.29 +/- 1.48   0.546% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.50 +/- 3.81   0.380% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.51 +/- 2.73   0.231% *  0.0167% (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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.1, residual support = 166.6:
    *   T QD1   LEU   73 - HA    LEU   73   3.79 +/- 0.27  62.597% * 84.5606% (1.00 10.00   5.29 173.04) =  96.271%  kept
        T QD1   LEU   63 - HA    LEU   73   8.83 +/- 2.09  14.467% * 13.0970% (1.00 10.00   0.31   0.02) =   3.446%  kept
          QD2   LEU   63 - HA    LEU   73   9.23 +/- 1.77   8.003% *  1.7104% (0.57  1.00   0.71   0.02) =   0.249%  kept
        T QD1   LEU  104 - HA    LEU   73  13.97 +/- 2.55   2.429% *  0.4787% (0.57 10.00   0.02   0.02) =   0.021%
          QD2   LEU  115 - HA    LEU   73  12.50 +/- 3.01   5.645% *  0.0706% (0.84  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - HA    LEU   73  11.50 +/- 2.97   4.368% *  0.0677% (0.80  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HA    LEU   73  12.71 +/- 2.56   2.491% *  0.0148% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 172.9:
    *   T QD2   LEU   73 - HA    LEU   73   2.73 +/- 0.66  77.764% * 98.7970% (1.00 10.00   6.19 173.04) =  99.899%  kept
          QG1   VAL   43 - HA    LEU   73   7.11 +/- 2.28  10.760% *  0.6378% (0.28  1.00   0.46   6.06) =   0.089%
          HG    LEU   31 - HA    LEU   73  10.25 +/- 2.34   2.966% *  0.0953% (0.97  1.00   0.02   1.44) =   0.004%
          QG1   VAL   41 - HA    LEU   73   8.43 +/- 1.62   6.242% *  0.0443% (0.45  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 121 - HA    LEU   73  18.47 +/- 3.45   0.542% *  0.3370% (0.34 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LEU   73  12.96 +/- 2.88   1.726% *  0.0886% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 3.03 A violated in 0 structures by 0.15 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 173.0:
    * O T HA    LEU   73 - HB2   LEU   73   2.43 +/- 0.22 100.000% *100.0000% (1.00  10.0 10.00   5.00 173.04) = 100.000%  kept
    Distance limit 4.30 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 = 5.27, residual support = 172.8:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  91.691% * 92.1513% (1.00  10.0 10.00   5.27 173.04) =  99.836%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.48 +/- 0.66   3.478% *  3.5694% (0.18   1.0  1.00   4.42  42.01) =   0.147%  kept
        T HB3   PRO   93 - HB2   LEU   73  14.02 +/- 4.14   1.164% *  0.3459% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HB2   LEU   73  12.59 +/- 3.26   0.431% *  0.8893% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - HB2   LEU   73  12.60 +/- 1.87   0.307% *  0.9134% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HB2   LEU   73  16.55 +/- 2.75   0.178% *  0.8507% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HB2   LEU   73   9.97 +/- 2.10   0.865% *  0.0913% (0.99   1.0  1.00   0.02   0.19) =   0.001%
        T HG3   LYS+ 102 - HB2   LEU   73  20.29 +/- 2.41   0.067% *  0.9195% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HB2   LEU   73  19.06 +/- 4.81   0.221% *  0.0903% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  11.79 +/- 2.26   0.542% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  15.27 +/- 3.34   0.253% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  13.24 +/- 2.40   0.392% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  13.72 +/- 1.69   0.231% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.78 +/- 4.00   0.112% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.69 +/- 2.64   0.067% *  0.0161% (0.18   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 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 170.9:
    * O T QD1   LEU   73 - HB2   LEU   73   2.51 +/- 0.38  87.059% * 74.5851% (1.00  10.0 10.00   5.26 173.04) =  98.748%  kept
        T QD1   LEU   63 - HB2   LEU   73   9.71 +/- 2.09   3.289% * 24.8153% (1.00   1.0 10.00   0.67   0.02) =   1.241%  kept
        T QD1   LEU  104 - HB2   LEU   73  14.63 +/- 2.72   0.632% *  0.4223% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB2   LEU   73  10.98 +/- 3.48   3.740% *  0.0597% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB2   LEU   73  13.01 +/- 3.53   1.893% *  0.0623% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   LEU   73  10.28 +/- 1.78   1.892% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU   73  12.24 +/- 2.91   1.495% *  0.0131% (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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 6.15, residual support = 171.3:
    * O T QD2   LEU   73 - HB2   LEU   73   2.93 +/- 0.27  69.965% * 95.3967% (1.00  10.0 10.00   6.19 173.04) =  98.956%  kept
          QG1   VAL   43 - HB2   LEU   73   7.17 +/- 2.97  20.783% *  3.2875% (0.28   1.0  1.00   2.48   6.06) =   1.013%  kept
        T QD1   ILE   56 - HB2   LEU   73  13.21 +/- 3.42   1.751% *  0.8555% (0.90   1.0 10.00   0.02   0.02) =   0.022%
          HG    LEU   31 - HB2   LEU   73   9.84 +/- 2.90   3.138% *  0.0921% (0.97   1.0  1.00   0.02   1.44) =   0.004%
          QG1   VAL   41 - HB2   LEU   73   9.13 +/- 1.82   4.053% *  0.0428% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB2   LEU   73  19.80 +/- 3.57   0.310% *  0.3254% (0.34   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 5.27, residual support = 173.0:
    * O T HA    LEU   73 - HB3   LEU   73   2.71 +/- 0.29 100.000% *100.0000% (1.00  10.0 10.00   5.27 173.04) = 100.000%  kept
    Distance limit 3.92 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 = 5.27, residual support = 173.0:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  97.892% * 98.2609% (1.00  10.0 10.00   5.27 173.04) =  99.998%  kept
        T HD2   LYS+ 111 - HB3   LEU   73  21.20 +/- 3.93   0.081% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU   73  17.33 +/- 2.20   0.116% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.74 +/- 2.70   0.334% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.48 +/- 3.65   0.401% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.45 +/- 3.35   0.593% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.65 +/- 3.05   0.184% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  15.47 +/- 1.98   0.173% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.23 +/- 3.26   0.074% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  16.25 +/- 2.19   0.152% *  0.0219% (0.22   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 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 169.2:
    * O T QD1   LEU   73 - HB3   LEU   73   2.36 +/- 0.33  83.881% * 74.2079% (1.00  10.0 10.00   5.50 173.04) =  97.751%  kept
        T QD1   LEU   63 - HB3   LEU   73   9.28 +/- 2.18   5.710% * 24.6608% (1.00   1.0 10.00   0.66   0.02) =   2.211%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.82 +/- 3.51   2.647% *  0.5942% (0.80   1.0 10.00   0.02   0.02) =   0.025%
        T QD1   LEU  104 - HB3   LEU   73  14.11 +/- 2.82   1.305% *  0.4201% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU  115 - HB3   LEU   73  12.69 +/- 3.32   2.921% *  0.0620% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB3   LEU   73   9.89 +/- 1.91   2.490% *  0.0420% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   LEU   73  11.94 +/- 2.88   1.045% *  0.0130% (0.18   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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.986, support = 6.61, residual support = 169.9:
    * O T QD2   LEU   73 - HB3   LEU   73   2.82 +/- 0.36  66.297% * 94.3718% (1.00  10.0 10.00   6.73 173.04) =  98.105%  kept
        T QG1   VAL   43 - HB3   LEU   73   6.53 +/- 3.15  23.583% *  5.0882% (0.28   1.0 10.00   0.39   6.06) =   1.882%  kept
          HG    LEU   31 - HB3   LEU   73   9.56 +/- 3.22   4.679% *  0.0911% (0.97   1.0  1.00   0.02   1.44) =   0.007%
        T HG3   LYS+ 121 - HB3   LEU   73  19.33 +/- 3.75   0.507% *  0.3219% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - HB3   LEU   73   8.70 +/- 1.82   3.293% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB3   LEU   73  12.94 +/- 2.89   1.641% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.37 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 = 5.1, residual support = 166.7:
    *   T HA    LEU   73 - QD1   LEU   73   3.79 +/- 0.27  77.713% * 86.4057% (1.00 10.00   5.29 173.04) =  96.321%  kept
        T HA    LEU   73 - QD1   LEU   63   8.83 +/- 2.09  19.114% * 13.3828% (1.00 10.00   0.31   0.02) =   3.669%  kept
        T HA    LEU   73 - QD1   LEU  104  13.97 +/- 2.55   3.172% *  0.2115% (0.24 10.00   0.02   0.02) =   0.010%
    Distance limit 5.09 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 = 0.95, support = 5.03, residual support = 162.9:
    * O T HB2   LEU   73 - QD1   LEU   73   2.51 +/- 0.38  32.532% * 70.2907% (1.00  10.0 10.00   5.26 173.04) =  93.525%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.79 +/- 0.55  26.374% *  3.7752% (0.05   1.0 10.00   1.97  18.67) =   4.072%  kept
          QD    LYS+  99 - QD1   LEU  104   3.03 +/- 0.85  24.824% *  1.4600% (0.23   1.0  1.00   1.84  18.67) =   1.482%  kept
        T HB2   LEU   73 - QD1   LEU   63   9.71 +/- 2.09   0.941% * 23.3865% (1.00   1.0 10.00   0.67   0.02) =   0.900%  kept
          QG1   ILE   56 - QD1   LEU   73  12.15 +/- 3.48   3.314% *  0.0217% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG1   ILE   56 - QD1   LEU   63   6.74 +/- 1.54   2.561% *  0.0217% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - QD1   LEU  104  14.63 +/- 2.72   0.250% *  0.1721% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD1   LEU   63  11.73 +/- 3.19   0.583% *  0.0649% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   63  11.02 +/- 2.55   0.495% *  0.0665% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   63  10.00 +/- 2.39   0.669% *  0.0426% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  12.52 +/- 2.64   0.389% *  0.0665% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   63  11.36 +/- 2.26   0.550% *  0.0455% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   73  13.99 +/- 3.15   0.522% *  0.0426% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  12.10 +/- 2.41   0.319% *  0.0678% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  13.27 +/- 2.91   0.335% *  0.0630% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  12.74 +/- 1.74   0.277% *  0.0649% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  14.79 +/- 2.70   0.247% *  0.0678% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.46 +/- 0.87   0.857% *  0.0163% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   7.30 +/- 1.16   1.822% *  0.0071% (0.10   1.0  1.00   0.02   0.22) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   73  18.33 +/- 3.88   0.144% *  0.0630% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  14.08 +/- 2.33   0.233% *  0.0289% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.06 +/- 2.90   0.183% *  0.0289% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  12.78 +/- 2.96   0.321% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  13.75 +/- 5.39   0.402% *  0.0111% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.60 +/- 3.07   0.098% *  0.0455% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  13.32 +/- 2.12   0.264% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  16.87 +/- 2.90   0.120% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.87 +/- 1.10   0.084% *  0.0166% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  14.13 +/- 1.80   0.194% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.56 +/- 1.51   0.096% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.995, support = 5.37, residual support = 168.3:
    * O T HB3   LEU   73 - QD1   LEU   73   2.36 +/- 0.33  40.599% * 69.2688% (1.00  10.0 10.00   5.50 173.04) =  97.145%  kept
        T HB3   LEU   73 - QD1   LEU   63   9.28 +/- 2.18   2.704% * 23.0194% (1.00   1.0 10.00   0.66   0.02) =   2.150%  kept
          HB3   LYS+  74 - QD1   LEU   73   6.23 +/- 0.81   3.685% *  2.6681% (0.18   1.0  1.00   4.40  42.01) =   0.340%  kept
          HB    VAL   42 - QD1   LEU   73   8.54 +/- 1.96   1.789% *  2.7704% (0.99   1.0  1.00   0.81   0.19) =   0.171%  kept
          QB    LEU   98 - QD1   LEU  104   5.46 +/- 0.72   4.595% *  0.8939% (0.09   1.0  1.00   2.81  10.15) =   0.142%  kept
          HB    VAL   42 - QD1   LEU   63   5.62 +/- 1.92   6.459% *  0.0687% (0.99   1.0  1.00   0.02   0.02) =   0.015%
          HG3   LYS+  65 - QD1   LEU   63   8.06 +/- 1.07   1.483% *  0.0687% (0.99   1.0  1.00   0.02   3.17) =   0.004%
        T HB3   LEU   73 - QD1   LEU  104  14.11 +/- 2.82   0.599% *  0.1696% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QD1   LEU   63   8.28 +/- 2.58   7.272% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - QD1   LEU   73   9.66 +/- 3.32   1.112% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QD1   LEU   63  10.40 +/- 2.21   1.041% *  0.0679% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD1   LEU  104   8.02 +/- 1.86   3.309% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   73  12.38 +/- 3.30   2.092% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD1   LEU   73  11.68 +/- 2.16   0.665% *  0.0687% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   63   8.36 +/- 2.33   1.719% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QD1   LEU   63  15.58 +/- 3.69   0.936% *  0.0448% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   73   9.15 +/- 2.49   1.516% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD1   LEU   73  16.60 +/- 4.30   0.572% *  0.0679% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   63  11.48 +/- 2.97   0.582% *  0.0639% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU  104   7.93 +/- 1.29   1.727% *  0.0169% (0.24   1.0  1.00   0.02   0.22) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  13.29 +/- 2.68   0.438% *  0.0639% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  14.18 +/- 2.48   0.405% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  10.29 +/- 2.51   1.554% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  10.11 +/- 2.42   0.731% *  0.0260% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   8.04 +/- 0.53   1.212% *  0.0157% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   73  13.14 +/- 3.28   0.423% *  0.0448% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU  104   6.34 +/- 0.95   2.998% *  0.0042% (0.06   1.0  1.00   0.02  10.15) =   0.000%
          QB    ALA   84 - QD1   LEU   73  11.79 +/- 2.01   0.520% *  0.0236% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  15.90 +/- 2.91   0.167% *  0.0691% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.21 +/- 3.16   0.617% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.19 +/- 2.57   0.445% *  0.0236% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  16.97 +/- 3.09   0.142% *  0.0691% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63  10.44 +/- 3.00   0.904% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  12.30 +/- 2.32   0.437% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104  10.79 +/- 5.98   1.981% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.29 +/- 3.57   0.296% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.52 +/- 2.22   0.292% *  0.0164% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.89 +/- 3.79   0.342% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.10 +/- 1.66   0.139% *  0.0166% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.31 +/- 5.54   0.660% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.83 +/- 2.54   0.137% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.12 +/- 3.53   0.129% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.57 +/- 1.26   0.174% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.37 +/- 2.26   0.158% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  15.73 +/- 2.67   0.241% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.997, support = 6.26, residual support = 165.1:
    * O T QD2   LEU   73 - QD1   LEU   73   2.03 +/- 0.05  51.317% * 59.6635% (1.00  10.0 10.00   6.49 173.04) =  95.391%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.48 +/- 1.76   2.841% * 29.5647% (1.00   1.0 10.00   0.99   0.02) =   2.616%  kept
          HG    LEU   31 - QD1   LEU   73   6.53 +/- 3.74   7.328% *  6.3429% (0.97   1.0  1.00   2.20   1.44) =   1.448%  kept
          QG1   VAL   43 - QD1   LEU   73   5.75 +/- 2.84   9.983% *  0.8807% (0.28   1.0  1.00   1.06   6.06) =   0.274%  kept
          HG    LEU   31 - QD1   LEU   63  12.56 +/- 3.53   3.000% *  2.1899% (0.97   1.0  1.00   0.76   0.02) =   0.205%  kept
        T QG1   VAL   41 - QD1   LEU   73   7.06 +/- 1.99   2.045% *  0.2675% (0.45   1.0 10.00   0.02   0.02) =   0.017%
        T QG1   VAL   41 - QD1   LEU  104   6.73 +/- 1.79   8.007% *  0.0655% (0.11   1.0 10.00   0.02   0.02) =   0.016%
          QD1   ILE   56 - QD1   LEU   63   6.72 +/- 1.66   5.339% *  0.0535% (0.90   1.0  1.00   0.02   0.02) =   0.009%
        T QG1   VAL   41 - QD1   LEU   63   8.47 +/- 1.50   0.914% *  0.2675% (0.45   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 121 - QD1   LEU   63  10.45 +/- 3.05   0.680% *  0.2035% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 121 - QD1   LEU  104  10.18 +/- 6.48   2.372% *  0.0498% (0.08   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD1   LEU   73  11.67 +/- 3.00   1.528% *  0.0535% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   73 - QD1   LEU  104  11.22 +/- 1.98   0.469% *  0.1460% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - QD1   LEU   73  16.92 +/- 3.40   0.239% *  0.2035% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU   63   7.36 +/- 1.84   1.786% *  0.0166% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  12.78 +/- 3.44   0.913% *  0.0141% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.52 +/- 1.29   1.042% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.67 +/- 1.56   0.195% *  0.0131% (0.22   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 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 173.0:
    *   T HA    LEU   73 - QD2   LEU   73   2.73 +/- 0.66  99.281% * 99.6602% (1.00 10.00   6.19 173.04) =  99.998%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.47 +/- 3.45   0.719% *  0.3398% (0.34 10.00   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.996, support = 6.16, residual support = 172.2:
    * O T HB2   LEU   73 - QD2   LEU   73   2.93 +/- 0.27  71.285% * 91.3283% (1.00  10.0 10.00   6.19 173.04) =  99.527%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.15 +/- 0.59   3.810% *  7.3143% (0.22   1.0 10.00   0.73   4.39) =   0.426%  kept
        T QG1   ILE   56 - QD2   LEU   73  11.63 +/- 3.32   7.938% *  0.2819% (0.31   1.0 10.00   0.02   0.02) =   0.034%
          QD    LYS+  99 - QD2   LEU   73  12.06 +/- 1.73   1.260% *  0.0843% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD2   LEU   73  12.68 +/- 2.10   1.207% *  0.0864% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+ 121  19.80 +/- 3.57   0.316% *  0.3114% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  13.25 +/- 1.07   0.861% *  0.0961% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 121  13.18 +/- 6.38   2.635% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU   73  14.10 +/- 2.88   1.087% *  0.0554% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU   73  15.21 +/- 2.33   0.676% *  0.0881% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  18.24 +/- 3.67   0.534% *  0.0819% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG3   LYS+ 121  14.52 +/- 5.64   1.402% *  0.0295% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  14.07 +/- 2.04   0.834% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.32 +/- 2.68   0.454% *  0.0591% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  12.74 +/- 1.82   1.124% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  14.62 +/- 7.02   2.746% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  17.57 +/- 2.90   0.484% *  0.0279% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  17.64 +/- 6.90   0.802% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.56 +/- 1.91   0.240% *  0.0301% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.78 +/- 1.59   0.306% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.934, support = 6.66, residual support = 179.7:
    * O T HB3   LEU   73 - QD2   LEU   73   2.82 +/- 0.36  31.455% * 86.9402% (1.00  10.0 10.00   6.73 173.04) =  92.570%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.58 +/- 0.30  39.394% *  4.5743% (0.05  10.0 10.00   5.98 312.99) =   6.100%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.65 +/- 0.95   6.801% *  4.3258% (0.18   1.0  1.00   5.68  42.01) =   0.996%  kept
          HB    VAL   42 - QD2   LEU   73   7.35 +/- 2.02   3.134% *  2.8759% (0.99   1.0  1.00   0.67   0.19) =   0.305%  kept
          HG3   LYS+  33 - QD2   LEU   73   8.96 +/- 2.96   1.784% *  0.0839% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QB    LEU   98 - QD2   LEU   73   8.90 +/- 2.05   3.499% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QD2   LEU   73  10.22 +/- 2.08   0.981% *  0.0862% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QD2   LEU   73  12.39 +/- 3.01   1.422% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QD2   LEU   73  16.16 +/- 4.12   0.701% *  0.0852% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   73 - HG3   LYS+ 121  19.33 +/- 3.75   0.190% *  0.2965% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - QD2   LEU   73  15.77 +/- 3.84   0.357% *  0.1341% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD2   LEU   73   9.97 +/- 2.25   1.962% *  0.0217% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   73  12.43 +/- 2.93   1.089% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   73  13.37 +/- 2.12   0.411% *  0.0803% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  11.92 +/- 4.01   0.872% *  0.0294% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  15.85 +/- 2.43   0.224% *  0.0867% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  14.88 +/- 6.79   0.670% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   LYS+ 121  22.33 +/- 5.37   0.929% *  0.0192% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  12.46 +/- 1.71   0.434% *  0.0297% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  17.16 +/- 3.14   0.396% *  0.0294% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  19.63 +/- 8.24   0.289% *  0.0296% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  20.90 +/- 5.78   0.250% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  14.21 +/- 5.63   0.639% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.06 +/- 0.79   0.174% *  0.0291% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.44 +/- 1.05   0.955% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  16.62 +/- 2.34   0.197% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  16.16 +/- 6.14   0.385% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.94 +/- 1.57   0.150% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  19.02 +/- 3.35   0.186% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  22.47 +/- 2.52   0.070% *  0.0101% (0.12   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.35, residual support = 168.5:
    * O T QD1   LEU   73 - QD2   LEU   73   2.03 +/- 0.05  69.869% * 65.4483% (1.00  10.0 10.00   6.49 173.04) =  97.348%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.48 +/- 1.76   3.685% * 32.4313% (1.00   1.0 10.00   0.99   0.02) =   2.544%  kept
          QD2   LEU   63 - QD2   LEU   73   7.84 +/- 1.73   3.300% *  1.0056% (0.57   1.0  1.00   0.54   0.02) =   0.071%
          QD2   LEU  115 - QD2   LEU   73  10.76 +/- 3.23  12.426% *  0.0547% (0.84   1.0  1.00   0.02   0.02) =   0.014%
        T QD1   LEU  104 - HG3   LYS+ 121  10.18 +/- 6.48   3.143% *  0.1264% (0.19   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU  104 - QD2   LEU   73  11.22 +/- 1.98   0.601% *  0.3705% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   63 - HG3   LYS+ 121  10.45 +/- 3.05   0.984% *  0.2232% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - QD2   LEU   73   9.93 +/- 3.26   2.317% *  0.0524% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HG3   LYS+ 121  16.92 +/- 3.40   0.323% *  0.2232% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD2   LEU   73  10.80 +/- 2.96   1.397% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121  10.10 +/- 3.40   1.165% *  0.0126% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.93 +/- 0.64   0.621% *  0.0186% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.82 +/- 3.93   0.081% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  21.34 +/- 4.21   0.089% *  0.0039% (0.06   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 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.0:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.74 +/- 0.23  84.928% * 99.4757% (0.64  10.0 10.00   6.31 187.00) =  99.991%  kept
          HG2   LYS+  65 - HA    LYS+  74   9.92 +/- 2.01   2.820% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  74  12.53 +/- 1.97   1.358% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  74  10.16 +/- 2.02   2.075% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LYS+  74   9.45 +/- 1.61   3.768% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    LYS+  74  13.43 +/- 2.23   1.078% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LYS+  74  16.23 +/- 1.77   0.508% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  74  11.93 +/- 1.75   1.524% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  12.53 +/- 2.12   1.474% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  17.29 +/- 2.43   0.466% *  0.0466% (0.30   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 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.0:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.60 +/- 0.41  89.073% * 99.1206% (0.80  10.0 10.00   6.28 187.00) =  99.991%  kept
          HG13  ILE   19 - HA    LYS+  74  10.29 +/- 4.51   3.069% *  0.0915% (0.74   1.0  1.00   0.02   7.80) =   0.003%
          HG    LEU   71 - HA    LYS+  74  11.44 +/- 1.23   1.383% *  0.0989% (0.80   1.0  1.00   0.02   0.58) =   0.002%
        T HG3   LYS+ 111 - HA    LYS+  74  19.43 +/- 2.56   0.265% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  74  12.65 +/- 1.43   1.629% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  74  11.60 +/- 1.52   1.412% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+  74  15.08 +/- 2.55   0.816% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  11.74 +/- 2.75   1.747% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.05 +/- 1.66   0.315% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  19.22 +/- 2.26   0.292% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.776, support = 5.55, residual support = 180.2:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.47 +/- 0.47  47.796% * 92.2641% (0.80  10.0 10.00   5.57 187.00) =  95.598%  kept
          HB    VAL   75 - HA    LYS+  74   4.28 +/- 0.21  27.448% *  7.3273% (0.25   1.0  1.00   5.15  32.09) =   4.360%  kept
          QD1   LEU   67 - HA    LYS+  74   6.59 +/- 1.69  15.818% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.029%
          QD2   LEU   71 - HA    LYS+  74   8.78 +/- 0.97   3.455% *  0.0634% (0.55   1.0  1.00   0.02   0.58) =   0.005%
          QD2   LEU   40 - HA    LYS+  74  10.84 +/- 1.43   2.233% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          QG2   ILE  103 - HA    LYS+  74  13.84 +/- 1.15   0.848% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LYS+  74  12.88 +/- 1.27   1.107% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    LYS+  74  13.26 +/- 2.14   1.296% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.25 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.0:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.01 +/- 0.65  83.598% * 99.2156% (0.80 10.00   5.91 187.00) =  99.983%  kept
          QB    ALA   57 - HA    LYS+  74  10.63 +/- 2.40   7.628% *  0.0861% (0.69  1.00   0.02   0.02) =   0.008%
        T QD    LYS+  38 - HA    LYS+  74  17.41 +/- 2.28   0.898% *  0.3384% (0.27 10.00   0.02   0.02) =   0.004%
          QD    LYS+  65 - HA    LYS+  74   9.84 +/- 1.74   3.931% *  0.0562% (0.45  1.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - HA    LYS+  74  13.60 +/- 2.33   1.198% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  74  13.55 +/- 2.04   1.197% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  16.47 +/- 1.89   0.725% *  0.0602% (0.49  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  20.51 +/- 2.45   0.395% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.61 +/- 2.66   0.431% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.21 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.0:
    *   T QE    LYS+  74 - HA    LYS+  74   3.01 +/- 0.59  82.478% * 99.7560% (0.80 10.00   4.93 187.00) =  99.990%  kept
          HB2   PHE   72 - HA    LYS+  74   6.29 +/- 0.52  11.786% *  0.0308% (0.25  1.00   0.02   1.75) =   0.004%
          QB    CYS   50 - HA    LYS+  74  11.57 +/- 2.00   2.660% *  0.0995% (0.80  1.00   0.02   0.02) =   0.003%
          HB3   ASN   69 - HA    LYS+  74  14.32 +/- 1.52   1.214% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.52 +/- 0.75   1.863% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.90 A violated in 0 structures by 0.32 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.0:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.74 +/- 0.23  98.470% * 99.8966% (0.64  10.0 10.00   6.31 187.00) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  13.93 +/- 1.10   0.906% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  15.84 +/- 1.87   0.624% *  0.0278% (0.18   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 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 = 5.85, residual support = 186.9:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.00 +/- 0.08  85.455% * 98.2555% (0.80  10.0 10.00   5.85 187.00) =  99.945%  kept
          HG13  ILE   19 - HB2   LYS+  74  10.07 +/- 4.64   4.127% *  0.9635% (0.74   1.0  1.00   0.21   7.80) =   0.047%
          HG    LEU   71 - HB2   LYS+  74  11.62 +/- 1.82   2.157% *  0.0980% (0.80   1.0  1.00   0.02   0.58) =   0.003%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.01 +/- 2.87   0.305% *  0.3688% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB2   LYS+  74  12.06 +/- 2.03   1.681% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  13.77 +/- 1.83   1.218% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74  12.66 +/- 3.09   3.454% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  19.24 +/- 2.63   0.475% *  0.0980% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+  74  16.45 +/- 2.85   0.681% *  0.0441% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  19.92 +/- 2.89   0.448% *  0.0335% (0.27   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 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.797, support = 5.26, residual support = 185.7:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.66 +/- 0.14  74.179% * 91.5704% (0.80  10.0 10.00   5.27 187.00) =  99.168%  kept
          HB    VAL   75 - HB2   LYS+  74   6.17 +/- 0.54   6.922% *  6.5242% (0.25   1.0  1.00   4.62  32.09) =   0.659%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.23 +/- 2.35  10.847% *  0.8453% (0.74   1.0 10.00   0.02   0.02) =   0.134%  kept
        T QD2   LEU   40 - HB2   LYS+  74  11.94 +/- 2.49   2.895% *  0.8212% (0.72   1.0 10.00   0.02   0.02) =   0.035%
          QD2   LEU   71 - HB2   LYS+  74   8.86 +/- 1.44   3.012% *  0.0629% (0.55   1.0  1.00   0.02   0.58) =   0.003%
          QG2   ILE  103 - HB2   LYS+  74  15.38 +/- 1.79   0.505% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.42 +/- 1.86   0.724% *  0.0518% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  74  13.90 +/- 2.84   0.915% *  0.0344% (0.30   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.9:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.51 +/- 0.45  87.006% * 97.4681% (0.80  10.0 10.00   6.31 187.00) =  99.967%  kept
        T QD    LYS+  65 - HB2   LYS+  74   9.90 +/- 1.97   2.866% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.019%
          QB    ALA   57 - HB2   LYS+  74  11.13 +/- 2.87   7.438% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.007%
        T HB2   LYS+ 121 - HB2   LYS+  74  17.51 +/- 2.40   0.358% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.09 +/- 2.82   0.179% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HB2   LYS+  74  18.14 +/- 2.93   0.358% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  13.74 +/- 2.18   0.821% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  14.37 +/- 2.24   0.747% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.21 +/- 3.50   0.227% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.0:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.84 +/- 0.75  84.959% * 99.7560% (0.80 10.00   4.62 187.00) =  99.992%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.40 +/- 0.96  10.291% *  0.0308% (0.25  1.00   0.02   1.75) =   0.004%
          QB    CYS   50 - HB2   LYS+  74  11.99 +/- 2.52   1.632% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HB2   LYS+  74  14.69 +/- 2.41   1.484% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+  74  11.86 +/- 1.30   1.634% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.0:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.60 +/- 0.41  91.081% * 99.7790% (0.80  10.0 10.00   6.28 187.00) =  99.998%  kept
          HA    THR   94 - HG2   LYS+  74  12.40 +/- 1.00   1.134% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG2   LYS+  74  13.92 +/- 1.69   1.127% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  19.43 +/- 2.56   0.270% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.08 +/- 1.90   2.555% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.85 +/- 3.92   3.833% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.0:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.00 +/- 0.08  62.894% * 99.3145% (0.80  10.0 10.00   5.85 187.00) =  99.985%  kept
          HG2   LYS+  65 - HG2   LYS+  74   9.85 +/- 2.74   4.239% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   67 - HG2   LYS+  74   9.99 +/- 2.48   4.747% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG2   LYS+  74  14.09 +/- 2.51   1.022% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HG2   LYS+  74  11.11 +/- 2.08   1.541% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HG2   LYS+  74  13.67 +/- 2.72   1.104% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HG2   LYS+  74  16.63 +/- 2.64   0.517% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   9.05 +/- 2.21   4.020% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HG2   LYS+  74  13.49 +/- 2.37   1.495% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG2   LYS+  74  12.88 +/- 2.71   1.474% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG3   LYS+ 111   9.47 +/- 2.12  13.763% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.01 +/- 2.87   0.220% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  17.88 +/- 3.02   0.438% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.08 +/- 1.45   0.830% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  16.42 +/- 3.24   0.556% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  21.85 +/- 3.45   0.209% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  22.73 +/- 3.49   0.233% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  22.13 +/- 2.49   0.176% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.40 +/- 4.16   0.255% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  20.52 +/- 3.43   0.269% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.07 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 = 186.5:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  81.648% * 92.8651% (1.00  10.0 10.00   4.54 187.00) =  99.687%  kept
          HB    VAL   75 - HG2   LYS+  74   5.33 +/- 0.73   3.469% *  6.5161% (0.31   1.0  1.00   4.55  32.09) =   0.297%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.17 +/- 2.40  12.136% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.014%
          QD2   LEU   40 - HG2   LYS+  74  12.20 +/- 2.02   0.509% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   LYS+  74  10.15 +/- 1.34   0.505% *  0.0638% (0.69   1.0  1.00   0.02   0.58) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.99 +/- 1.41   0.146% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.55 +/- 2.98   0.319% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.07 +/- 1.54   0.187% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.16 +/- 3.64   0.078% *  0.0992% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  20.08 +/- 3.31   0.073% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.47 +/- 1.97   0.172% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.03 +/- 3.25   0.140% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.41 +/- 3.31   0.135% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.76 +/- 1.56   0.258% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.83 +/- 1.94   0.127% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.49 +/- 2.82   0.098% *  0.0031% (0.03   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 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.928, support = 5.53, residual support = 197.0:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.77 +/- 0.23  46.374% * 89.4618% (1.00  10.0 10.00   5.54 187.00) =  92.092%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.81 +/- 0.27  44.409% *  7.9861% (0.09  10.0 10.00   5.39 314.55) =   7.872%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.65 +/- 2.35   1.678% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.019%
          QB    ALA   57 - HG2   LYS+  74  10.35 +/- 2.92   3.546% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.006%
        T QD    LYS+  33 - HG2   LYS+  74  15.01 +/- 2.52   0.419% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.57 +/- 3.36   0.176% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  74  18.84 +/- 2.93   0.219% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  13.49 +/- 2.07   0.513% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.19 +/- 3.12   0.165% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  17.07 +/- 2.65   0.275% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.47 +/- 3.21   1.134% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.91 +/- 2.78   0.170% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.19 +/- 3.48   0.154% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  25.91 +/- 2.90   0.062% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  25.90 +/- 4.23   0.081% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.10 +/- 2.74   0.344% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  23.10 +/- 4.10   0.153% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.87 +/- 1.71   0.130% *  0.0054% (0.06   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 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.0:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.77 +/- 0.58  83.442% * 99.6238% (1.00  10.0 10.00   4.54 187.00) =  99.991%  kept
          QB    CYS   50 - HG2   LYS+  74  10.79 +/- 2.40   4.026% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   72 - HG2   LYS+  74   8.29 +/- 0.70   3.885% *  0.0307% (0.31   1.0  1.00   0.02   1.75) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.29 +/- 1.29   2.800% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  15.33 +/- 2.33   0.710% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  17.77 +/- 2.90   0.493% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HG3   LYS+ 111  14.59 +/- 4.26   3.631% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  24.51 +/- 4.49   0.333% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.47 +/- 4.75   0.349% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.54 +/- 3.36   0.331% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.0:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.47 +/- 0.47  96.366% * 99.8966% (0.80  10.0 10.00   5.57 187.00) =  99.998%  kept
          HA    THR   94 - HG3   LYS+  74  13.38 +/- 1.48   1.971% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HG3   LYS+  74  14.76 +/- 2.07   1.663% *  0.0278% (0.22   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 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.0:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.66 +/- 0.14  81.847% * 98.5261% (0.80  10.0 10.00   5.27 187.00) =  99.975%  kept
        T HG    LEU  115 - HG3   LYS+  74  14.12 +/- 3.14   0.920% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.010%
        T HG    LEU   40 - HG3   LYS+  74  13.99 +/- 2.94   2.107% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+  65 - HG3   LYS+  74   9.68 +/- 2.99   6.295% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   40 - HG3   LYS+  74  14.51 +/- 2.92   1.200% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HG3   LYS+  74  10.38 +/- 2.89   4.073% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HG3   LYS+  74  11.04 +/- 1.99   1.465% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  16.75 +/- 3.02   0.547% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG3   LYS+  74  13.40 +/- 3.07   1.108% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  18.12 +/- 3.52   0.438% *  0.0462% (0.38   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 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.0:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  96.544% * 99.1206% (1.00  10.0 10.00   4.54 187.00) =  99.998%  kept
          HG13  ILE   19 - HG3   LYS+  74  11.68 +/- 4.16   0.527% *  0.0915% (0.92   1.0  1.00   0.02   7.80) =   0.001%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.16 +/- 3.64   0.092% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.27 +/- 2.09   0.345% *  0.0989% (1.00   1.0  1.00   0.02   0.58) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  11.98 +/- 3.38   1.354% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.14 +/- 2.31   0.395% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.04 +/- 2.07   0.358% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.26 +/- 2.65   0.098% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.96 +/- 2.55   0.168% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.12 +/- 3.51   0.120% *  0.0338% (0.34   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 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.0:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.87 +/- 0.18  86.099% * 99.2156% (1.00  10.0 10.00   4.97 187.00) =  99.987%  kept
          QB    ALA   57 - HG3   LYS+  74  10.41 +/- 3.14   5.058% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - HG3   LYS+  74   9.48 +/- 2.56   5.317% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG3   LYS+  74  19.17 +/- 3.39   0.548% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HG3   LYS+  74  15.08 +/- 2.29   0.921% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  14.20 +/- 2.16   0.892% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  74  17.36 +/- 3.04   0.552% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.22 +/- 3.57   0.287% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  21.17 +/- 3.81   0.326% *  0.0562% (0.57   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.0:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.92 +/- 0.44  87.727% * 99.7560% (1.00  10.0 10.00   4.00 187.00) =  99.992%  kept
          QB    CYS   50 - HG3   LYS+  74  11.01 +/- 2.76   4.113% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   72 - HG3   LYS+  74   8.79 +/- 1.17   4.685% *  0.0308% (0.31   1.0  1.00   0.02   1.75) =   0.002%
          HB3   ASN   69 - HG3   LYS+  74  15.57 +/- 2.87   1.198% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  10.69 +/- 1.56   2.277% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.0:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.01 +/- 0.65  95.687% * 99.6012% (0.80 10.00   5.91 187.00) =  99.996%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.41 +/- 2.28   1.029% *  0.2184% (0.18 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HD2   LYS+  74  13.13 +/- 1.54   1.531% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  14.78 +/- 2.57   1.225% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  26.40 +/- 1.69   0.185% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.34 +/- 1.34   0.342% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 6.31, residual support = 186.9:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.51 +/- 0.45  76.559% * 98.0482% (0.80  10.0 10.00   6.31 187.00) =  99.959%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   9.47 +/- 3.04   3.698% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.027%
        T HG2   LYS+  65 - QD    LYS+  38  17.96 +/- 4.57   2.430% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.05 +/- 2.86   0.309% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - QD    LYS+  38  17.56 +/- 6.00   1.101% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HD2   LYS+  74  11.38 +/- 2.30   1.151% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HD2   LYS+  74   9.57 +/- 2.29   2.395% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   8.22 +/- 1.18   3.027% *  0.0241% (0.20   1.0  1.00   0.02   0.72) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  13.98 +/- 2.15   0.631% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.14 +/- 2.93   0.316% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HD2   LYS+  74  14.00 +/- 2.46   0.711% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QD    LYS+  38  16.65 +/- 4.70   1.575% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  16.69 +/- 2.38   0.333% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  13.43 +/- 2.23   0.857% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  13.31 +/- 2.28   0.821% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.23 +/- 1.38   2.271% *  0.0047% (0.04   1.0  1.00   0.02   0.72) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.24 +/- 1.20   0.552% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  21.54 +/- 3.17   0.248% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.29 +/- 2.47   0.666% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  20.20 +/- 3.32   0.350% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.25 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.9, support = 5.54, residual support = 190.2:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.77 +/- 0.23  33.320% * 88.7763% (1.00  10.0 10.00   5.54 187.00) =  89.218%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.16  52.538% *  6.6406% (0.07  10.0 10.00   5.59 221.17) =  10.523%  kept
          QG2   THR   39 - QD    LYS+  38   6.24 +/- 0.75   3.250% *  2.2019% (0.13   1.0  1.00   3.73  30.82) =   0.216%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.43 +/- 4.85   5.135% *  0.1942% (0.22   1.0 10.00   0.02   0.02) =   0.030%
        T HG3   LYS+  99 - HD2   LYS+  74  19.55 +/- 2.40   0.138% *  0.8858% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - HD2   LYS+  74  11.58 +/- 4.73   0.711% *  0.0820% (0.92   1.0  1.00   0.02   7.80) =   0.002%
        T HG3   LYS+  38 - HD2   LYS+  74  20.56 +/- 3.00   0.148% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HD2   LYS+  74  12.49 +/- 1.77   0.461% *  0.0886% (1.00   1.0  1.00   0.02   0.58) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  18.84 +/- 2.93   0.178% *  0.1947% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HD2   LYS+  74  20.19 +/- 3.12   0.102% *  0.3332% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  13.06 +/- 2.45   0.530% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.69 +/- 3.49   1.404% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  12.68 +/- 2.10   0.459% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  11.97 +/- 2.78   0.731% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  15.73 +/- 3.08   0.263% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.34 +/- 2.64   0.371% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  25.90 +/- 4.23   0.057% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.50 +/- 1.79   0.064% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  25.51 +/- 3.27   0.048% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.24 +/- 2.50   0.091% *  0.0039% (0.04   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.989, support = 4.96, residual support = 184.7:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.87 +/- 0.18  57.627% * 93.0957% (1.00  10.0 10.00   4.97 187.00) =  98.493%  kept
          HB    VAL   75 - HD2   LYS+  74   5.56 +/- 1.17  12.998% *  6.1912% (0.31   1.0  1.00   4.31  32.09) =   1.477%  kept
          QD1   LEU   67 - HD2   LYS+  74   6.91 +/- 2.12  10.881% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.017%
          QD2   LEU   40 - HD2   LYS+  74  12.15 +/- 2.10   1.854% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HD2   LYS+  74   9.67 +/- 1.38   1.865% *  0.0639% (0.69   1.0  1.00   0.02   0.58) =   0.002%
          QD2   LEU   40 - QD    LYS+  38   7.33 +/- 1.32   5.032% *  0.0183% (0.20   1.0  1.00   0.02   0.72) =   0.002%
        T HG3   LYS+  74 - QD    LYS+  38  19.17 +/- 3.39   0.363% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HD2   LYS+  74  15.33 +/- 1.79   0.495% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - QD    LYS+  38   9.64 +/- 2.62   3.076% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  14.43 +/- 1.95   0.805% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  13.54 +/- 2.77   0.841% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    LYS+  38  11.52 +/- 1.97   1.288% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  13.11 +/- 2.43   0.914% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.73 +/- 2.65   1.218% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.56 +/- 3.16   0.452% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  17.69 +/- 1.84   0.291% *  0.0063% (0.07   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 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.0:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.27 +/- 0.09  90.694% * 99.4851% (1.00  10.0 10.00   4.97 187.00) =  99.995%  kept
          QB    CYS   50 - HD2   LYS+  74  11.12 +/- 2.39   1.753% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  74 - QD    LYS+  38  17.19 +/- 2.68   0.343% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.15 +/- 0.76   2.273% *  0.0307% (0.31   1.0  1.00   0.02   1.75) =   0.001%
          HB3   ASN   69 - HD2   LYS+  74  14.65 +/- 2.49   0.575% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  10.82 +/- 4.10   2.613% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.25 +/- 1.79   1.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  13.39 +/- 2.29   0.549% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  24.23 +/- 2.77   0.088% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  25.44 +/- 3.18   0.114% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.0:
    *   T HA    LYS+  74 - QE    LYS+  74   3.01 +/- 0.59  95.417% * 99.8966% (0.80 10.00   4.93 187.00) =  99.998%  kept
          HA    THR   94 - QE    LYS+  74  11.65 +/- 1.14   2.214% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  12.76 +/- 1.87   2.368% *  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 = 0.801, support = 4.62, residual support = 187.0:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.84 +/- 0.75  66.215% * 99.4757% (0.80 10.00   4.62 187.00) =  99.973%  kept
          HG2   LYS+  65 - QE    LYS+  74   8.44 +/- 3.17  15.749% *  0.0557% (0.45  1.00   0.02   0.02) =   0.013%
          HB3   LEU   40 - QE    LYS+  74  13.03 +/- 2.22   1.737% *  0.1114% (0.90  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QE    LYS+  74   8.90 +/- 2.32   6.197% *  0.0310% (0.25  1.00   0.02   0.02) =   0.003%
          HG    LEU  115 - QE    LYS+  74  12.25 +/- 2.55   1.980% *  0.0853% (0.69  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QE    LYS+  74  10.33 +/- 2.12   2.381% *  0.0654% (0.53  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QE    LYS+  74  15.01 +/- 2.29   0.808% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.52 +/- 2.14   2.277% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  74  11.78 +/- 2.21   1.979% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  16.36 +/- 2.40   0.676% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.13 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.0:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.77 +/- 0.58  85.272% * 99.1206% (1.00  10.0 10.00   4.54 187.00) =  99.987%  kept
          HG13  ILE   19 - QE    LYS+  74  10.65 +/- 4.39   3.658% *  0.0915% (0.92   1.0  1.00   0.02   7.80) =   0.004%
        T HG3   LYS+ 111 - QE    LYS+  74  17.77 +/- 2.90   0.504% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QE    LYS+  74  11.34 +/- 1.65   2.634% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  74  11.75 +/- 1.57   1.461% *  0.0989% (1.00   1.0  1.00   0.02   0.58) =   0.002%
          QG2   THR   39 - QE    LYS+  74  11.87 +/- 2.04   1.497% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  14.01 +/- 2.61   1.538% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QE    LYS+  74  10.35 +/- 2.64   2.683% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+  74  18.11 +/- 2.36   0.375% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.01 +/- 3.01   0.378% *  0.0338% (0.34   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 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.989, support = 4.0, residual support = 184.5:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.92 +/- 0.44  58.643% * 93.7819% (1.00  10.0 10.00   4.00 187.00) =  98.396%  kept
          HB    VAL   75 - QE    LYS+  74   5.33 +/- 0.98  15.097% *  5.8027% (0.31   1.0  1.00   4.01  32.09) =   1.567%  kept
          QD1   LEU   67 - QE    LYS+  74   6.52 +/- 2.21  17.619% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.027%
          QD2   LEU   71 - QE    LYS+  74   9.12 +/- 1.14   2.788% *  0.0644% (0.69   1.0  1.00   0.02   0.58) =   0.003%
          QD2   LEU   40 - QE    LYS+  74  11.30 +/- 1.82   2.039% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  119 - QE    LYS+  74  12.09 +/- 2.62   2.094% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QE    LYS+  74  14.10 +/- 1.51   0.742% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QE    LYS+  74  13.33 +/- 1.58   0.978% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.0:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.27 +/- 0.09  85.443% * 99.2156% (1.00  10.0 10.00   4.97 187.00) =  99.987%  kept
          QB    ALA   57 - QE    LYS+  74   8.78 +/- 2.64   6.864% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          QD    LYS+  65 - QE    LYS+  74   8.30 +/- 2.56   5.193% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QE    LYS+  74  17.19 +/- 2.68   0.324% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QE    LYS+  74  13.76 +/- 2.64   0.858% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  12.84 +/- 1.68   0.570% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.64 +/- 2.09   0.320% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  18.75 +/- 2.97   0.196% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.95 +/- 3.28   0.232% *  0.0562% (0.57   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 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 = 0.994, support = 3.44, residual support = 82.4:
    * O T HB    VAL   75 - HA    VAL   75   2.83 +/- 0.21  79.003% * 93.6655% (1.00  10.0 10.00   3.44  82.86) =  99.185%  kept
          HG3   LYS+  74 - HA    VAL   75   5.82 +/- 0.45  10.339% *  5.7922% (0.31   1.0  1.00   4.01  32.09) =   0.803%  kept
        T QD1   ILE  119 - HA    VAL   75  13.99 +/- 2.23   1.204% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          QD1   LEU   67 - HA    VAL   75   8.56 +/- 1.79   6.715% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    VAL   75  12.27 +/- 1.76   1.402% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    VAL   75  13.68 +/- 1.48   0.900% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  17.18 +/- 1.88   0.437% *  0.0164% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - HA    VAL   75   2.82 +/- 0.23  96.572% * 99.9055% (1.00  10.0 10.00   4.00  82.86) =  99.997%  kept
          QD1   LEU  115 - HA    VAL   75  12.10 +/- 2.20   3.428% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.30 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 = 82.9:
    * O T QG2   VAL   75 - HA    VAL   75   2.22 +/- 0.26  97.379% * 99.9036% (1.00  10.0 10.00   4.00  82.86) =  99.997%  kept
          QG2   VAL   42 - HA    VAL   75   9.13 +/- 1.57   2.621% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.9:
    * O T HA    VAL   75 - HB    VAL   75   2.83 +/- 0.21  91.621% * 99.7003% (1.00  10.0 10.00   3.44  82.86) =  99.996%  kept
          HA    ALA   61 - HB    VAL   75   8.57 +/- 2.21   6.088% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  119 - HB    VAL   75  15.26 +/- 2.03   0.744% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HB    VAL   75  14.44 +/- 2.06   0.883% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.09 +/- 2.03   0.664% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 82.9:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  97.495% * 99.9055% (1.00  10.0 10.00   3.44  82.86) =  99.998%  kept
          QD1   LEU  115 - HB    VAL   75  10.63 +/- 2.15   2.505% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.08 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 = 82.8:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  97.154% * 99.0442% (1.00  10.0 10.00   3.31  82.86) =  99.972%  kept
        T QG2   VAL   42 - HB    VAL   75   7.47 +/- 1.36   2.846% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.028%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T HA    VAL   75 - QG1   VAL   75   2.82 +/- 0.23  89.681% * 99.6578% (1.00  10.0 10.00   4.00  82.86) =  99.984%  kept
        T HA    ALA   61 - QG1   VAL   75   8.30 +/- 1.96   5.569% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.014%
          HD3   PRO   58 - QG1   VAL   75  12.50 +/- 2.24   1.891% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - QG1   VAL   75  13.53 +/- 2.30   1.745% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.72 +/- 1.29   1.115% *  0.0135% (0.14   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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 82.7:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  80.166% * 94.0130% (1.00  10.0 10.00   3.44  82.86) =  99.718%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.30 +/- 0.69   3.544% *  5.7906% (0.31   1.0  1.00   3.99  32.09) =   0.272%  kept
          QD1   LEU   67 - QG1   VAL   75   7.33 +/- 1.61  11.035% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.007%
          QD1   ILE  119 - QG1   VAL   75  11.00 +/- 2.24   2.883% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QG1   VAL   75  10.03 +/- 1.70   1.185% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75  10.24 +/- 1.23   0.820% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  13.31 +/- 1.40   0.367% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 82.9:
    * O T QG2   VAL   75 - QG1   VAL   75   2.04 +/- 0.06  96.994% * 99.9036% (1.00  10.0 10.00   4.00  82.86) =  99.997%  kept
          QG2   VAL   42 - QG1   VAL   75   7.13 +/- 1.15   3.006% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.48 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 = 82.9:
    * O T HA    VAL   75 - QG2   VAL   75   2.22 +/- 0.26  96.085% * 99.8572% (1.00  10.0 10.00   4.00  82.86) =  99.999%  kept
          HA    ALA   61 - QG2   VAL   75   8.71 +/- 1.56   2.446% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   75  13.60 +/- 1.66   0.543% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG2   VAL   75  14.06 +/- 1.80   0.449% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.29 +/- 1.79   0.478% *  0.0135% (0.14   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 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.7:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  76.594% * 93.9980% (1.00  10.0 10.00   3.31  82.86) =  99.657%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.33 +/- 0.86   4.112% *  5.8056% (0.31   1.0  1.00   4.00  32.09) =   0.330%  kept
          QD1   LEU   67 - QG2   VAL   75   6.75 +/- 1.72  15.945% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.011%
          QD2   LEU   40 - QG2   VAL   75   9.33 +/- 1.42   1.198% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  11.67 +/- 1.75   0.881% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.24 +/- 1.69   0.865% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  13.11 +/- 2.01   0.406% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - QG2   VAL   75   2.04 +/- 0.06  97.522% * 99.9055% (1.00  10.0 10.00   4.00  82.86) =  99.998%  kept
          QD1   LEU  115 - QG2   VAL   75  10.04 +/- 1.96   2.478% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.79 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 = 2.83, residual support = 35.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.89 +/- 0.19  69.270% * 91.1563% (1.00  10.0 10.00   2.84  35.69) =  98.626%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.52 +/- 0.73  11.926% *  4.7941% (0.73   1.0  1.00   1.45   4.73) =   0.893%  kept
        T QE    LYS+  66 - HA    LEU   67   6.78 +/- 1.25   9.103% *  3.3296% (0.04   1.0 10.00   3.49  14.78) =   0.473%  kept
        T QE    LYS+  66 - HA    ASP-  76  15.43 +/- 3.06   0.890% *  0.2029% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASN   69 - HA    LEU   67   7.03 +/- 0.79   5.815% *  0.0147% (0.16   1.0  1.00   0.02   2.96) =   0.001%
        T QE    LYS+  33 - HA    ASP-  76  18.41 +/- 3.13   0.355% *  0.2029% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LEU   67  16.42 +/- 2.30   0.478% *  0.1496% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  14.81 +/- 2.47   0.844% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  19.79 +/- 1.86   0.249% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  17.30 +/- 3.25   0.506% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.49 +/- 2.70   0.281% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  20.31 +/- 2.71   0.282% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.62 +/- 0.24  89.012% * 99.2676% (0.87  10.0 10.00   2.98  35.69) =  99.995%  kept
        T HB3   ASP-  76 - HA    LEU   67  16.53 +/- 2.73   0.573% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  76  13.38 +/- 1.51   0.807% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  11.97 +/- 1.45   1.181% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  18.78 +/- 3.82   0.514% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP-  76  16.75 +/- 2.78   0.767% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.32 +/- 1.55   0.258% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.72 +/- 2.21   1.532% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  22.66 +/- 2.42   0.233% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  16.43 +/- 4.68   1.004% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  15.76 +/- 3.48   0.678% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.74 +/- 2.84   1.489% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  13.23 +/- 2.52   1.045% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.71 +/- 2.34   0.358% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  20.96 +/- 2.89   0.309% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  22.39 +/- 3.13   0.241% *  0.0025% (0.02   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 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 2.85, residual support = 35.5:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.89 +/- 0.19  85.592% * 94.4931% (1.00  10.0 10.00   2.84  35.69) =  99.318%  kept
        T HA    LEU   67 - QE    LYS+  66   6.78 +/- 1.25  11.242% *  4.8987% (0.05   1.0 10.00   3.49  14.78) =   0.676%  kept
        T HA    ASP-  76 - QE    LYS+  66  15.43 +/- 3.06   1.097% *  0.1965% (0.21   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU   67 - HB2   ASP-  76  16.42 +/- 2.30   0.590% *  0.2356% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  76 - QE    LYS+  33  18.41 +/- 3.13   0.439% *  0.1409% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.81 +/- 2.47   1.041% *  0.0351% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 2.83, residual support = 35.7:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  86.369% * 98.9845% (0.87  10.0 10.00   2.83  35.69) =  99.997%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.32 +/- 1.84   9.430% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  16.62 +/- 3.22   0.201% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  15.49 +/- 1.47   0.140% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.86 +/- 3.46   0.093% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  18.18 +/- 4.63   0.123% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.37 +/- 1.62   0.220% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  11.18 +/- 3.46   0.856% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.50 +/- 3.14   0.438% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.14 +/- 1.58   0.052% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  23.17 +/- 3.06   0.058% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.85 +/- 5.50   0.264% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  19.02 +/- 2.68   0.116% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.45 +/- 2.10   0.294% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  17.77 +/- 4.51   0.162% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  15.93 +/- 4.33   0.446% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  20.01 +/- 3.81   0.104% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  21.53 +/- 3.76   0.092% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.41 +/- 2.30   0.075% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  16.00 +/- 2.24   0.135% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  21.48 +/- 4.40   0.179% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  19.69 +/- 3.14   0.084% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.15 +/- 2.13   0.028% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  24.24 +/- 3.67   0.039% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.62 +/- 0.24  99.361% * 99.7513% (0.87  10.0 10.00   2.98  35.69) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  16.53 +/- 2.73   0.639% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.45 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 = 2.82, residual support = 35.6:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  90.019% * 97.5685% (0.87  10.0 10.00   2.83  35.69) =  99.796%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.79 +/- 1.44   9.472% *  1.8864% (0.63   1.0  1.00   0.53   4.73) =   0.203%  kept
        T QE    LYS+  66 - HB3   ASP-  76  16.62 +/- 3.22   0.210% *  0.2172% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  18.86 +/- 3.46   0.097% *  0.2172% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  21.08 +/- 2.28   0.060% *  0.0956% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  17.35 +/- 3.69   0.142% *  0.0151% (0.13   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 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   2.61 +/- 0.20  85.509% * 93.3529% (1.00  10.0 10.00   3.00  37.49) =  99.498%  kept
          HA    GLU-  79 - HA    THR   77   6.27 +/- 0.38   6.557% *  6.0531% (0.69   1.0  1.00   1.89   0.02) =   0.495%  kept
          HA    ASP-  44 - HA    THR   77   9.21 +/- 1.21   2.666% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77   9.98 +/- 1.55   1.877% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HA    THR   77  11.37 +/- 1.55   1.231% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HA    THR   77  17.53 +/- 2.83   0.368% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  15.73 +/- 2.60   0.512% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.95 +/- 3.10   0.686% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  21.39 +/- 1.93   0.176% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  29.15 +/- 4.47   0.091% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  26.80 +/- 4.13   0.146% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  23.93 +/- 3.47   0.183% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.48 +/- 0.30  95.916% * 99.7982% (1.00  10.0 10.00   3.00  37.49) =  99.998%  kept
          QB    ALA   88 - HA    THR   77   9.86 +/- 1.46   1.950% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    THR   77  13.86 +/- 4.30   1.324% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.70 +/- 3.54   0.511% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  22.02 +/- 2.42   0.173% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  24.88 +/- 2.75   0.126% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 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   2.61 +/- 0.20  95.988% * 99.9104% (1.00  10.0 10.00   3.00  37.49) =  99.998%  kept
          HD2   PRO   93 - HB    THR   77   9.97 +/- 1.96   3.177% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB    THR   77  15.16 +/- 3.34   0.835% *  0.0448% (0.45   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 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 = 2.71, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.02  97.049% * 99.5496% (1.00  10.0 10.00   2.71  37.49) =  99.997%  kept
        T QG2   THR   23 - HB    THR   77  15.07 +/- 3.56   0.538% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HB    THR   77   9.18 +/- 1.60   1.634% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB    THR   77  18.38 +/- 4.11   0.631% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  23.04 +/- 2.10   0.088% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  26.35 +/- 2.73   0.061% *  0.0446% (0.45   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 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   2.48 +/- 0.30  92.554% * 99.9104% (1.00  10.0 10.00   3.00  37.49) =  99.996%  kept
          HD2   PRO   93 - QG2   THR   77   7.53 +/- 1.42   6.247% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - QG2   THR   77  12.03 +/- 2.56   1.198% *  0.0448% (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 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.4:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.02  88.028% * 92.2347% (1.00  10.0 10.00   2.71  37.49) =  99.655%  kept
          HA    ASP-  44 - QG2   THR   77   6.45 +/- 0.76   3.834% *  7.2065% (0.99   1.0  1.00   1.58   0.02) =   0.339%  kept
          HA    GLU-  79 - QG2   THR   77   7.14 +/- 0.50   2.565% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77   8.59 +/- 1.26   1.738% *  0.0922% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - QG2   THR   77  10.12 +/- 1.19   0.972% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.20 +/- 1.75   0.367% *  0.0904% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  11.55 +/- 1.86   0.720% *  0.0449% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  11.03 +/- 2.89   1.170% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  17.96 +/- 1.57   0.166% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  24.82 +/- 4.00   0.092% *  0.0904% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  22.79 +/- 3.66   0.173% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.21 +/- 2.65   0.173% *  0.0285% (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 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 = 3.4, residual support = 39.4:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.84 +/- 0.22  85.708% * 95.6201% (1.00  10.0 10.00   3.42  39.62) =  99.452%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.10 +/- 0.83  10.847% *  4.1549% (0.73   1.0  1.00   1.20   4.73) =   0.547%  kept
          HB2   ASN   28 - HA    ASP-  78  20.16 +/- 5.03   0.683% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASP-  78  11.04 +/- 1.54   1.792% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  16.97 +/- 3.26   0.571% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.51 +/- 3.63   0.263% *  0.0619% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  25.27 +/- 2.41   0.136% *  0.0580% (0.61   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 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.6:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.69 +/- 0.23  93.184% * 99.8720% (1.00  10.0 10.00   2.31  39.62) =  99.997%  kept
          QB    CYS   50 - HA    ASP-  78  10.61 +/- 3.99   4.390% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASP-  78  10.83 +/- 1.48   1.844% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  24.36 +/- 3.53   0.360% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  23.45 +/- 2.75   0.221% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.41, residual support = 39.5:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.84 +/- 0.22  88.963% * 97.1937% (1.00  10.0 10.00   3.42  39.62) =  99.787%  kept
          HA    LEU   80 - HB2   ASP-  78   7.13 +/- 0.98   6.794% *  2.6739% (0.49   1.0  1.00   1.13   6.27) =   0.210%  kept
          HA    THR   23 - HB2   ASP-  78  15.34 +/- 6.34   2.298% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB2   ASP-  78  16.88 +/- 6.19   1.780% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - HB2   ASP-  78  23.87 +/- 1.66   0.166% *  0.0150% (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 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 = 2.81, residual support = 39.6:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  97.284% * 99.8720% (1.00  10.0 10.00   2.81  39.62) =  99.999%  kept
          QB    CYS   50 - HB2   ASP-  78  10.15 +/- 4.26   1.637% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HB2   ASP-  78   9.61 +/- 1.54   0.838% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  23.56 +/- 3.77   0.158% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  23.10 +/- 3.20   0.082% *  0.0154% (0.15   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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.6:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.69 +/- 0.23  91.836% * 99.8154% (1.00  10.0 10.00   2.31  39.62) =  99.995%  kept
          HA    LEU   80 - HB3   ASP-  78   7.51 +/- 0.61   4.678% *  0.0486% (0.49   1.0  1.00   0.02   6.27) =   0.002%
          HA    THR   23 - HB3   ASP-  78  15.29 +/- 6.17   2.111% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB3   ASP-  78  16.84 +/- 5.99   1.230% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.70 +/- 1.25   0.145% *  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 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 2.8, residual support = 39.5:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  92.011% * 96.1608% (1.00  10.0 10.00   2.81  39.62) =  99.717%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.34 +/- 1.28   6.949% *  3.6130% (0.73   1.0  1.00   1.03   4.73) =   0.283%  kept
          HB2   ASN   28 - HB3   ASP-  78  20.09 +/- 5.22   0.232% *  0.0506% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  12.87 +/- 2.10   0.462% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  15.66 +/- 3.79   0.218% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.92 +/- 4.01   0.091% *  0.0622% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  24.49 +/- 2.21   0.037% *  0.0583% (0.61   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 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 = 4.38, residual support = 56.5:
    * O T HB2   GLU-  79 - HA    GLU-  79   3.01 +/- 0.10  96.605% * 98.4729% (1.00  10.0 10.00   4.38  56.50) =  99.995%  kept
        T HG3   GLU-  36 - HA    GLU-  79  26.84 +/- 4.24   0.234% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HG2   MET   92 - HA    GLU-  79  16.79 +/- 2.26   0.730% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  79  17.85 +/- 4.43   0.766% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  18.47 +/- 6.36   1.007% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  24.92 +/- 4.02   0.229% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.59 +/- 3.01   0.428% *  0.0976% (0.99   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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.5:
    * O T QG    GLU-  79 - HA    GLU-  79   2.49 +/- 0.25  98.125% * 99.7507% (1.00  10.0 10.00   3.52  56.50) =  99.999%  kept
          QG    GLN   32 - HA    GLU-  79  20.76 +/- 5.02   1.016% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HA    GLU-  79  25.09 +/- 4.14   0.198% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  24.27 +/- 3.71   0.200% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  21.14 +/- 2.17   0.237% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.40 +/- 1.67   0.224% *  0.0308% (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 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.37, residual support = 56.4:
    * O T HA    GLU-  79 - HB2   GLU-  79   3.01 +/- 0.10  87.039% * 97.2549% (1.00  10.0 10.00   4.38  56.50) =  99.803%  kept
          HB    THR   77 - HB2   GLU-  79   7.07 +/- 0.62   7.324% *  2.2312% (0.69   1.0  1.00   0.67   0.02) =   0.193%  kept
          HA    ASP-  44 - HB2   GLU-  79  12.09 +/- 1.56   1.671% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  12.47 +/- 1.27   1.409% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLU-  79  16.94 +/- 3.46   1.057% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  18.23 +/- 3.41   0.558% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  79  19.58 +/- 3.58   0.514% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  21.39 +/- 2.14   0.278% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  27.29 +/- 4.12   0.150% *  0.0551% (0.57   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 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 = 3.5, residual support = 56.5:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.26 +/- 0.11  98.841% * 99.7507% (1.00  10.0 10.00   3.50  56.50) =  99.999%  kept
          QG    GLN   32 - HB2   GLU-  79  19.79 +/- 4.72   0.457% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  23.35 +/- 3.90   0.136% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  23.10 +/- 3.52   0.167% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.78 +/- 1.96   0.204% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  19.29 +/- 2.45   0.194% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.5:
    * O T HA    GLU-  79 - QG    GLU-  79   2.49 +/- 0.25  91.292% * 99.4064% (1.00  10.0 10.00   3.52  56.50) =  99.993%  kept
          HB    THR   77 - QG    GLU-  79   8.10 +/- 0.62   3.319% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - QG    GLU-  79  12.28 +/- 1.50   1.430% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG    GLU-  79  16.17 +/- 3.44   1.240% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG    GLU-  79  18.59 +/- 3.80   0.999% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  12.32 +/- 0.94   0.914% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG    GLU-  79  17.40 +/- 3.29   0.396% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  19.47 +/- 2.45   0.284% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  24.01 +/- 3.83   0.126% *  0.0563% (0.57   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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 56.5:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.26 +/- 0.11  97.790% * 99.5443% (1.00  10.0 10.00   3.50  56.50) =  99.998%  kept
          HG3   GLU-  25 - QG    GLU-  79  15.86 +/- 6.06   0.816% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QG    GLU-  79  15.97 +/- 2.17   0.391% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.84 +/- 3.63   0.432% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  18.56 +/- 2.86   0.239% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.80 +/- 3.90   0.161% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  21.10 +/- 3.89   0.171% *  0.0248% (0.25   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 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 = 5.71, residual support = 85.3:
    *   T QD1   LEU   80 - HA    LEU   80   2.48 +/- 0.58  89.599% * 98.6414% (0.65 10.00   5.71  85.32) =  99.973%  kept
        T QD2   LEU   98 - HA    LEU   80  15.22 +/- 4.35   1.714% *  0.9864% (0.65 10.00   0.02   0.02) =   0.019%
          QD2   LEU   63 - HA    LEU   80  16.46 +/- 3.24   1.637% *  0.1408% (0.92  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - HA    LEU   80  12.58 +/- 3.36   3.814% *  0.0520% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HA    LEU   80  15.20 +/- 3.67   1.499% *  0.1274% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    LEU   80  15.98 +/- 3.46   1.737% *  0.0520% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.37, residual support = 85.1:
    * O   HA    LEU   80 - HB2   LEU   80   2.75 +/- 0.22  83.754% * 96.5831% (1.00  10.0   5.38  85.32) =  99.721%  kept
          HA    ASP-  78 - HB2   LEU   80   6.77 +/- 0.73   6.997% *  2.3204% (0.49   1.0   0.99   6.27) =   0.200%  kept
          HA    THR   23 - HB2   LEU   80  14.39 +/- 8.08   6.627% *  0.9294% (0.80   1.0   0.24   0.51) =   0.076%
          HB    THR   23 - HB2   LEU   80  16.22 +/- 7.75   2.349% *  0.0932% (0.97   1.0   0.02   0.51) =   0.003%
          HA    ASP- 105 - HB2   LEU   80  22.05 +/- 4.62   0.273% *  0.0738% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 4.95, residual support = 85.3:
    * O T QD1   LEU   80 - HB2   LEU   80   3.00 +/- 0.34  88.057% * 97.5236% (0.65  10.0 10.00   4.96  85.32) =  99.945%  kept
        T QD2   LEU   98 - HB2   LEU   80  13.82 +/- 4.48   2.255% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.026%
        T QG2   VAL   41 - HB2   LEU   80  13.83 +/- 3.80   1.534% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.022%
          QD2   LEU   63 - HB2   LEU   80  15.27 +/- 3.75   2.315% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - HB2   LEU   80  11.52 +/- 3.41   3.596% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   LEU   80  14.80 +/- 3.92   2.243% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.06 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.646, support = 5.69, residual support = 85.0:
    *   T HA    LEU   80 - QD1   LEU   80   2.48 +/- 0.58  69.074% * 96.6936% (0.65 10.00   5.71  85.32) =  99.592%  kept
          HA    ASP-  78 - QD1   LEU   80   6.67 +/- 0.95  11.176% *  1.4872% (0.31  1.00   0.63   6.27) =   0.248%  kept
          HA    THR   23 - QD1   LEU   80  12.36 +/- 7.88  10.205% *  0.9305% (0.52  1.00   0.24   0.51) =   0.142%  kept
        T HA    LEU   80 - QD2   LEU   98  15.22 +/- 4.35   1.316% *  0.5543% (0.37 10.00   0.02   0.02) =   0.011%
          HB    THR   23 - QD1   LEU   80  13.84 +/- 7.61   3.148% *  0.0933% (0.62  1.00   0.02   0.51) =   0.004%
          HA    ASP- 105 - QD2   LEU   98   8.56 +/- 0.90   2.406% *  0.0424% (0.28  1.00   0.02   6.08) =   0.002%
          HA    THR   23 - QD2   LEU   98  14.75 +/- 3.56   0.943% *  0.0444% (0.30  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD1   LEU   80  19.66 +/- 4.89   0.521% *  0.0739% (0.49  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  15.60 +/- 3.27   0.650% *  0.0535% (0.36  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  16.11 +/- 2.67   0.561% *  0.0270% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 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 = 111.6:
    * O T QB    LYS+  81 - HA    LYS+  81   2.39 +/- 0.17  93.573% * 97.5498% (1.00  10.0 10.00   5.16 111.57) =  99.992%  kept
        T HG2   ARG+  54 - HA    LYS+  81  19.72 +/- 4.43   0.257% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HA    LYS+  81  10.26 +/- 2.62   2.100% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  81  25.91 +/- 3.60   0.119% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  18.70 +/- 4.51   0.340% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    LYS+  81  13.91 +/- 3.18   1.763% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  18.03 +/- 2.69   0.285% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  21.11 +/- 4.41   0.370% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  21.78 +/- 4.64   0.208% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  23.15 +/- 4.76   0.168% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  20.24 +/- 5.16   0.300% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  24.11 +/- 2.62   0.108% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.60 +/- 3.55   0.071% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  22.81 +/- 3.95   0.180% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  30.05 +/- 4.67   0.157% *  0.0151% (0.15   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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 111.6:
    * O T QG    LYS+  81 - HA    LYS+  81   2.55 +/- 0.58  98.352% * 98.1658% (1.00  10.0 10.00   5.26 111.57) =  99.995%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  20.61 +/- 3.97   0.339% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - HA    LYS+  81  24.90 +/- 5.43   0.191% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HA    LYS+  81  14.61 +/- 1.46   0.858% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  22.84 +/- 3.28   0.260% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 111.6:
    *   T QD    LYS+  81 - HA    LYS+  81   3.60 +/- 0.73  96.532% * 99.7569% (1.00 10.00   3.44 111.57) =  99.997%  kept
          HB    VAL   43 - HA    LYS+  81  14.51 +/- 2.90   2.616% *  0.0989% (0.99  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HA    LYS+  81  25.27 +/- 3.60   0.398% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  24.87 +/- 4.64   0.454% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.6:
    *   T QE    LYS+  81 - HA    LYS+  81   3.86 +/- 0.51  84.921% * 99.9825% (1.00 10.00   3.44 111.57) =  99.997%  kept
          HB3   TRP   49 - HA    LYS+  81  13.78 +/- 4.23  15.079% *  0.0175% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 5.22 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 = 111.6:
    * O T HA    LYS+  81 - QB    LYS+  81   2.39 +/- 0.17  94.248% * 98.7606% (1.00  10.0 10.00   5.16 111.57) =  99.994%  kept
        T HA    ARG+  54 - QB    LYS+  81  18.42 +/- 4.26   0.362% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ARG+  54 - HB3   PRO   52   7.77 +/- 0.33   2.986% *  0.0733% (0.07   1.0 10.00   0.02   1.92) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  18.70 +/- 4.51   0.343% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  21.48 +/- 2.54   0.199% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  14.63 +/- 2.53   0.632% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  18.04 +/- 5.56   0.545% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  27.89 +/- 4.54   0.089% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  31.22 +/- 3.91   0.079% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.61 +/- 3.63   0.191% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  22.30 +/- 2.12   0.136% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  28.08 +/- 1.98   0.066% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  35.27 +/- 2.64   0.033% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  26.86 +/- 3.37   0.090% *  0.0020% (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 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 = 5.49, residual support = 111.6:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.03  95.220% * 97.8497% (1.00  10.0 10.00   5.49 111.57) =  99.997%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  20.36 +/- 3.54   0.141% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  33 - QB    LYS+  81  23.12 +/- 4.98   0.107% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  17.98 +/- 3.99   0.236% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  20.23 +/- 2.56   0.125% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  12.43 +/- 5.42   3.445% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.21 +/- 1.53   0.348% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.99 +/- 3.29   0.037% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  22.23 +/- 3.03   0.100% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  17.30 +/- 3.40   0.241% *  0.0025% (0.03   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 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 111.6:
    * O T QD    LYS+  81 - QB    LYS+  81   2.19 +/- 0.15  98.597% * 99.6151% (1.00  10.0 10.00   3.93 111.57) =  99.999%  kept
          HB    VAL   43 - QB    LYS+  81  14.76 +/- 2.67   0.483% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  18.43 +/- 3.88   0.255% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  24.14 +/- 3.39   0.101% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.15 +/- 3.98   0.104% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  18.52 +/- 1.68   0.179% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  25.91 +/- 4.78   0.225% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  27.01 +/- 1.80   0.057% *  0.0114% (0.11   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 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 111.6:
    *     QE    LYS+  81 - QB    LYS+  81   2.92 +/- 0.71  91.556% * 99.8423% (1.00   3.93 111.57) =  99.995%  kept
          HB3   TRP   49 - QB    LYS+  81  13.21 +/- 4.34   3.595% *  0.0891% (0.18   0.02   0.02) =   0.004%
          QE    LYS+  81 - HB3   PRO   52  17.74 +/- 4.19   0.920% *  0.0584% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52   9.55 +/- 0.83   3.929% *  0.0102% (0.02   0.02   3.21) =   0.000%
    Distance limit 5.03 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 = 5.26, residual support = 111.6:
    * O T HA    LYS+  81 - QG    LYS+  81   2.55 +/- 0.58  82.932% * 98.8267% (1.00  10.0 10.00   5.26 111.57) =  99.993%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.15 +/- 0.76   4.083% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG2   LYS+  33  22.74 +/- 6.70   3.596% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+  33  24.90 +/- 5.43   0.161% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG2   LYS+ 106  20.61 +/- 3.97   0.286% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG    LYS+  81  18.20 +/- 3.81   0.438% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.48 +/- 0.64   3.096% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  18.20 +/- 5.75   0.809% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  28.00 +/- 4.55   0.105% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  12.21 +/- 2.75   1.688% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  31.03 +/- 4.05   0.069% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  23.35 +/- 5.47   0.257% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  21.33 +/- 3.40   0.269% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.13 +/- 3.68   0.124% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.59 +/- 2.57   0.245% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  21.25 +/- 2.90   0.207% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.65 +/- 1.91   0.141% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.03 +/- 2.86   0.412% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.72 +/- 4.36   0.552% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  21.77 +/- 3.09   0.227% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  18.82 +/- 3.51   0.302% *  0.0038% (0.04   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.786, support = 5.51, residual support = 124.2:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  35.484% * 56.3482% (1.00  10.0 10.00   5.49 111.57) =  65.205%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  28.020% * 26.0360% (0.46  10.0 10.00   5.64 154.24) =  23.791%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.30 +/- 0.12  26.974% * 12.3706% (0.22  10.0 10.00   5.36 135.65) =  10.882%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.52 +/- 0.72   1.354% *  2.5884% (0.20   1.0  1.00   4.66  23.02) =   0.114%  kept
        T QB    LYS+ 106 - QG    LYS+  81  17.77 +/- 2.40   0.068% *  0.5622% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG    LYS+  81  10.51 +/- 3.01   0.651% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.31 +/- 0.94   2.793% *  0.0101% (0.18   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  21.53 +/- 4.63   0.052% *  0.5438% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   6.01 +/- 1.59   2.255% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.68 +/- 1.47   0.045% *  0.2692% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.12 +/- 4.98   0.039% *  0.2698% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  17.98 +/- 3.99   0.088% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  20.36 +/- 3.54   0.052% *  0.1240% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.97 +/- 1.88   0.045% *  0.1197% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.21 +/- 1.40   0.279% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  20.32 +/- 4.04   0.098% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.62 +/- 3.93   0.076% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.98 +/- 2.97   0.210% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  21.19 +/- 4.11   0.048% *  0.0471% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.86 +/- 3.13   0.103% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.08 +/- 5.03   0.089% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.57 +/- 2.73   0.064% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.35 +/- 2.40   0.028% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.20 +/- 3.24   0.032% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.63 +/- 2.14   0.049% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  20.23 +/- 2.56   0.046% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  18.52 +/- 2.43   0.063% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.76 +/- 3.24   0.021% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.43 +/- 2.28   0.073% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  28.14 +/- 4.81   0.072% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.36 +/- 3.76   0.058% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.99 +/- 3.29   0.014% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.83 +/- 3.71   0.029% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.58 +/- 3.81   0.021% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.51 +/- 3.78   0.058% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  28.93 +/- 4.28   0.016% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.05 +/- 2.91   0.039% *  0.0108% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.28 +/- 1.73   0.125% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  22.98 +/- 5.04   0.088% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.06 +/- 2.10   0.046% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.67 +/- 2.79   0.065% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.07 +/- 4.25   0.055% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.97 +/- 2.52   0.018% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  20.40 +/- 3.82   0.053% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.98 +/- 2.69   0.043% *  0.0017% (0.03   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 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 = 4.12, residual support = 111.6:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  94.919% * 98.8994% (1.00  10.0 10.00   4.12 111.57) =  99.998%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.49 +/- 2.28   1.879% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  14.66 +/- 2.72   0.411% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  24.66 +/- 5.09   0.083% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  21.38 +/- 3.57   0.121% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  12.63 +/- 2.48   0.982% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.51 +/- 2.18   0.352% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.34 +/- 1.24   0.722% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.53 +/- 2.59   0.295% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  24.21 +/- 3.27   0.074% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.96 +/- 4.72   0.093% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  24.18 +/- 2.81   0.069% *  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 = 4.12, residual support = 111.6:
    * O   QE    LYS+  81 - QG    LYS+  81   2.22 +/- 0.17  97.113% * 99.9005% (1.00  10.0   4.12 111.57) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  13.03 +/- 3.95   1.492% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  24.39 +/- 4.85   0.109% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.59 +/- 4.63   1.074% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  20.73 +/- 3.08   0.150% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.22 +/- 4.17   0.062% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 111.6:
    *   T HA    LYS+  81 - QD    LYS+  81   3.60 +/- 0.73  95.147% * 99.7133% (1.00 10.00   3.44 111.57) =  99.998%  kept
          HA    ARG+  54 - QD    LYS+  81  18.93 +/- 3.93   1.200% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD    LYS+  81  19.47 +/- 5.67   1.706% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  29.43 +/- 4.49   0.302% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.31 +/- 4.24   0.301% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  22.38 +/- 2.73   0.701% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.73 +/- 3.74   0.642% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 111.6:
    * O T QB    LYS+  81 - QD    LYS+  81   2.19 +/- 0.15  95.959% * 98.9997% (1.00  10.0 10.00   3.93 111.57) =  99.997%  kept
          HB3   GLN   90 - QD    LYS+  81  10.52 +/- 3.06   1.547% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - QD    LYS+  81  18.43 +/- 3.88   0.248% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  19.21 +/- 4.24   0.248% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  18.70 +/- 2.47   0.211% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  14.53 +/- 3.03   0.608% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  22.41 +/- 4.26   0.153% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  21.25 +/- 4.01   0.172% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  22.78 +/- 4.54   0.128% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  25.64 +/- 3.61   0.121% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.55 +/- 4.84   0.197% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  24.57 +/- 2.35   0.081% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.23 +/- 3.09   0.054% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  29.30 +/- 4.93   0.149% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  22.50 +/- 4.02   0.126% *  0.0134% (0.14   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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 111.6:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.03  99.367% * 98.1658% (1.00  10.0 10.00   4.12 111.57) =  99.998%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  21.38 +/- 3.57   0.127% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  33 - QD    LYS+  81  24.66 +/- 5.09   0.087% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  15.38 +/- 1.82   0.311% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  22.74 +/- 3.38   0.108% *  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 = 111.6:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  98.194% * 99.9825% (1.00  10.0   3.00 111.57) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  13.22 +/- 4.12   1.806% *  0.0175% (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 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.6:
    *   T HA    LYS+  81 - QE    LYS+  81   3.86 +/- 0.51  94.240% * 99.7133% (1.00 10.00   3.44 111.57) =  99.998%  kept
          HA    ARG+  54 - QE    LYS+  81  18.17 +/- 4.04   1.738% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    LYS+  81  19.38 +/- 5.30   1.852% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  29.22 +/- 4.21   0.300% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.60 +/- 4.02   0.271% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  22.06 +/- 3.72   0.846% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  21.58 +/- 2.70   0.754% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.11 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 = 34.7:
    * O T HB2   SER   82 - HA    SER   82   2.78 +/- 0.24  80.906% * 97.1708% (0.95  10.0 10.00   2.96  34.68) =  99.964%  kept
        T HA    SER   48 - HA    SER   82  14.59 +/- 3.74   1.188% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.015%
        T HB2   SER   82 - HA    GLU-  25  18.93 +/- 9.02   2.005% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T HA    SER   48 - HA    GLU-  25  21.46 +/- 5.01   1.055% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   88 - HA    SER   82   8.34 +/- 0.62   3.231% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   6.99 +/- 0.52   5.480% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   70 - HA    SER   82  25.81 +/- 2.40   0.112% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  19.06 +/- 1.78   0.301% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HA    GLU-  25  15.20 +/- 2.29   1.087% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  24.18 +/- 7.94   0.334% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.70 +/- 0.84   1.181% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.56 +/- 3.95   0.381% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.14 +/- 0.88   0.839% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  25.52 +/- 7.56   0.260% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  25.39 +/- 6.60   0.147% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  28.06 +/- 7.02   0.149% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  25.65 +/- 6.10   0.682% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  23.01 +/- 5.92   0.294% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  27.67 +/- 3.13   0.130% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.65 +/- 4.73   0.237% *  0.0175% (0.17   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 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.7:
    * O T HB3   SER   82 - HA    SER   82   2.85 +/- 0.20  81.184% * 98.8194% (1.00  10.0 10.00   2.00  34.68) =  99.983%  kept
        T HB3   SER   82 - HA    GLU-  25  18.57 +/- 9.32   2.456% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.010%
          QB    SER   13 - HA    GLU-  25  16.53 +/- 5.67   8.509% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   89 - HA    SER   82  11.18 +/- 0.76   1.451% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  19.52 +/- 3.96   0.445% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.54 +/- 0.43   2.319% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    SER   82  20.39 +/- 4.10   0.352% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  24.40 +/- 6.87   0.281% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.40 +/- 4.05   0.233% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.50 +/- 2.24   0.420% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.44 +/- 4.98   0.127% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  24.11 +/- 5.26   1.053% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  27.17 +/- 4.02   0.123% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.17 +/- 1.46   0.407% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  29.13 +/- 5.06   0.108% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  22.75 +/- 5.52   0.241% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  26.06 +/- 2.92   0.129% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.89 +/- 5.01   0.161% *  0.0207% (0.21   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 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.7:
    * O T HA    SER   82 - HB2   SER   82   2.78 +/- 0.24  85.736% * 97.8439% (0.95  10.0 10.00   2.96  34.68) =  99.970%  kept
        T HA    GLU-  25 - HB2   SER   82  18.93 +/- 9.02   2.128% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.015%
        T HA    SER   82 - HA    SER   48  14.59 +/- 3.74   1.261% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.008%
        T HA    GLU-  25 - HA    SER   48  21.46 +/- 5.01   1.116% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  25 - HA    VAL   70  19.06 +/- 1.78   0.319% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  25.81 +/- 2.40   0.119% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.20 +/- 2.78   2.090% *  0.0128% (0.12   1.0  1.00   0.02   0.16) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.45 +/- 4.37   1.237% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.52 +/- 1.73   1.971% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48  10.75 +/- 1.08   1.610% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  17.57 +/- 3.57   0.788% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  23.00 +/- 6.52   0.242% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  20.05 +/- 4.90   0.397% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  19.87 +/- 3.41   0.841% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  24.81 +/- 2.45   0.145% *  0.0272% (0.26   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 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 = 34.7:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  90.765% * 96.7159% (0.95  10.0 10.00   2.33  34.68) =  99.989%  kept
        T HD3   PRO   52 - HA    SER   48   9.15 +/- 1.02   0.712% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER   13 - HA    VAL   70  14.15 +/- 2.68   0.776% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   SER   37 - HA    VAL   70  10.64 +/- 2.19   0.617% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   SER   82 - HA    SER   48  15.47 +/- 3.70   0.222% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    VAL   70   7.71 +/- 2.69   2.928% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  21.59 +/- 4.17   0.085% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    VAL   70  24.17 +/- 3.77   0.114% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  11.56 +/- 2.42   0.545% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.71 +/- 0.83   0.246% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  24.83 +/- 3.10   0.038% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   8.64 +/- 1.30   0.885% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.12 +/- 1.52   0.325% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  23.02 +/- 7.61   0.110% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  13.61 +/- 3.89   0.572% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.57 +/- 5.53   0.102% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.24 +/- 4.15   0.237% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  27.26 +/- 5.45   0.045% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.84 +/- 4.70   0.042% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  27.65 +/- 5.74   0.037% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  19.69 +/- 3.46   0.346% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  23.78 +/- 3.32   0.047% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.91 +/- 1.88   0.030% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.04 +/- 1.73   0.069% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  23.19 +/- 3.32   0.046% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  26.11 +/- 3.26   0.035% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.21 +/- 2.52   0.024% *  0.0365% (0.36   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 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.7:
    * O T HA    SER   82 - HB3   SER   82   2.85 +/- 0.20  95.990% * 99.1601% (1.00  10.0 10.00   2.00  34.68) =  99.980%  kept
        T HA    GLU-  25 - HB3   SER   82  18.57 +/- 9.32   2.889% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.018%
        T HA    CYS   53 - HB3   SER   82  21.34 +/- 4.32   0.640% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  22.87 +/- 6.81   0.310% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  24.79 +/- 2.55   0.170% *  0.0276% (0.28   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 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.7:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.676% * 97.6038% (0.95  10.0 10.00   2.33  34.68) =  99.996%  kept
        T HA    SER   48 - HB3   SER   82  15.47 +/- 3.70   0.241% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HB3   SER   82  20.55 +/- 4.14   0.110% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   SER   82  10.27 +/- 0.52   0.503% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  24.83 +/- 3.10   0.042% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  22.55 +/- 8.81   0.171% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  23.99 +/- 8.19   0.107% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  24.40 +/- 7.47   0.057% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  26.44 +/- 7.80   0.062% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  27.83 +/- 3.31   0.031% *  0.0424% (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 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 = 85.2:
    * O T HB    VAL   83 - HA    VAL   83   2.84 +/- 0.13  96.181% * 96.5761% (0.90  10.0 10.00   3.97  85.22) =  99.986%  kept
        T HD2   LYS+  74 - HA    VAL   83  16.25 +/- 2.09   0.610% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HA    VAL   83  20.63 +/- 2.61   0.293% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   57 - HA    VAL   83  18.09 +/- 2.73   0.458% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    VAL   83  24.56 +/- 4.40   0.205% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  19.20 +/- 6.60   0.792% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  26.30 +/- 4.12   0.161% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.48 +/- 1.50   0.487% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  24.64 +/- 3.98   0.232% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  22.33 +/- 6.41   0.387% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  30.55 +/- 3.76   0.101% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  31.47 +/- 3.92   0.094% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.2:
    * O T QG1   VAL   83 - HA    VAL   83   2.22 +/- 0.34  87.200% * 99.0822% (0.87  10.0 10.00   4.18  85.22) =  99.943%  kept
          QD2   LEU   80 - HA    VAL   83   6.21 +/- 0.90   7.908% *  0.5979% (0.80   1.0  1.00   0.13   0.14) =   0.055%
          QG2   ILE   89 - HA    VAL   83   7.07 +/- 0.57   3.235% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  13.89 +/- 3.59   0.899% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  19.62 +/- 4.54   0.210% *  0.1102% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.76 +/- 3.85   0.363% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  18.90 +/- 2.52   0.187% *  0.0873% (0.76   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 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 85.1:
    * O T QG2   VAL   83 - HA    VAL   83   2.78 +/- 0.34  86.961% * 98.3881% (1.00  10.0 10.00   4.33  85.22) =  99.813%  kept
          QD1   ILE   89 - HA    VAL   83   6.26 +/- 1.20  10.260% *  1.5405% (0.90   1.0  1.00   0.35   0.02) =   0.184%  kept
          QD2   LEU   31 - HA    VAL   83  14.88 +/- 6.16   2.779% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.2:
    * O T HA    VAL   83 - HB    VAL   83   2.84 +/- 0.13  96.158% * 97.8171% (0.90  10.0 10.00   3.97  85.22) =  99.990%  kept
        T HA    GLU- 100 - HB    VAL   83  21.87 +/- 5.87   0.406% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   58 - HB    VAL   83  21.76 +/- 3.05   0.348% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          HB2   CYS   53 - HB    VAL   83  16.88 +/- 3.77   2.823% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HB    VAL   83  23.96 +/- 5.34   0.265% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 4.25, residual support = 85.1:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.02  74.201% * 99.0822% (0.78  10.0 10.00   4.26  85.22) =  99.821%  kept
          QD2   LEU   80 - HB    VAL   83   4.17 +/- 1.03  21.730% *  0.5979% (0.72   1.0  1.00   0.13   0.14) =   0.176%  kept
          QG2   ILE   89 - HB    VAL   83   6.92 +/- 0.75   2.437% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  12.35 +/- 3.51   0.805% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB    VAL   83  15.37 +/- 3.96   0.479% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  19.01 +/- 4.15   0.160% *  0.1102% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  17.80 +/- 2.77   0.188% *  0.0873% (0.69   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 4.42, residual support = 85.1:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  93.227% * 98.3881% (0.90  10.0 10.00   4.42  85.22) =  99.915%  kept
          QD1   ILE   89 - HB    VAL   83   6.43 +/- 1.28   4.989% *  1.5405% (0.80   1.0  1.00   0.35   0.02) =   0.084%
          QD2   LEU   31 - HB    VAL   83  13.65 +/- 5.89   1.784% *  0.0714% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.16 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 = 4.18, residual support = 85.2:
    * O T HA    VAL   83 - QG1   VAL   83   2.22 +/- 0.34  94.533% * 99.7372% (0.87  10.0 10.00   4.18  85.22) =  99.997%  kept
          HB2   CYS   53 - QG1   VAL   83  14.44 +/- 3.18   4.443% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU- 100 - QG1   VAL   83  17.29 +/- 5.38   0.464% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.33 +/- 2.29   0.266% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  19.32 +/- 4.83   0.294% *  0.0197% (0.17   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 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.26, residual support = 85.2:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.02  96.430% * 99.3915% (0.78  10.0 10.00   4.26  85.22) =  99.998%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.98 +/- 2.02   0.716% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG1   VAL   83  15.02 +/- 5.39   0.716% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  15.88 +/- 2.16   0.274% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.22 +/- 2.13   0.394% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  18.96 +/- 3.70   0.205% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.45 +/- 3.70   0.147% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  14.09 +/- 1.39   0.371% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  17.10 +/- 5.37   0.406% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.93 +/- 3.60   0.183% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  23.98 +/- 3.24   0.083% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  24.74 +/- 3.39   0.076% *  0.0219% (0.17   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 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 = 0.865, support = 4.51, residual support = 83.2:
    * O T QG2   VAL   83 - QG1   VAL   83   2.05 +/- 0.04  82.925% * 86.4083% (0.87  10.0 10.00   4.61  85.22) =  97.588%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.25 +/- 1.37  13.069% * 13.5290% (0.78   1.0 10.00   0.35   0.02) =   2.408%  kept
          QD2   LEU   31 - QG1   VAL   83  11.01 +/- 5.21   4.005% *  0.0627% (0.63   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 85.2:
    * O T HA    VAL   83 - QG2   VAL   83   2.78 +/- 0.34  95.260% * 99.7372% (1.00  10.0 10.00   4.33  85.22) =  99.997%  kept
          HB2   CYS   53 - QG2   VAL   83  13.20 +/- 2.90   2.921% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QG2   VAL   83  17.64 +/- 4.50   0.736% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG2   VAL   83  17.23 +/- 2.40   0.532% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG2   VAL   83  19.41 +/- 4.28   0.551% *  0.0197% (0.20   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 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.42, residual support = 85.2:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  96.057% * 99.3915% (0.90  10.0 10.00   4.42  85.22) =  99.998%  kept
          HD2   LYS+  74 - QG2   VAL   83  11.25 +/- 2.03   0.884% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QG2   VAL   83  15.27 +/- 2.46   0.331% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  13.28 +/- 2.24   0.488% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  15.35 +/- 4.51   0.536% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  19.76 +/- 3.14   0.155% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  19.10 +/- 3.10   0.178% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.60 +/- 1.78   0.597% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.82 +/- 3.70   0.256% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  17.16 +/- 4.97   0.347% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  23.31 +/- 2.96   0.088% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  24.09 +/- 3.09   0.081% *  0.0219% (0.20   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 997 (0.60, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 4.58, residual support = 84.6:
    * O T QG1   VAL   83 - QG2   VAL   83   2.05 +/- 0.04  75.389% * 94.2114% (0.87  10.0 10.00   4.61  85.22) =  99.289%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.75 +/- 1.02   8.772% *  4.9430% (0.25   1.0 10.00   0.37   0.02) =   0.606%  kept
          QD2   LEU   80 - QG2   VAL   83   4.35 +/- 0.81  12.973% *  0.5685% (0.80   1.0  1.00   0.13   0.14) =   0.103%  kept
          QD1   LEU   73 - QG2   VAL   83   9.95 +/- 2.93   1.322% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - QG2   VAL   83  11.98 +/- 3.33   0.909% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  14.98 +/- 3.30   0.305% *  0.1048% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  13.89 +/- 2.33   0.331% *  0.0830% (0.76   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 998 (0.08, 0.08, 62.25 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 = 2.75, residual support = 17.5:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  92.379% * 99.1332% (0.93  10.0 10.00   2.75  17.52) =  99.994%  kept
          HB3   LEU   80 - HA    ALA   84   6.25 +/- 0.87   4.526% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HA    ALA   84  13.00 +/- 1.15   0.437% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  13.38 +/- 1.77   0.437% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  18.16 +/- 4.64   0.272% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  18.30 +/- 3.12   0.202% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  20.42 +/- 6.10   0.235% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  16.89 +/- 4.09   0.311% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  20.67 +/- 3.18   0.144% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  15.42 +/- 2.51   0.313% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.50 +/- 2.45   0.047% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  20.14 +/- 3.14   0.146% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  18.07 +/- 2.72   0.186% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  22.89 +/- 5.31   0.119% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  20.65 +/- 2.64   0.118% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  24.51 +/- 4.00   0.078% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  28.02 +/- 3.82   0.049% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.75, residual support = 17.5:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  92.964% * 99.6067% (0.93  10.0 10.00   2.75  17.52) =  99.992%  kept
          HB2   TRP   49 - QB    ALA   84  11.33 +/- 3.19   6.216% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.007%
          HA2   GLY  109 - QB    ALA   84  14.83 +/- 2.82   0.548% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QB    ALA   84  20.01 +/- 2.26   0.149% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  20.34 +/- 2.11   0.123% *  0.1030% (0.96   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 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 = 0.999, support = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.48 +/- 0.10  47.082% * 98.0072% (1.00  10.0 10.00   2.27  18.03) =  99.938%  kept
          HA    ALA   88 - HA    SER   85   2.61 +/- 0.80  48.999% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.029%
        T QB    SER   48 - HA    SER   85  11.40 +/- 3.31   2.015% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.026%
        T HD2   PRO   52 - HA    SER   85  17.36 +/- 3.69   0.428% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HA2   GLY   51 - HA    SER   85  19.57 +/- 3.80   0.261% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HA    SER   85  13.33 +/- 1.90   0.340% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  13.74 +/- 3.20   0.621% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  24.21 +/- 2.34   0.054% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  24.47 +/- 2.72   0.059% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  31.98 +/- 4.40   0.024% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  30.65 +/- 2.95   0.029% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  27.01 +/- 6.82   0.060% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  30.50 +/- 3.22   0.027% *  0.0403% (0.41   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 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.991, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.48 +/- 0.10  59.074% * 91.4194% (1.00  10.0 10.00   2.27  18.03) =  98.551%  kept
          HA    ASP-  86 - QB    SER   85   3.93 +/- 0.20  15.650% *  4.9647% (0.38   1.0  1.00   2.89  13.44) =   1.418%  kept
        T HA    SER   85 - QB    SER   48  11.40 +/- 3.31   2.317% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.009%
          HB    THR   77 - QB    SER   48   7.99 +/- 3.19   9.540% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE  103 - QB    SER   85  20.32 +/- 5.08   0.194% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HA1   GLY   51 - QB    SER   48   8.80 +/- 0.68   1.513% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   85   9.56 +/- 1.62   1.405% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  18.52 +/- 3.61   0.269% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HA    THR   39 - QB    SER  117  18.11 +/- 4.56   0.719% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   48  10.29 +/- 4.54   3.256% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  15.16 +/- 3.07   0.345% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.85 +/- 0.44   0.713% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  25.84 +/- 2.97   0.060% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  21.67 +/- 1.98   0.111% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  15.88 +/- 1.59   0.250% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.53 +/- 2.73   0.223% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  24.21 +/- 2.34   0.071% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.75 +/- 0.70   0.449% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  24.91 +/- 1.56   0.062% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  12.60 +/- 1.10   0.491% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  14.03 +/- 3.40   0.704% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  32.51 +/- 4.24   0.033% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.91 +/- 6.83   0.134% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.63 +/- 2.44   0.581% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  18.67 +/- 2.71   0.203% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.79 +/- 2.70   0.116% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  27.03 +/- 6.33   0.241% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  30.48 +/- 4.26   0.044% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.91 +/- 1.15   0.461% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  28.56 +/- 3.64   0.049% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  23.00 +/- 2.74   0.121% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  22.78 +/- 4.57   0.248% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  29.03 +/- 5.15   0.069% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.78 +/- 5.15   0.126% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  26.80 +/- 4.83   0.087% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  24.69 +/- 3.01   0.072% *  0.0053% (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 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   2.95 +/- 0.14  97.038% * 99.6568% (1.00  10.0 10.00   3.56  42.53) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  22.03 +/- 8.33   0.685% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASP-  86  14.44 +/- 2.14   1.440% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  23.49 +/- 3.09   0.279% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  27.87 +/- 8.16   0.291% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  25.33 +/- 6.65   0.267% *  0.0685% (0.69   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 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   2.69 +/- 0.21  97.052% * 98.9853% (1.00  10.0 10.00   2.31  42.53) =  99.998%  kept
        T HB3   ASP-  62 - HA    ASP-  86  25.82 +/- 2.47   0.129% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  13.66 +/- 1.65   0.839% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  16.30 +/- 5.63   1.054% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  25.53 +/- 8.41   0.263% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  21.77 +/- 3.81   0.277% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  20.39 +/- 3.09   0.276% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  31.29 +/- 7.62   0.108% *  0.0173% (0.18   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 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.95 +/- 0.14  82.317% * 94.7266% (1.00  10.0 10.00   3.56  42.53) =  99.276%  kept
          HA    SER   85 - HB2   ASP-  86   5.77 +/- 0.32  11.636% *  4.8658% (0.38   1.0  1.00   2.74  13.44) =   0.721%  kept
          HB    THR   77 - HB2   ASP-  86  10.08 +/- 1.81   3.235% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ASP-  86  14.86 +/- 2.99   0.920% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  21.52 +/- 6.47   0.451% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  18.40 +/- 6.90   1.154% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  29.35 +/- 5.00   0.114% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  31.75 +/- 5.77   0.098% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  34.04 +/- 5.34   0.075% *  0.0461% (0.49   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 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  98.526% * 99.6638% (1.00  10.0 10.00   2.85  42.53) =  99.999%  kept
          HB3   PHE   45 - HB2   ASP-  86  11.78 +/- 2.23   0.457% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  14.50 +/- 6.02   0.641% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  23.83 +/- 8.31   0.090% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  20.40 +/- 3.93   0.091% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  23.65 +/- 2.75   0.047% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  18.71 +/- 3.61   0.111% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  29.36 +/- 7.51   0.037% *  0.0175% (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 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   2.69 +/- 0.21  87.239% * 94.7262% (1.00  10.0 10.00   2.31  42.53) =  99.479%  kept
          HA    SER   85 - HB3   ASP-  86   5.92 +/- 0.32   8.860% *  4.8661% (0.38   1.0  1.00   2.74  13.44) =   0.519%  kept
          HB    THR   77 - HB3   ASP-  86  10.49 +/- 1.59   1.870% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   ASP-  86  15.48 +/- 2.82   0.653% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  21.79 +/- 6.32   0.330% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  18.66 +/- 6.80   0.784% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  31.91 +/- 6.06   0.093% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  29.59 +/- 5.17   0.092% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  34.20 +/- 5.78   0.078% *  0.0461% (0.49   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 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  99.174% * 99.6568% (1.00  10.0 10.00   2.85  42.53) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  20.46 +/- 8.37   0.204% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  13.02 +/- 1.89   0.402% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  26.20 +/- 8.17   0.081% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  22.00 +/- 2.86   0.064% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  23.60 +/- 6.85   0.075% *  0.0685% (0.69   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 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 = 74.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.30 +/- 0.11  99.786% * 99.9010% (1.00  10.0 10.00   4.31  74.44) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.17 +/- 3.26   0.214% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.96 +/- 0.04  99.249% * 99.8563% (1.00  10.0 10.00   4.31  74.44) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  23.81 +/- 6.45   0.573% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  25.13 +/- 2.58   0.178% *  0.0990% (0.99   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 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.30 +/- 0.11  99.478% * 99.8808% (1.00  10.0 10.00   4.31  74.44) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  18.90 +/- 5.23   0.309% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  20.82 +/- 2.53   0.155% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  29.29 +/- 3.96   0.059% *  0.0135% (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 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 = 74.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.842% * 99.8563% (1.00  10.0 10.00   4.00  74.44) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  23.18 +/- 5.95   0.110% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  23.19 +/- 2.68   0.049% *  0.0990% (0.99   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 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.96 +/- 0.04  98.991% * 99.3033% (1.00  10.0 10.00   4.31  74.44) =  99.998%  kept
        T HA    PHE   59 - HB3   TRP   87  20.36 +/- 2.33   0.342% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  104 - HB3   TRP   87  19.70 +/- 4.81   0.533% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  28.88 +/- 3.84   0.134% *  0.0134% (0.14   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 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.850% * 99.9010% (1.00  10.0 10.00   4.00  74.44) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.62 +/- 3.23   0.150% *  0.0990% (0.99   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 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 = 2.32, residual support = 12.0:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  96.467% * 99.6403% (1.00  10.0 10.00   2.32  12.04) =  99.998%  kept
          QG2   THR   77 - HA    ALA   88   8.06 +/- 1.24   2.239% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ALA   88  10.63 +/- 0.87   0.826% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  21.32 +/- 2.99   0.121% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  23.41 +/- 6.25   0.130% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  26.92 +/- 4.05   0.059% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  31.07 +/- 3.97   0.037% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.58 +/- 3.07   0.122% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 12.0:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  88.879% * 97.3461% (1.00  10.0 10.00   2.32  12.04) =  99.966%  kept
        T HD2   PRO   52 - QB    ALA   88  13.89 +/- 3.30   1.357% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.014%
        T HA    SER   48 - QB    ALA   88  12.05 +/- 2.89   1.145% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   SER   82 - QB    ALA   88  10.11 +/- 0.40   0.842% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   85 - QB    ALA   88   5.03 +/- 0.36   7.227% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  23.38 +/- 5.44   0.105% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  23.08 +/- 5.26   0.108% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  22.55 +/- 4.78   0.098% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  20.97 +/- 2.97   0.123% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  25.67 +/- 4.79   0.068% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  27.31 +/- 3.55   0.047% *  0.0271% (0.28   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 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 = 217.3:
    * O T HB    ILE   89 - HA    ILE   89   2.86 +/- 0.25  94.515% * 99.6008% (0.80  10.0 10.00   5.44 217.29) =  99.993%  kept
        T HB    VAL   43 - HA    ILE   89  12.81 +/- 3.68   1.991% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          QD    LYS+  81 - HA    ILE   89  10.96 +/- 1.57   2.299% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  15.56 +/- 2.20   0.706% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  23.59 +/- 4.02   0.240% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  23.31 +/- 3.92   0.250% *  0.0192% (0.15   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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 217.3:
    * O T QG2   ILE   89 - HA    ILE   89   2.37 +/- 0.29  96.855% * 99.9320% (1.00  10.0 10.00   6.45 217.29) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   8.31 +/- 1.19   2.915% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    ILE   89  19.38 +/- 2.99   0.230% *  0.0154% (0.15   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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 217.3:
    * O T HG12  ILE   89 - HA    ILE   89   3.13 +/- 0.48  95.653% * 99.3078% (1.00  10.0 10.00   5.90 217.29) =  99.997%  kept
        T HG3   LYS+  99 - HA    ILE   89  25.37 +/- 4.15   0.269% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HA    ILE   89  17.29 +/- 3.01   1.006% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  15.67 +/- 2.90   1.094% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    ILE   89  17.76 +/- 4.21   1.043% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  24.56 +/- 3.85   0.287% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  23.77 +/- 3.86   0.333% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  24.32 +/- 5.27   0.315% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 217.3:
    * O T HA    ILE   89 - HB    ILE   89   2.86 +/- 0.25  88.534% * 99.2091% (0.80  10.0 10.00   5.44 217.29) =  99.992%  kept
        T HA    ILE   89 - HB    VAL   43  12.81 +/- 3.68   1.865% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.005%
          HB3   SER   82 - HB    ILE   89  11.09 +/- 1.58   2.051% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   13 - HB    ILE   89  27.87 +/- 5.05   0.356% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  19.57 +/- 2.91   0.365% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.60 +/- 2.05   1.356% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.51 +/- 2.82   0.916% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.89 +/- 1.11   0.844% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  25.15 +/- 3.71   0.168% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  16.04 +/- 4.09   0.961% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  27.83 +/- 4.21   0.129% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.86 +/- 1.13   0.470% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.46 +/- 2.88   0.291% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  23.85 +/- 5.58   0.258% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  14.16 +/- 2.43   1.074% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.50 +/- 1.41   0.362% *  0.0043% (0.03   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 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 = 217.3:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.02  90.011% * 99.5317% (0.80  10.0 10.00   5.92 217.29) =  99.992%  kept
        T QG2   ILE   89 - HB    VAL   43   9.50 +/- 3.25   1.946% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HB    ILE   89   7.18 +/- 1.43   3.485% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    VAL   43   9.51 +/- 3.79   3.495% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.70 +/- 1.67   0.916% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  19.24 +/- 3.02   0.146% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 5.2, residual support = 217.3:
    * O T HG12  ILE   89 - HB    ILE   89   2.58 +/- 0.24  88.370% * 98.9436% (0.80  10.0 10.00   5.20 217.29) =  99.992%  kept
        T HG12  ILE   89 - HB    VAL   43  12.21 +/- 3.11   1.689% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HB    ILE   89  17.88 +/- 3.61   0.735% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   89  24.98 +/- 4.05   0.139% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  14.19 +/- 1.34   0.587% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  14.72 +/- 3.02   0.724% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  18.08 +/- 4.64   0.830% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.35 +/- 1.04   2.305% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  12.65 +/- 2.48   1.348% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  13.25 +/- 2.47   1.028% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  16.82 +/- 1.99   0.373% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  23.97 +/- 3.47   0.135% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  23.18 +/- 3.51   0.151% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.91 +/- 3.43   0.858% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  23.39 +/- 5.22   0.160% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  16.60 +/- 3.94   0.570% *  0.0067% (0.05   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 217.3:
    * O T HA    ILE   89 - QG2   ILE   89   2.37 +/- 0.29  95.324% * 99.5272% (1.00  10.0 10.00   6.45 217.29) =  99.997%  kept
          HB3   SER   82 - QG2   ILE   89   9.73 +/- 0.56   1.684% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - QG2   ILE   89  15.23 +/- 2.62   0.505% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  11.15 +/- 2.02   1.616% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  22.64 +/- 4.34   0.257% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  20.24 +/- 3.27   0.199% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  22.54 +/- 3.55   0.143% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  19.34 +/- 4.70   0.273% *  0.0154% (0.15   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 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 217.3:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.02  94.949% * 99.0138% (0.80  10.0 10.00   5.92 217.29) =  99.992%  kept
        T HB    VAL   43 - QG2   ILE   89   9.50 +/- 3.25   2.055% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LYS+  99 - QG2   ILE   89  18.89 +/- 3.34   0.164% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   8.56 +/- 1.46   1.973% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  18.65 +/- 3.22   0.171% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  11.95 +/- 1.99   0.688% *  0.0344% (0.28   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 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 = 6.41, residual support = 217.3:
    * O T HG12  ILE   89 - QG2   ILE   89   3.04 +/- 0.30  91.018% * 99.3078% (1.00  10.0 10.00   6.41 217.29) =  99.993%  kept
          HG3   LYS+ 111 - QG2   ILE   89  14.00 +/- 2.98   2.170% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - QG2   ILE   89  20.34 +/- 3.42   0.386% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   89  11.20 +/- 2.84   2.952% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QG2   ILE   89  14.10 +/- 3.99   1.824% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  19.04 +/- 3.20   0.500% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  18.34 +/- 3.20   0.588% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  18.69 +/- 4.84   0.562% *  0.0248% (0.25   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 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 0.999, support = 5.9, residual support = 217.2:
    * O T HA    ILE   89 - HG12  ILE   89   3.13 +/- 0.48  76.579% * 98.5945% (1.00  10.0 10.00   5.90 217.29) =  99.947%  kept
        T HB    THR   39 - HG3   LYS+  99   9.93 +/- 3.98   8.714% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.045%
          HB3   SER   82 - HG12  ILE   89  10.89 +/- 2.05   2.925% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   SER   37 - HG3   LYS+  99  12.11 +/- 4.39   4.441% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE   89 - HG3   LYS+  99  25.37 +/- 4.15   0.216% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG12  ILE   89  27.80 +/- 4.84   0.449% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  19.47 +/- 2.59   0.414% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.16 +/- 3.10   1.283% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.80 +/- 3.36   0.748% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  24.76 +/- 3.51   0.211% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  20.17 +/- 4.42   0.518% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  14.83 +/- 3.38   2.692% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  27.46 +/- 3.96   0.162% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  26.82 +/- 6.46   0.234% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  23.64 +/- 5.31   0.318% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.91 +/- 1.91   0.098% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.661, support = 5.27, residual support = 208.4:
    * O T HB    ILE   89 - HG12  ILE   89   2.58 +/- 0.24  34.333% * 78.0851% (0.80  10.0 10.00   5.20 217.29) =  79.202%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.57 +/- 0.27  36.127% * 14.8429% (0.15  10.0  1.00   5.21 174.46) =  15.842%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.82 +/- 0.26  27.458% *  6.1021% (0.06  10.0 10.00   6.43 174.46) =   4.950%  kept
        T HB    VAL   43 - HG12  ILE   89  12.21 +/- 3.11   0.621% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   43 - HG3   LYS+  99  14.19 +/- 1.34   0.217% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  24.98 +/- 4.05   0.049% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.22 +/- 2.16   0.744% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  22.52 +/- 3.77   0.071% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.64 +/- 1.87   0.082% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.81 +/- 2.59   0.194% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  22.77 +/- 3.85   0.066% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.99 +/- 3.72   0.039% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.4, residual support = 216.7:
    * O T QG2   ILE   89 - HG12  ILE   89   3.04 +/- 0.30  58.035% * 98.9412% (1.00  10.0 10.00   6.41 217.29) =  99.692%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.06 +/- 0.80  30.001% *  0.5691% (0.06   1.0  1.00   1.84  18.67) =   0.296%  kept
          QG1   VAL   83 - HG12  ILE   89   6.74 +/- 1.80  10.886% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.010%
        T QG2   ILE   89 - HG3   LYS+  99  20.34 +/- 3.42   0.238% *  0.4013% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG3   LYS+  99  18.62 +/- 5.35   0.506% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  18.82 +/- 2.93   0.334% *  0.0153% (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 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 = 95.0:
    * O T HB2   GLN   90 - HA    GLN   90   2.53 +/- 0.21  98.638% * 98.5005% (0.78  10.0 10.00   3.96  95.06) =  99.988%  kept
        T HB3   GLU-  79 - HA    GLN   90  13.22 +/- 2.10   0.954% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.011%
          HB3   GLU-  29 - HA    GLN   90  27.39 +/- 4.78   0.119% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  28.73 +/- 3.63   0.090% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  26.86 +/- 5.31   0.139% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  31.64 +/- 2.95   0.061% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 95.0:
    * O T HB3   GLN   90 - HA    GLN   90   2.94 +/- 0.16  85.085% * 99.0333% (0.82  10.0 10.00   3.96  95.06) =  99.986%  kept
          QB    LYS+  81 - HA    GLN   90   9.23 +/- 2.61   5.349% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.007%
          HB2   MET   92 - HA    GLN   90   7.55 +/- 1.02   6.202% *  0.0577% (0.48   1.0  1.00   0.02   0.17) =   0.004%
          QB    LYS+ 106 - HA    GLN   90  15.45 +/- 1.37   0.639% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  18.06 +/- 3.36   0.552% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    GLN   90  16.98 +/- 3.22   0.674% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLN   90  22.99 +/- 4.44   0.258% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  21.22 +/- 2.85   0.280% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.26 +/- 1.26   0.206% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  25.83 +/- 3.99   0.167% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  26.71 +/- 4.20   0.212% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.42 +/- 3.22   0.292% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  30.75 +/- 2.78   0.084% *  0.0990% (0.82   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.6, residual support = 95.1:
    * O T QG    GLN   90 - HA    GLN   90   2.55 +/- 0.40  92.474% * 99.3855% (0.88  10.0 10.00   3.60  95.06) =  99.997%  kept
          HG3   MET   92 - HA    GLN   90   8.26 +/- 1.23   6.090% *  0.0171% (0.15   1.0  1.00   0.02   0.17) =   0.001%
          HB2   ASP-  44 - HA    GLN   90  14.74 +/- 1.88   0.587% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLN   90  21.04 +/- 2.25   0.198% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  21.63 +/- 1.75   0.252% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.21 +/- 3.35   0.109% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  27.38 +/- 4.23   0.095% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  31.71 +/- 4.51   0.077% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  26.50 +/- 5.26   0.118% *  0.0247% (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 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.1:
    * O T HA    GLN   90 - HB2   GLN   90   2.53 +/- 0.21  96.163% * 98.8405% (0.78  10.0 10.00   3.96  95.06) =  99.991%  kept
        T HA    GLN   90 - HB3   GLU-  79  13.22 +/- 2.10   0.930% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA  110 - HB2   GLN   90  15.99 +/- 3.45   0.580% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  21.39 +/- 4.22   0.461% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.59 +/- 3.37   0.294% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.58 +/- 1.89   0.645% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  21.66 +/- 3.78   0.205% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  20.42 +/- 1.71   0.214% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.35 +/- 1.58   0.295% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.88 +/- 1.88   0.212% *  0.0113% (0.09   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 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 = 95.1:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  89.577% * 96.7995% (0.67  10.0 10.00   3.98  95.06) =  99.990%  kept
          HB    ILE   56 - HB3   GLU-  79  19.45 +/- 4.97   4.803% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   GLN   90 - HB3   GLU-  79  14.94 +/- 1.87   0.169% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB3   GLU-  79   7.37 +/- 0.76   1.335% *  0.0752% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.07 +/- 1.56   1.414% *  0.0564% (0.39   1.0  1.00   0.02   0.17) =   0.001%
          QB    LYS+  81 - HB2   GLN   90  10.53 +/- 2.67   0.643% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HB2   GLN   90  32.43 +/- 2.61   0.015% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  16.19 +/- 1.47   0.123% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  15.70 +/- 4.33   0.235% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  19.27 +/- 3.45   0.099% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  19.89 +/- 4.47   0.381% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  17.99 +/- 3.43   0.123% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.87 +/- 2.13   0.102% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  19.03 +/- 4.12   0.153% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  16.08 +/- 2.45   0.189% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  18.90 +/- 4.02   0.107% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  20.52 +/- 3.65   0.094% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  24.10 +/- 3.59   0.058% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.54 +/- 3.36   0.076% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  22.33 +/- 2.72   0.050% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  24.84 +/- 4.09   0.041% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  23.39 +/- 1.31   0.039% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  28.37 +/- 4.43   0.046% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  22.35 +/- 1.93   0.048% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  27.42 +/- 3.69   0.028% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.86 +/- 3.51   0.052% *  0.0358% (0.25   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 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.0:
    * O T QG    GLN   90 - HB2   GLN   90   2.44 +/- 0.13  90.774% * 96.7466% (0.72  10.0 10.00   3.92  95.06) =  99.987%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.67 +/- 2.27   0.863% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   GLU-  29 - HB3   GLU-  79  18.61 +/- 5.68   0.445% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB3   GLU-  79  23.93 +/- 3.95   0.137% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.21 +/- 1.22   0.804% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   GLN   90   8.66 +/- 1.89   3.591% *  0.0166% (0.12   1.0  1.00   0.02   0.17) =   0.001%
        T QB    MET   11 - HB2   GLN   90  33.36 +/- 4.68   0.057% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  20.88 +/- 3.52   0.951% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.51 +/- 1.76   0.378% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.57 +/- 4.73   0.454% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.45 +/- 1.53   0.410% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  19.00 +/- 3.96   0.292% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  28.29 +/- 4.90   0.079% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.89 +/- 2.10   0.127% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.90 +/- 3.47   0.079% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  29.07 +/- 4.07   0.076% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  23.02 +/- 1.68   0.120% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  16.71 +/- 1.92   0.364% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 95.1:
    * O T HA    GLN   90 - HB3   GLN   90   2.94 +/- 0.16  97.544% * 99.7400% (0.82  10.0 10.00   3.96  95.06) =  99.998%  kept
          HA    ALA  110 - HB3   GLN   90  15.79 +/- 3.39   1.107% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  19.53 +/- 3.38   0.513% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   90  19.82 +/- 1.81   0.358% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  17.88 +/- 1.51   0.477% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 95.1:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.711% * 98.2851% (0.67  10.0 10.00   3.98  95.06) =  99.998%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.94 +/- 1.87   0.188% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  38 - HB3   GLN   90  32.71 +/- 2.89   0.017% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  28.57 +/- 4.41   0.029% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  29.67 +/- 3.30   0.024% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  28.02 +/- 4.90   0.032% *  0.0744% (0.51   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 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 = 3.92, residual support = 95.1:
    * O T QG    GLN   90 - HB3   GLN   90   2.32 +/- 0.14  95.914% * 99.3855% (0.75  10.0 10.00   3.92  95.06) =  99.999%  kept
          HG3   MET   92 - HB3   GLN   90   8.61 +/- 2.05   3.245% *  0.0171% (0.13   1.0  1.00   0.02   0.17) =   0.001%
          HB2   ASP-  44 - HB3   GLN   90  16.07 +/- 1.70   0.351% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  22.35 +/- 2.11   0.120% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.53 +/- 3.49   0.072% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  28.65 +/- 4.09   0.068% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  22.67 +/- 1.59   0.111% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  32.99 +/- 4.61   0.043% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  27.67 +/- 4.82   0.076% *  0.0247% (0.19   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.6, residual support = 95.1:
    * O T HA    GLN   90 - QG    GLN   90   2.55 +/- 0.40  97.664% * 99.7400% (0.88  10.0 10.00   3.60  95.06) =  99.998%  kept
          HA    ALA  110 - QG    GLN   90  15.22 +/- 3.14   1.028% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QG    GLN   90  18.36 +/- 2.76   0.398% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  18.15 +/- 1.91   0.362% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  16.90 +/- 1.53   0.547% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.0:
    * O T HB2   GLN   90 - QG    GLN   90   2.44 +/- 0.13  98.637% * 97.8434% (0.72  10.0 10.00   3.92  95.06) =  99.987%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.67 +/- 2.27   0.937% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.011%
        T HG3   GLU-  29 - QG    GLN   90  24.81 +/- 5.00   0.140% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  25.36 +/- 4.50   0.123% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  26.51 +/- 3.36   0.096% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  29.32 +/- 2.98   0.067% *  0.0242% (0.18   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 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.748, support = 3.91, residual support = 94.7:
    * O T HB3   GLN   90 - QG    GLN   90   2.32 +/- 0.14  91.758% * 86.9614% (0.75  10.0 10.00   3.92  95.06) =  99.602%  kept
        T HB2   MET   92 - QG    GLN   90   8.32 +/- 1.33   2.567% * 12.2404% (0.44   1.0 10.00   0.48   0.17) =   0.392%  kept
          QB    LYS+  81 - QG    GLN   90   8.38 +/- 2.66   3.669% *  0.0934% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+ 106 - QG    GLN   90  14.64 +/- 1.55   0.429% *  0.0961% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  17.87 +/- 2.90   0.279% *  0.0985% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  16.74 +/- 2.95   0.338% *  0.0631% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  19.70 +/- 2.82   0.200% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  21.60 +/- 4.09   0.162% *  0.0674% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  21.07 +/- 1.53   0.138% *  0.0674% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  23.96 +/- 3.69   0.109% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  25.38 +/- 3.77   0.136% *  0.0548% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.91 +/- 3.01   0.160% *  0.0321% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  28.55 +/- 2.86   0.056% *  0.0870% (0.75   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 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 = 2.24, residual support = 14.5:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.01  97.541% * 98.3255% (1.00  10.0 10.00   2.24  14.47) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  21.96 +/- 1.37   0.095% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  12.45 +/- 3.49   1.107% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  18.87 +/- 3.19   0.190% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  14.83 +/- 2.97   0.689% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.10 +/- 3.69   0.087% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.61 +/- 2.17   0.125% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.54 +/- 2.76   0.077% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.33 +/- 1.21   0.054% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.64 +/- 2.08   0.035% *  0.0882% (0.90   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 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.5:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.01  88.882% * 99.0540% (1.00  10.0 10.00   2.24  14.47) =  99.996%  kept
          HA    PRO   52 - QB    ALA   91  11.12 +/- 3.59   2.857% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QB    ALA   91  12.31 +/- 1.75   0.580% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  10.41 +/- 2.02   1.151% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  21.96 +/- 1.37   0.086% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.69 +/- 1.01   3.783% *  0.0096% (0.10   1.0  1.00   0.02   1.16) =   0.000%
          HA    ALA  110 - QB    ALA   91  10.56 +/- 2.86   1.358% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  18.87 +/- 3.19   0.173% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  17.64 +/- 2.63   0.197% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.66 +/- 0.95   0.195% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.59 +/- 3.31   0.189% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.41 +/- 1.91   0.076% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  21.29 +/- 2.28   0.100% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  21.10 +/- 4.81   0.266% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  22.52 +/- 3.18   0.105% *  0.0021% (0.02   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 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   3.93 +/- 0.08 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.29) = 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 = 132.2:
    * O T HB2   PRO   93 - HD2   PRO   93   3.94 +/- 0.20  61.067% * 99.2584% (0.73  10.0 10.00   5.40 132.29) =  99.968%  kept
          HG3   PRO   52 - HD2   PRO   93   8.41 +/- 4.68  22.404% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.011%
          HB    VAL  108 - HD2   PRO   93   9.60 +/- 2.32   7.064% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.009%
          HB2   ARG+  54 - HD2   PRO   93  10.97 +/- 2.78   4.546% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   GLN   30 - HD2   PRO   93  23.00 +/- 2.65   0.373% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - HD2   PRO   93  13.68 +/- 3.33   2.453% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   PRO   93  15.89 +/- 1.92   1.145% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.28 +/- 2.27   0.402% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.09 +/- 0.75   0.197% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  27.66 +/- 2.60   0.203% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  33.92 +/- 4.58   0.144% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.99, residual support = 132.1:
    * O T HG2   PRO   93 - HD2   PRO   93   2.53 +/- 0.29  78.431% * 98.8640% (0.73  10.0 10.00   4.00 132.29) =  99.853%  kept
          HB3   PRO   52 - HD2   PRO   93   8.38 +/- 4.37  18.406% *  0.6085% (0.22   1.0  1.00   0.40   0.02) =   0.144%  kept
          QB    LYS+  65 - HD2   PRO   93  15.61 +/- 3.10   1.585% *  0.0826% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HD2   PRO   93  16.31 +/- 2.90   0.450% *  0.0887% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  18.64 +/- 1.26   0.232% *  0.0718% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.38 +/- 1.13   0.265% *  0.0560% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.89 +/- 2.71   0.181% *  0.0792% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.04 +/- 0.83   0.148% *  0.0913% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  21.54 +/- 2.42   0.180% *  0.0305% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  23.73 +/- 2.72   0.122% *  0.0275% (0.20   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 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  94.015% * 98.6805% (0.65  10.0 10.00   4.00 132.29) =  99.992%  kept
          HB3   CYS   53 - HD2   PRO   93   8.03 +/- 3.07   2.603% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          QB    PHE   55 - HD2   PRO   93   8.69 +/- 3.55   2.054% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HD2   PRO   93  20.13 +/- 3.62   0.123% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HD2   PRO   93  11.62 +/- 2.75   0.888% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  12.63 +/- 2.24   0.317% *  0.0579% (0.38   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 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   3.84 +/- 0.08  96.131% * 99.8223% (0.90  10.0 10.00   5.31 132.29) =  99.993%  kept
        T HA    PRO   93 - HD3   PRO   68  17.52 +/- 3.41   3.869% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.007%
    Distance limit 4.19 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 = 0.893, support = 5.37, residual support = 131.5:
    * O T HB2   PRO   93 - HD3   PRO   93   3.65 +/- 0.21  55.076% * 96.1724% (0.90  10.0 10.00   5.40 132.29) =  99.436%  kept
          HG3   PRO   52 - HD3   PRO   93   7.93 +/- 4.75  22.550% *  1.1535% (0.28   1.0  1.00   0.78   0.02) =   0.488%  kept
        T HB2   ARG+  54 - HD3   PRO   93  10.46 +/- 2.54   3.413% *  0.8342% (0.78   1.0 10.00   0.02   0.02) =   0.053%
        T HB2   PRO   93 - HD3   PRO   68  17.11 +/- 3.50   1.533% *  0.1712% (0.16   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL  108 - HD3   PRO   93  10.34 +/- 1.68   3.304% *  0.0770% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   ARG+  54 - HD3   PRO   68  20.36 +/- 4.14   0.850% *  0.1485% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HD3   PRO   68  15.34 +/- 3.27   1.836% *  0.0642% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  23.01 +/- 2.62   0.252% *  0.2674% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  13.49 +/- 3.27   2.189% *  0.0297% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   93  27.57 +/- 2.49   0.145% *  0.3609% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   93  15.93 +/- 2.01   0.872% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   68  21.42 +/- 4.78   0.669% *  0.0704% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  16.01 +/- 2.24   0.811% *  0.0476% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  33.77 +/- 4.39   0.090% *  0.3954% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   68  13.49 +/- 3.41   1.943% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  22.32 +/- 2.19   0.275% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.04 +/- 2.31   1.015% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  18.33 +/- 5.30   1.027% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.05 +/- 2.61   1.185% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.62 +/- 2.76   0.448% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.54 +/- 0.72   0.131% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  23.75 +/- 3.39   0.386% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.887, support = 3.95, residual support = 130.4:
    * O T HG2   PRO   93 - HD3   PRO   93   2.66 +/- 0.30  54.116% * 92.7440% (0.90  10.0 10.00   4.00 132.29) =  98.546%  kept
        T HB3   PRO   52 - HD3   PRO   93   7.98 +/- 4.31   8.893% *  5.4235% (0.28   1.0 10.00   0.38   0.02) =   0.947%  kept
          QB    LYS+  66 - HD3   PRO   68   4.32 +/- 1.45  24.337% *  1.0484% (0.14   1.0  1.00   1.42   0.02) =   0.501%  kept
          QB    LYS+  65 - HD3   PRO   93  15.45 +/- 3.22   0.964% *  0.0775% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  18.54 +/- 3.68   0.388% *  0.1651% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.09 +/- 0.98   3.571% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  16.21 +/- 2.95   0.359% *  0.0832% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68   9.86 +/- 0.95   1.379% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  18.88 +/- 1.34   0.174% *  0.0673% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  17.91 +/- 1.22   0.205% *  0.0525% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.55 +/- 0.85   0.114% *  0.0856% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  23.37 +/- 3.13   0.190% *  0.0509% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  12.25 +/- 4.12   2.016% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.86 +/- 2.90   0.123% *  0.0743% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  12.92 +/- 2.12   0.714% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  14.45 +/- 4.82   1.325% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  18.20 +/- 4.40   0.386% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  16.75 +/- 4.01   0.504% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.58 +/- 2.66   0.126% *  0.0286% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  23.69 +/- 3.07   0.116% *  0.0258% (0.25   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 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  99.005% * 99.5607% (0.65  10.0 10.00   4.00 132.29) =  99.999%  kept
          HA    THR   77 - HD3   PRO   93  11.27 +/- 1.97   0.513% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  20.13 +/- 3.62   0.130% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  20.02 +/- 2.38   0.084% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  18.99 +/- 3.28   0.145% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  18.23 +/- 2.87   0.123% *  0.0177% (0.12   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 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   2.32 +/- 0.09  92.355% * 99.2584% (1.00  10.0 10.00   5.98 132.29) =  99.995%  kept
          HB    VAL  108 - HA    PRO   93   9.43 +/- 1.75   1.906% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HA    PRO   93  11.40 +/- 2.09   1.217% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    PRO   93   9.98 +/- 3.67   2.724% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.74 +/- 2.54   0.201% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  12.99 +/- 2.46   0.737% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.80 +/- 1.27   0.382% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.95 +/- 2.20   0.234% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.23 +/- 0.98   0.088% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  24.71 +/- 2.17   0.091% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  30.93 +/- 4.06   0.065% *  0.0408% (0.41   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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.31, residual support = 132.2:
    * O T HG2   PRO   93 - HA    PRO   93   3.95 +/- 0.04  77.730% * 98.8641% (1.00  10.0 10.00   5.31 132.29) =  99.909%  kept
          HB3   PRO   52 - HA    PRO   93  10.21 +/- 3.14  10.058% *  0.6084% (0.31   1.0  1.00   0.40   0.02) =   0.080%
          QB    LYS+  65 - HA    PRO   93  13.49 +/- 2.55   3.747% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HA    PRO   93  14.25 +/- 2.74   2.507% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    PRO   93  15.44 +/- 1.34   1.428% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    PRO   93  14.93 +/- 1.17   1.538% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    PRO   93  18.64 +/- 2.56   0.978% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.98 +/- 0.74   0.714% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  20.28 +/- 1.84   0.624% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  20.95 +/- 3.01   0.676% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 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   3.93 +/- 0.08  86.011% * 99.7770% (0.73  10.0 10.00   5.31 132.29) =  99.980%  kept
          HA    THR   77 - HA    PRO   93   8.85 +/- 1.72  12.609% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.018%
          HB2   TRP   27 - HA    PRO   93  16.98 +/- 2.11   1.380% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.2:
    * O T HD3   PRO   93 - HA    PRO   93   3.84 +/- 0.08  61.777% * 98.6805% (0.90  10.0 10.00   5.31 132.29) =  99.900%  kept
        T HD3   PRO   68 - HA    PRO   93  17.52 +/- 3.41   2.644% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.041%
          HB3   CYS   53 - HA    PRO   93   7.48 +/- 2.62  21.620% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.039%
          QB    PHE   55 - HA    PRO   93   9.57 +/- 2.55   8.280% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.012%
          HD2   ARG+  54 - HA    PRO   93  12.27 +/- 2.01   2.938% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    PRO   93  11.44 +/- 1.63   2.741% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 0 structures by 0.00 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 = 0.997, support = 5.37, residual support = 131.6:
    * O T HG2   PRO   93 - HB2   PRO   93   2.76 +/- 0.30  73.529% * 93.6275% (1.00  10.0 10.00   5.40 132.29) =  99.519%  kept
        T HB3   PRO   52 - HB2   PRO   93   9.06 +/- 3.20   5.719% *  5.7406% (0.31   1.0 10.00   0.40   0.02) =   0.475%  kept
          QB    LYS+  65 - HB2   PRO   93  12.77 +/- 2.69   1.501% *  0.0782% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB2   PRO   93  13.66 +/- 2.42   0.796% *  0.0840% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  11.41 +/- 2.38   3.220% *  0.0203% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   PRO   93  16.29 +/- 1.66   0.406% *  0.0680% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.77 +/- 2.95   0.295% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.29 +/- 1.12   0.404% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.70 +/- 2.78   3.959% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  20.19 +/- 0.73   0.205% *  0.0864% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30  10.38 +/- 2.39   2.323% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.30 +/- 2.87   0.163% *  0.0730% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  22.36 +/- 5.81   4.440% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  19.23 +/- 2.16   0.245% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  20.62 +/- 2.88   0.230% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  14.23 +/- 2.70   0.964% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  15.63 +/- 2.24   0.556% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.80 +/- 3.13   0.479% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.26 +/- 2.64   0.463% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.69 +/- 3.84   0.102% *  0.0023% (0.02   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 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   3.94 +/- 0.20  70.834% * 99.6822% (0.73  10.0 10.00   5.40 132.29) =  99.985%  kept
          HA    THR   77 - HB2   PRO   93  10.22 +/- 1.96   6.003% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.010%
          HB2   TRP   27 - HG3   GLN   30   6.36 +/- 0.65  19.995% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  17.77 +/- 2.35   1.229% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   93 - HG3   GLN   30  23.00 +/- 2.65   0.435% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  17.45 +/- 3.93   1.505% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.0:
    * O T HD3   PRO   93 - HB2   PRO   93   3.65 +/- 0.21  48.926% * 97.4649% (0.90  10.0 10.00   5.40 132.29) =  99.781%  kept
        T HD2   ARG+  54 - HB2   PRO   93  10.51 +/- 2.02   4.433% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.101%  kept
          HB3   CYS   53 - HB2   PRO   93   6.14 +/- 2.80  25.703% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.058%
        T HD3   PRO   68 - HB2   PRO   93  17.11 +/- 3.50   1.455% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.029%
          QB    PHE   55 - HB2   PRO   93   8.02 +/- 2.80  13.980% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.025%
          HB2   PHE   59 - HB2   PRO   93   9.98 +/- 1.77   2.966% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   68 - HG3   GLN   30  16.01 +/- 2.24   0.950% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HG3   GLN   30  25.43 +/- 4.45   0.336% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  23.01 +/- 2.62   0.235% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  22.02 +/- 3.74   0.316% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.30 +/- 3.48   0.299% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.81 +/- 3.48   0.402% *  0.0045% (0.04   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 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   3.95 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.29) = 100.000%  kept
    Distance limit 5.11 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 = 5.4, residual support = 132.2:
    * O T HB2   PRO   93 - HG2   PRO   93   2.76 +/- 0.30  78.484% * 98.7141% (1.00  10.0 10.00   5.40 132.29) =  99.942%  kept
        T HG3   PRO   52 - HG2   PRO   93   8.69 +/- 4.26  10.315% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.041%
        T HG2   PRO   58 - HG2   PRO   93  11.55 +/- 3.30   1.899% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HG2   PRO   93   9.81 +/- 2.61   4.538% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL  108 - HG2   PRO   93   9.85 +/- 2.28   3.373% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLN   30 - HG2   PRO   93  22.30 +/- 2.87   0.175% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   PRO   93  13.79 +/- 2.02   0.789% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  21.59 +/- 2.34   0.182% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.57 +/- 0.75   0.095% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  26.53 +/- 2.53   0.094% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  32.85 +/- 4.47   0.057% *  0.0406% (0.41   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 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   2.53 +/- 0.29  98.139% * 99.7770% (0.73  10.0 10.00   4.00 132.29) =  99.998%  kept
          HA    THR   77 - HG2   PRO   93  12.16 +/- 1.84   1.470% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HG2   PRO   93  19.79 +/- 2.73   0.391% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.2:
    * O T HD3   PRO   93 - HG2   PRO   93   2.66 +/- 0.30  67.896% * 98.6805% (0.90  10.0 10.00   4.00 132.29) =  99.946%  kept
          HB3   CYS   53 - HG2   PRO   93   7.22 +/- 2.87  11.579% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.019%
          QB    PHE   55 - HG2   PRO   93   7.37 +/- 3.42  10.809% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.014%
          HD2   ARG+  54 - HG2   PRO   93  10.53 +/- 2.60   7.537% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.012%
        T HD3   PRO   68 - HG2   PRO   93  18.54 +/- 3.68   0.474% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HG2   PRO   93  10.42 +/- 2.31   1.704% *  0.0579% (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 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.03  91.081% * 99.2375% (0.84  10.0 10.00   2.43  24.96) =  99.993%  kept
          QB    SER   48 - HA    THR   94  12.99 +/- 1.07   1.273% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  11.54 +/- 1.55   2.087% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  14.56 +/- 1.59   0.948% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    THR   94  15.78 +/- 1.52   0.715% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    THR   94  16.43 +/- 1.94   0.742% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  17.30 +/- 1.53   0.538% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  17.29 +/- 2.41   0.593% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  12.10 +/- 2.23   1.810% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  23.78 +/- 2.74   0.214% *  0.0992% (0.84   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 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 25.0:
    * O T QG2   THR   94 - HA    THR   94   2.52 +/- 0.16  92.196% * 99.7175% (1.00  10.0 10.00   2.92  24.96) =  99.993%  kept
          HD2   LYS+ 112 - HA    THR   94  10.60 +/- 3.45   4.418% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 112 - HA    THR   94  10.54 +/- 1.72   1.978% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    THR   94  11.57 +/- 1.00   1.044% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.05 +/- 2.39   0.365% *  0.0724% (0.73   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 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.03  97.945% * 99.9751% (0.84  10.0 10.00   2.43  24.96) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.18 +/- 0.73   2.055% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.02  97.455% * 99.7175% (0.84  10.0 10.00   2.43  24.96) =  99.998%  kept
          HD2   LYS+ 112 - HB    THR   94  12.99 +/- 3.72   0.935% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  12.89 +/- 1.95   0.601% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.19 +/- 1.23   0.791% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.91 +/- 2.30   0.217% *  0.0724% (0.61   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 25.0:
    * O T HA    THR   94 - QG2   THR   94   2.52 +/- 0.16  98.310% * 99.9751% (1.00  10.0 10.00   2.92  24.96) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.11 +/- 0.62   1.690% *  0.0249% (0.25   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 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.02  95.029% * 99.2375% (0.84  10.0 10.00   2.43  24.96) =  99.996%  kept
          QB    SER   48 - QG2   THR   94  11.25 +/- 1.22   0.862% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QG2   THR   94  12.14 +/- 1.93   0.678% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.77 +/- 1.81   1.142% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  14.34 +/- 1.82   0.400% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.90 +/- 1.38   0.433% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.66 +/- 1.76   0.287% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  15.22 +/- 2.76   0.366% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.79 +/- 1.53   0.675% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  20.21 +/- 2.29   0.129% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.05 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.47 +/- 0.10  99.033% * 99.8670% (1.00  10.0 10.00   4.00  73.46) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  12.79 +/- 1.27   0.773% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  20.87 +/- 2.25   0.195% *  0.0341% (0.34   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 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.05 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.495% * 99.8670% (1.00  10.0 10.00   3.31  73.46) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.16 +/- 1.44   0.444% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.96 +/- 3.08   0.061% *  0.0341% (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 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.47 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.46) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.46) = 100.000%  kept
    Distance limit 2.73 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 = 0.978, support = 4.99, residual support = 114.9:
    * O T HB2   MET   96 - HA    MET   96   2.98 +/- 0.14  86.234% * 95.8581% (0.98  10.0 10.00   5.00 115.45) =  99.535%  kept
          HB2   ASP- 105 - HA    MET   96   6.46 +/- 0.84  10.045% *  3.8169% (0.40   1.0  1.00   1.94   0.02) =   0.462%  kept
          HB    VAL   70 - HA    MET   96  12.64 +/- 2.13   1.482% *  0.0733% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.48 +/- 0.91   0.792% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  15.66 +/- 1.53   0.670% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  18.03 +/- 2.41   0.462% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  21.00 +/- 2.61   0.315% *  0.0543% (0.55   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 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 +/- 0.18  98.028% * 99.7402% (0.98  10.0 10.00   5.00 115.45) =  99.999%  kept
          HB2   LEU   40 - HA    MET   96  12.19 +/- 1.58   1.363% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  23.45 +/- 2.64   0.169% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.95 +/- 2.52   0.350% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  29.78 +/- 4.46   0.091% *  0.0685% (0.67   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 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   2.98 +/- 0.50  99.366% * 99.6261% (0.98  10.0 10.00   4.44 115.45) =  99.998%  kept
        T HB2   PRO   52 - HA    MET   96  17.59 +/- 2.88   0.634% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   2.59 +/- 0.37  95.138% * 99.7437% (0.59  10.0 10.00   4.44 115.45) =  99.998%  kept
          HB3   TRP   87 - HA    MET   96  12.74 +/- 4.14   2.263% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    MET   96  14.56 +/- 3.17   1.806% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    MET   96  21.96 +/- 1.83   0.205% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  15.69 +/- 1.56   0.587% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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   2.98 +/- 0.14  95.998% * 99.9773% (0.98  10.0 10.00   5.00 115.45) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  10.46 +/- 2.78   4.002% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 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 = 115.5:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.388% * 99.7402% (1.00  10.0 10.00   5.00 115.45) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.58 +/- 1.59   0.415% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.79 +/- 2.89   0.062% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.19 +/- 2.71   0.102% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  27.93 +/- 4.70   0.034% *  0.0685% (0.69   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 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   2.59 +/- 0.26  99.612% * 99.6261% (1.00  10.0 10.00   4.44 115.45) =  99.999%  kept
        T HB2   PRO   52 - HB2   MET   96  18.19 +/- 2.75   0.388% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.13 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   2.86 +/- 0.24  88.942% * 99.7437% (0.61  10.0 10.00   4.44 115.45) =  99.995%  kept
          HB3   ASP-  62 - HB2   MET   96  14.58 +/- 3.28   7.086% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   TRP   87 - HB2   MET   96  11.82 +/- 4.21   3.223% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  20.59 +/- 2.21   0.292% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  17.19 +/- 1.35   0.456% *  0.0457% (0.28   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 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB3   MET   96   2.70 +/- 0.18  97.962% * 99.9773% (0.98  10.0 10.00   5.00 115.45) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96  11.34 +/- 2.47   2.038% *  0.0227% (0.22   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 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  98.185% * 99.6213% (1.00  10.0 10.00   5.00 115.45) =  99.999%  kept
          HB2   ASP- 105 - HB3   MET   96   9.00 +/- 0.95   0.857% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.39 +/- 2.01   0.349% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.69 +/- 1.69   0.238% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  14.79 +/- 1.00   0.173% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.58 +/- 2.69   0.115% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  19.53 +/- 2.63   0.082% *  0.0564% (0.57   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 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   2.88 +/- 0.22  99.409% * 99.6261% (1.00  10.0 10.00   4.44 115.45) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  17.55 +/- 2.70   0.591% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.70 +/- 0.25  92.441% * 99.7437% (0.61  10.0 10.00   4.44 115.45) =  99.997%  kept
          HB3   TRP   87 - HB3   MET   96  11.16 +/- 4.23   3.948% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HB3   MET   96  14.84 +/- 3.15   3.007% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  21.52 +/- 2.17   0.202% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.10 +/- 1.30   0.402% *  0.0457% (0.28   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 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   2.98 +/- 0.50  95.650% * 99.6779% (0.98  10.0 10.00   4.44 115.45) =  99.997%  kept
        T HA    MET   96 - HB2   PRO   52  17.59 +/- 2.88   0.611% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   72 - HG2   MET   96  11.92 +/- 3.11   3.296% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  21.36 +/- 3.90   0.443% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.44, residual support = 115.3:
    * O T HB2   MET   96 - HG2   MET   96   2.59 +/- 0.26  90.155% * 96.9237% (1.00  10.0 10.00   4.44 115.45) =  99.889%  kept
          HB2   ASP- 105 - HG2   MET   96   8.28 +/- 1.12   3.959% *  2.3547% (0.41   1.0  1.00   1.18   0.02) =   0.107%  kept
        T HB2   MET   96 - HB2   PRO   52  18.19 +/- 2.75   0.350% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  12.97 +/- 2.40   0.969% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.26 +/- 1.54   0.793% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  15.66 +/- 1.82   0.500% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  22.26 +/- 4.66   1.363% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.19 +/- 2.66   0.320% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  19.79 +/- 3.14   0.282% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.80 +/- 4.06   0.561% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  21.46 +/- 2.80   0.307% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  20.27 +/- 3.71   0.245% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.92 +/- 5.52   0.131% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.46 +/- 2.71   0.065% *  0.0207% (0.21   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 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   2.88 +/- 0.22  89.956% * 99.3732% (1.00  10.0 10.00   4.44 115.45) =  99.996%  kept
        T HB3   MET   96 - HB2   PRO   52  17.55 +/- 2.70   0.534% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HG2   MET   96  11.99 +/- 2.45   1.741% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HB2   PRO   52   7.49 +/- 1.06   6.626% *  0.0073% (0.07   1.0  1.00   0.02   1.92) =   0.001%
          HB3   GLU-  14 - HG2   MET   96  23.15 +/- 3.05   0.227% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  29.24 +/- 5.02   0.129% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.66 +/- 2.68   0.314% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.17 +/- 5.92   0.218% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.25 +/- 2.33   0.148% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  35.15 +/- 7.84   0.108% *  0.0201% (0.20   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 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  97.456% * 99.2819% (0.61  10.0 10.00   4.00 115.45) =  99.999%  kept
          HB3   TRP   87 - HG2   MET   96  12.47 +/- 4.81   0.897% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  19.18 +/- 3.00   0.093% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.13 +/- 3.40   0.642% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  16.08 +/- 1.74   0.141% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.69 +/- 2.81   0.072% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.05 +/- 3.72   0.418% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.09 +/- 1.85   0.098% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.70 +/- 3.56   0.168% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.73 +/- 4.10   0.015% *  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 = 115.5:
    * O T HA    MET   96 - HG3   MET   96   2.59 +/- 0.37  98.023% * 99.9773% (0.59  10.0 10.00   4.44 115.45) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  12.66 +/- 2.87   1.977% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 115.3:
    * O T HB2   MET   96 - HG3   MET   96   2.86 +/- 0.24  91.174% * 97.2287% (0.61  10.0 10.00   4.44 115.45) =  99.850%  kept
          HB2   ASP- 105 - HG3   MET   96   7.84 +/- 0.91   5.358% *  2.4416% (0.25   1.0  1.00   1.22   0.02) =   0.147%  kept
          HB    VAL   70 - HG3   MET   96  13.54 +/- 2.33   1.169% *  0.0743% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.67 +/- 1.27   0.947% *  0.0706% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  15.89 +/- 1.84   0.654% *  0.0629% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.83 +/- 2.67   0.393% *  0.0668% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  20.58 +/- 3.13   0.304% *  0.0550% (0.34   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 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   2.70 +/- 0.25  97.921% * 99.7402% (0.61  10.0 10.00   4.44 115.45) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  12.54 +/- 2.18   1.509% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  23.96 +/- 2.96   0.169% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.68 +/- 2.64   0.297% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.04 +/- 4.78   0.105% *  0.0685% (0.42   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 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00  99.905% * 99.6261% (0.61  10.0 10.00   4.00 115.45) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.18 +/- 3.00   0.095% *  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   2.88 +/- 0.18  84.461% * 99.7149% (1.00  10.0 10.00   2.89  62.32) =  99.989%  kept
          QE    LYS+ 106 - HA    PHE   97   8.08 +/- 1.06   5.030% *  0.0724% (0.73   1.0  1.00   0.02  10.66) =   0.004%
          QE    LYS+  99 - HA    PHE   97   7.77 +/- 1.02   5.880% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   TRP   27 - HA    PHE   97  13.11 +/- 2.97   2.393% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - HA    PHE   97  12.92 +/- 2.33   1.395% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  14.03 +/- 1.24   0.840% *  0.0197% (0.20   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 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   2.83 +/- 0.21  96.056% * 99.7224% (0.95  10.0 10.00   3.44  62.32) =  99.997%  kept
          HB2   GLU- 100 - HA    PHE   97  11.26 +/- 0.67   1.642% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PHE   97  16.79 +/- 2.93   0.810% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  15.26 +/- 1.59   0.668% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  16.64 +/- 2.51   0.825% *  0.0185% (0.18   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 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   2.88 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.32) = 100.000%  kept
    Distance limit 3.88 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  99.156% * 99.7224% (0.95  10.0 10.00   3.31  62.32) =  99.999%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.66 +/- 0.92   0.364% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.74 +/- 3.25   0.176% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.96 +/- 2.10   0.185% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  18.69 +/- 2.54   0.119% *  0.0185% (0.18   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 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   2.83 +/- 0.21 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.32) = 100.000%  kept
    Distance limit 3.64 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  94.362% * 95.9021% (0.95  10.0 10.00   3.31  62.32) =  99.871%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.01 +/- 1.10   2.969% *  3.8934% (0.69   1.0  1.00   1.12  10.66) =   0.128%  kept
          HB3   TRP   27 - HB3   PHE   97  15.28 +/- 3.51   0.766% *  0.0957% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB3   PHE   97   8.15 +/- 1.40   1.410% *  0.0394% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   PHE   97  13.82 +/- 2.87   0.314% *  0.0505% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.90 +/- 1.63   0.178% *  0.0190% (0.19   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 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 = 76.5:
    * O T QB    LEU   98 - HA    LEU   98   2.19 +/- 0.07  92.957% * 99.2568% (0.87  10.0 10.00   4.97  76.52) =  99.996%  kept
          HD3   LYS+ 121 - HA    LEU   98  15.17 +/- 6.52   0.849% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LEU   98   8.31 +/- 2.14   2.413% *  0.0226% (0.20   1.0  1.00   0.02   0.41) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  16.32 +/- 1.99   0.329% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  19.05 +/- 5.12   0.290% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.76 +/- 2.44   0.297% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  19.43 +/- 6.14   0.353% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  15.68 +/- 1.47   0.289% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  14.07 +/- 3.47   0.581% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  15.55 +/- 1.84   0.321% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  15.04 +/- 2.26   0.362% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.16 +/- 3.33   0.134% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.03 +/- 2.47   0.490% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  18.61 +/- 4.11   0.335% *  0.0226% (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 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.951, support = 4.81, residual support = 71.8:
    *   T QD1   LEU   98 - HA    LEU   98   3.15 +/- 0.39  46.348% * 93.5235% (1.00 10.00   4.84  76.52) =  92.844%  kept
          QD2   LEU  104 - HA    LEU   98   3.16 +/- 1.34  52.006% *  6.4229% (0.31  1.00   4.45  10.15) =   7.155%  kept
          QG2   ILE   19 - HA    LEU   98  13.88 +/- 1.83   0.825% *  0.0351% (0.38  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU   98  13.42 +/- 2.12   0.822% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 4.13, residual support = 74.3:
    *   T QD2   LEU   98 - HA    LEU   98   3.57 +/- 0.75  66.238% * 89.4494% (1.00 10.00   4.21  76.52) =  95.602%  kept
          QG2   VAL   41 - HA    LEU   98   6.09 +/- 2.00  28.165% *  9.6193% (0.95  1.00   2.27  25.77) =   4.372%  kept
        T QD1   LEU   80 - HA    LEU   98  17.06 +/- 5.35   1.653% *  0.8945% (1.00 10.00   0.02   0.02) =   0.024%
          QD2   LEU   63 - HA    LEU   98  11.40 +/- 2.94   3.943% *  0.0368% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.66 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 = 76.5:
    * O T HA    LEU   98 - QB    LEU   98   2.19 +/- 0.07 100.000% *100.0000% (0.87  10.0 10.00   4.97  76.52) = 100.000%  kept
    Distance limit 3.29 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 = 3.86, residual support = 76.0:
    * O T QD1   LEU   98 - QB    LEU   98   2.10 +/- 0.14  84.970% * 94.7605% (0.87  10.0 10.00   3.86  76.52) =  99.212%  kept
          QD2   LEU  104 - QB    LEU   98   4.53 +/- 1.12  13.536% *  4.6963% (0.27   1.0  1.00   3.21  10.15) =   0.783%  kept
        T QG2   ILE   19 - QB    LEU   98  11.51 +/- 1.69   0.766% *  0.3556% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE   19 - QB    LEU   98  11.24 +/- 1.77   0.728% *  0.1875% (0.17   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.20 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 = 0.855, support = 3.1, residual support = 63.5:
    * O T QD2   LEU   98 - QB    LEU   98   2.13 +/- 0.19  71.932% * 51.1151% (0.87  10.0 10.00   3.27  76.52) =  74.431%  kept
        T QG2   VAL   41 - QB    LEU   98   4.23 +/- 2.12  26.111% * 48.3528% (0.82   1.0 10.00   2.63  25.77) =  25.558%  kept
        T QD1   LEU   80 - QB    LEU   98  13.88 +/- 4.91   0.960% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - QB    LEU   98  10.08 +/- 2.51   0.997% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.84, residual support = 76.5:
    *   T HA    LEU   98 - QD1   LEU   98   3.15 +/- 0.39 100.000% *100.0000% (1.00 10.00   4.84  76.52) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 76.5:
    * O T QB    LEU   98 - QD1   LEU   98   2.10 +/- 0.14  85.231% * 98.1517% (0.87  10.0 10.00   3.86  76.52) =  99.982%  kept
        T HG    LEU   80 - QD1   LEU   98  14.52 +/- 5.32   0.949% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T HG12  ILE   19 - QD1   LEU   98  13.08 +/- 2.59   0.508% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QD1   LEU   98  14.16 +/- 5.43   1.943% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QD1   LEU   98   7.53 +/- 2.18   5.013% *  0.0224% (0.20   1.0  1.00   0.02   0.41) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  14.14 +/- 4.69   0.784% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  12.87 +/- 1.79   0.503% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD1   LEU   98  12.00 +/- 3.04   1.514% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.43 +/- 1.57   0.416% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.45 +/- 2.47   0.708% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  12.98 +/- 1.95   0.568% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  10.88 +/- 2.02   0.942% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  17.65 +/- 3.05   0.233% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  15.54 +/- 3.65   0.686% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.999, support = 2.61, residual support = 76.2:
    * O T QD2   LEU   98 - QD1   LEU   98   1.99 +/- 0.06  85.837% * 94.0955% (1.00  10.0 10.00   2.62  76.52) =  99.273%  kept
          QG2   VAL   41 - QD1   LEU   98   4.88 +/- 1.97  11.811% *  4.9249% (0.95   1.0  1.00   1.11  25.77) =   0.715%  kept
        T QD1   LEU   80 - QD1   LEU   98  12.88 +/- 4.64   1.005% *  0.9410% (1.00   1.0 10.00   0.02   0.02) =   0.012%
          QD2   LEU   63 - QD1   LEU   98   9.98 +/- 2.57   1.348% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.50 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 = 4.21, residual support = 76.5:
    *   T HA    LEU   98 - QD2   LEU   98   3.57 +/- 0.75  97.663% * 99.4301% (1.00 10.00   4.21  76.52) =  99.986%  kept
        T HA    LEU   98 - QD1   LEU   80  17.06 +/- 5.35   2.337% *  0.5699% (0.57 10.00   0.02   0.02) =   0.014%
    Distance limit 4.61 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 = 0.696, support = 3.81, residual support = 79.7:
    * O T QB    LEU   98 - QD2   LEU   98   2.13 +/- 0.19  37.467% * 50.3539% (0.87  10.0 10.00   3.27  76.52) =  63.306%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  37.687% * 16.1964% (0.28  10.0  1.00   4.56  85.32) =  20.482%  kept
      O T HB2   LEU   80 - QD1   LEU   80   3.00 +/- 0.34  15.031% * 32.1120% (0.55  10.0 10.00   4.96  85.32) =  16.196%  kept
        T HB2   LEU   80 - QD2   LEU   98  13.82 +/- 4.48   0.335% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LEU   98 - QD1   LEU   80  13.88 +/- 4.91   0.413% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QD2   LEU   98   7.01 +/- 2.07   1.891% *  0.0115% (0.20   1.0  1.00   0.02   0.41) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  12.11 +/- 2.42   0.368% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   80  11.31 +/- 3.32   0.625% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   98  14.45 +/- 4.86   0.330% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   98  12.19 +/- 3.29   0.324% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.20 +/- 3.08   0.949% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  14.09 +/- 5.15   0.347% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98  10.16 +/- 2.75   0.853% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  11.27 +/- 2.80   0.405% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.88 +/- 1.59   0.161% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  14.78 +/- 3.69   0.381% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  12.11 +/- 3.87   0.815% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  15.92 +/- 3.44   0.223% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.57 +/- 1.94   0.215% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.88 +/- 3.13   0.102% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  16.89 +/- 6.50   0.171% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  13.00 +/- 2.99   0.262% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.48 +/- 4.15   0.046% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  19.28 +/- 3.85   0.074% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  15.72 +/- 4.10   0.183% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  18.80 +/- 6.35   0.134% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  16.15 +/- 2.54   0.104% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  16.60 +/- 2.84   0.103% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.987, support = 2.58, residual support = 75.3:
    * O T QD1   LEU   98 - QD2   LEU   98   1.99 +/- 0.06  81.325% * 89.5665% (1.00  10.0 10.00   2.62  76.52) =  98.140%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.16 +/- 1.29  14.204% *  9.6809% (0.31   1.0 10.00   0.70  10.15) =   1.853%  kept
        T QD1   LEU   98 - QD1   LEU   80  12.88 +/- 4.64   0.897% *  0.5134% (0.57   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU  104 - QD1   LEU   80  16.65 +/- 4.66   0.262% *  0.1585% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD2   LEU   98  10.64 +/- 2.38   0.916% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  13.28 +/- 5.58   0.970% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.37 +/- 2.44   0.883% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  14.23 +/- 5.09   0.544% *  0.0102% (0.11   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 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 = 174.2:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.20 +/- 0.49  70.892% * 98.3696% (1.00  10.0 10.00   6.44 174.46) =  99.857%  kept
          QG2   THR   39 - HA    LYS+  99   7.29 +/- 3.25  15.494% *  0.4490% (0.65   1.0  1.00   0.14   0.02) =   0.100%
        T HG3   LYS+  38 - HA    LYS+  99  10.64 +/- 4.55   6.116% *  0.3692% (0.38   1.0 10.00   0.02   0.02) =   0.032%
          HG    LEU   71 - HA    LYS+  99  11.53 +/- 4.39   3.931% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HG12  ILE   89 - HA    LYS+  99  21.95 +/- 3.96   0.306% *  0.4044% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  99  14.52 +/- 2.96   1.128% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    LYS+  99  17.14 +/- 2.07   0.964% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  19.69 +/- 1.74   0.376% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  18.08 +/- 1.91   0.505% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  22.61 +/- 2.53   0.288% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.745, support = 5.91, residual support = 174.4:
    *   T QD    LYS+  99 - HA    LYS+  99   3.75 +/- 0.65  32.897% * 69.7607% (1.00   1.0 10.00   5.82 174.46) =  56.697%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.83 +/- 0.29  61.075% * 28.6795% (0.41  10.0 10.00   6.03 174.46) =  43.273%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.45 +/- 1.27   1.319% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.023%
        T HB2   LEU  123 - HA    LYS+  99  19.16 +/- 5.79   0.375% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   ILE   56 - HA    LYS+  99  18.14 +/- 1.89   0.282% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HA    LYS+  99   8.32 +/- 1.01   3.151% *  0.0155% (0.22   1.0  1.00   0.02   1.29) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  15.08 +/- 1.90   0.493% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+  99  22.23 +/- 0.71   0.133% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  22.96 +/- 2.62   0.138% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.94 +/- 0.84   0.138% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.988, support = 7.01, residual support = 172.0:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.88 +/- 0.47  65.629% * 94.9938% (1.00  10.0 10.00   7.07 174.46) =  98.441%  kept
          HG    LEU   98 - HA    LYS+  99   4.74 +/- 1.21  26.694% *  3.6035% (0.22   1.0  1.00   3.41  17.72) =   1.519%  kept
        T HG2   LYS+  38 - HA    LYS+  99  10.59 +/- 3.93   2.410% *  0.9311% (0.98   1.0 10.00   0.02   0.02) =   0.035%
          HB2   LEU   31 - HA    LYS+  99  12.14 +/- 3.15   1.739% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    LYS+  99  21.42 +/- 5.55   0.510% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  99  15.44 +/- 3.29   0.617% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+  99  14.98 +/- 1.66   0.579% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  20.90 +/- 3.80   0.280% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.12 +/- 1.76   0.506% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.33 +/- 2.72   0.174% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  17.77 +/- 6.34   0.504% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  19.64 +/- 3.12   0.358% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.37, residual support = 173.0:
    *   T QE    LYS+  99 - HA    LYS+  99   3.59 +/- 0.79  71.062% * 91.7454% (1.00 10.00   5.41 174.46) =  99.131%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.86 +/- 0.82   6.919% *  7.3530% (0.69 10.00   0.23   1.29) =   0.774%  kept
        T QE    LYS+  38 - HA    LYS+  99  10.04 +/- 3.18   6.936% *  0.8228% (0.90 10.00   0.02   0.02) =   0.087%
          HB2   PHE   97 - HA    LYS+  99   7.41 +/- 0.81  12.301% *  0.0377% (0.41  1.00   0.02   0.02) =   0.007%
          HB3   TRP   27 - HA    LYS+  99  14.38 +/- 3.25   2.782% *  0.0411% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.98, residual support = 173.8:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.58 +/- 0.26  76.450% * 98.0317% (1.00  10.0 10.00   7.00 174.46) =  99.578%  kept
          HA    LEU   40 - HB2   LYS+  99   6.41 +/- 3.89  20.366% *  1.5480% (0.25   1.0  1.00   1.27   9.75) =   0.419%  kept
          HA    ASN   35 - HB2   LYS+  99  11.55 +/- 2.86   1.437% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LYS+  99  17.94 +/- 7.30   0.551% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LYS+  99  20.85 +/- 1.93   0.157% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.57 +/- 2.39   0.127% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.05 +/- 3.46   0.313% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.67 +/- 3.43   0.259% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  20.94 +/- 2.97   0.182% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.38 +/- 4.47   0.159% *  0.0133% (0.14   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 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 = 174.3:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.82 +/- 0.26  85.596% * 97.9367% (1.00  10.0 10.00   6.43 174.46) =  99.926%  kept
          QG2   THR   39 - HB2   LYS+  99   8.53 +/- 2.86   5.141% *  0.8871% (0.65   1.0  1.00   0.28   0.02) =   0.054%
        T HG3   LYS+  38 - HB2   LYS+  99  11.75 +/- 4.32   2.822% *  0.3676% (0.38   1.0 10.00   0.02   0.02) =   0.012%
          HG    LEU   71 - HB2   LYS+  99  12.71 +/- 4.50   3.960% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HG12  ILE   89 - HB2   LYS+  99  22.52 +/- 3.77   0.236% *  0.4026% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  99  15.70 +/- 3.21   0.917% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  18.24 +/- 2.04   0.394% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.96 +/- 1.87   0.261% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.76 +/- 1.84   0.428% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  21.68 +/- 2.98   0.244% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.7, support = 5.22, residual support = 174.5:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  70.184% * 29.0322% (0.41  10.0   4.76 174.46) =  50.862%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.47 +/- 0.30  27.875% * 70.6187% (1.00  10.0   5.69 174.46) =  49.136%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.96 +/- 1.38   0.568% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   8.28 +/- 1.27   0.944% *  0.0157% (0.22   1.0   0.02   1.29) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  16.41 +/- 2.08   0.104% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  17.98 +/- 6.22   0.135% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.82 +/- 1.86   0.074% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.00 +/- 3.11   0.044% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.18 +/- 0.94   0.035% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.86 +/- 1.16   0.037% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 0.996, support = 7.03, residual support = 173.7:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.77 +/- 0.21  82.634% * 96.1379% (1.00  10.0   7.05 174.46) =  99.546%  kept
          HG    LEU   98 - HB2   LYS+  99   6.08 +/- 0.99  10.881% *  3.2907% (0.22   1.0   3.07  17.72) =   0.449%  kept
          HG2   LYS+  38 - HB2   LYS+  99  11.82 +/- 3.60   1.813% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  99  13.74 +/- 3.17   1.107% *  0.0803% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+  99  15.69 +/- 3.06   0.605% *  0.0544% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  16.86 +/- 6.68   0.951% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.51 +/- 1.69   0.566% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.35 +/- 3.26   0.240% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  21.30 +/- 3.69   0.254% *  0.0698% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  22.69 +/- 5.40   0.250% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  16.77 +/- 1.57   0.436% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  20.42 +/- 2.89   0.263% *  0.0148% (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 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.19, residual support = 174.1:
    *     QE    LYS+  99 - HB2   LYS+  99   3.17 +/- 0.72  70.953% * 97.8550% (1.00   5.20 174.46) =  99.816%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.90 +/- 1.18   5.585% *  1.4841% (0.69   0.11   1.29) =   0.119%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.42 +/- 1.03  13.667% *  0.1547% (0.41   0.02   0.02) =   0.030%
          QE    LYS+  38 - HB2   LYS+  99  10.81 +/- 3.13   4.577% *  0.3375% (0.90   0.02   0.02) =   0.022%
          HB3   TRP   27 - HB2   LYS+  99  15.82 +/- 3.64   5.218% *  0.1687% (0.45   0.02   0.02) =   0.013%
    Distance limit 4.48 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 = 174.2:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.20 +/- 0.49  48.557% * 97.6169% (1.00  10.0 10.00   6.44 174.46) =  99.851%  kept
          HA    LEU   40 - HG3   LYS+  99   7.06 +/- 4.58  18.071% *  0.3231% (0.25   1.0  1.00   0.27   9.75) =   0.123%  kept
        T HA    LYS+  99 - HG3   LYS+  38  10.64 +/- 4.55   4.452% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.010%
          HA    ASN   35 - HG3   LYS+  99  10.99 +/- 3.76   2.920% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASN   35 - HG3   LYS+  38   5.47 +/- 1.04  15.055% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ILE   56 - HG3   LYS+  99  24.60 +/- 2.33   0.130% *  0.9234% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - HG12  ILE   89  21.95 +/- 3.96   0.213% *  0.3959% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG3   LYS+  99  19.01 +/- 7.68   0.676% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG12  ILE   89  18.97 +/- 3.04   0.423% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  22.88 +/- 1.56   0.161% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.12 +/- 1.09   4.417% *  0.0025% (0.03   1.0  1.00   0.02   0.72) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.77 +/- 3.02   0.102% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.83 +/- 3.62   0.320% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  21.33 +/- 2.75   0.225% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  26.42 +/- 5.04   0.150% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.79 +/- 5.84   0.521% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  18.78 +/- 4.12   0.345% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.26 +/- 4.85   0.239% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  28.48 +/- 2.71   0.091% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.64 +/- 3.14   0.193% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  20.04 +/- 2.33   0.271% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.95 +/- 3.18   0.293% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  22.24 +/- 3.28   0.179% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  27.13 +/- 4.39   0.183% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  15.99 +/- 4.18   0.640% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  30.56 +/- 4.69   0.163% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  18.58 +/- 4.51   0.502% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  27.63 +/- 4.35   0.113% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  22.30 +/- 2.81   0.220% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.58 +/- 3.24   0.175% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 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 = 0.915, support = 4.72, residual support = 178.5:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.81 +/- 0.55  40.356% * 89.0505% (1.00  10.0 10.00   4.76 174.46) =  90.656%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.71 +/- 0.46  43.844% *  8.3338% (0.09  10.0 10.00   4.42 221.17) =   9.217%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   9.36 +/- 1.84   4.250% *  0.6117% (0.69   1.0 10.00   0.02   1.29) =   0.066%
        T QE    LYS+  38 - HG3   LYS+  99   9.84 +/- 4.21   2.110% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.043%
        T QE    LYS+  99 - HG3   LYS+  38   9.20 +/- 4.40   5.507% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.013%
          HB2   PHE   97 - HG3   LYS+  99   8.76 +/- 0.91   1.468% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG12  ILE   89  19.25 +/- 4.10   0.209% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  38  15.02 +/- 5.71   0.688% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG12  ILE   89  22.08 +/- 3.01   0.108% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  26.09 +/- 3.56   0.066% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG3   LYS+  99  16.90 +/- 3.46   0.420% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  17.94 +/- 5.37   0.328% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  18.20 +/- 3.33   0.216% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.37 +/- 2.42   0.236% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.66 +/- 1.55   0.193% *  0.0042% (0.05   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 174.0:
    *   T HA    LYS+  99 - QD    LYS+  99   3.75 +/- 0.65  52.698% * 95.3504% (1.00 10.00   5.82 174.46) =  99.714%  kept
          HA    LEU   40 - QD    LYS+  99   6.34 +/- 3.87  26.262% *  0.3156% (0.25  1.00   0.27   9.75) =   0.164%  kept
        T HA    LYS+  99 - QD    LYS+ 106  11.45 +/- 1.27   3.162% *  0.7677% (0.81 10.00   0.02   0.02) =   0.048%
        T HA    LEU  123 - QD    LYS+  99  15.82 +/- 7.20   2.078% *  0.8271% (0.87 10.00   0.02   0.02) =   0.034%
        T HA    ILE   56 - QD    LYS+ 106  16.83 +/- 2.64   0.792% *  0.7262% (0.76 10.00   0.02   0.02) =   0.011%
          HA    ASN   35 - QD    LYS+  99  10.29 +/- 2.71   4.780% *  0.0920% (0.97  1.00   0.02   0.02) =   0.009%
        T HA    LEU  123 - QD    LYS+ 106  19.62 +/- 3.79   0.519% *  0.6659% (0.70 10.00   0.02   0.02) =   0.007%
        T HA    ILE   56 - QD    LYS+  99  21.14 +/- 2.56   0.361% *  0.9020% (0.95 10.00   0.02   0.02) =   0.006%
          HA    ASP- 113 - QD    LYS+ 106  14.93 +/- 1.55   1.041% *  0.0641% (0.67  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+ 106  17.94 +/- 2.27   0.642% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  19.45 +/- 1.83   0.448% *  0.0796% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.32 +/- 1.75   1.555% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  15.66 +/- 2.58   1.346% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  16.89 +/- 3.47   0.913% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  16.62 +/- 3.56   0.855% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.91 +/- 2.78   0.886% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.47 +/- 3.10   0.566% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.80 +/- 4.55   0.570% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  22.44 +/- 1.85   0.318% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  25.89 +/- 2.74   0.210% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.84, residual support = 174.3:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.36 +/- 0.13  80.233% * 94.9945% (1.00  10.0  1.00   5.85 174.46) =  99.871%  kept
          HG    LEU   98 - QD    LYS+  99   7.49 +/- 1.10   3.318% *  2.5086% (0.22   1.0  1.00   2.37  17.72) =   0.109%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  12.50 +/- 2.73   0.979% *  0.6859% (0.72   1.0 10.00   0.02   0.02) =   0.009%
          HG2   LYS+  38 - QD    LYS+  99  10.04 +/- 3.75   2.341% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 111 - QD    LYS+  99  20.21 +/- 3.09   0.169% *  0.8519% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    LYS+  99  13.15 +/- 2.83   0.748% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.83 +/- 1.41   0.726% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    LYS+ 106  12.32 +/- 3.35   0.965% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   9.04 +/- 1.65   2.542% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  99  14.56 +/- 6.68   1.409% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    LYS+ 106  16.69 +/- 5.12   0.751% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+ 106  11.62 +/- 2.07   1.099% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  10.81 +/- 2.03   1.235% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  14.86 +/- 3.35   0.470% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  14.53 +/- 2.76   0.519% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.17 +/- 3.39   0.339% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.30 +/- 1.70   0.349% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.16 +/- 1.79   0.163% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  20.61 +/- 3.22   0.143% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  22.02 +/- 4.71   0.143% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  13.42 +/- 3.09   0.743% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.43 +/- 1.39   0.256% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  18.90 +/- 3.35   0.207% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  19.76 +/- 2.48   0.154% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.27, residual support = 174.4:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.33 +/- 0.15  82.090% * 94.6730% (1.00  10.0 10.00   5.27 174.46) =  99.949%  kept
        T HG3   LYS+  38 - QD    LYS+  99   9.91 +/- 4.37   2.902% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+  99 - QD    LYS+ 106  12.76 +/- 1.59   0.775% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HG12  ILE   89 - QD    LYS+ 106  12.97 +/- 3.82   1.549% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  74 - QD    LYS+  99  17.53 +/- 2.35   0.371% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   39 - QD    LYS+  99   7.64 +/- 3.06   4.658% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+ 106  15.80 +/- 2.48   0.368% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 111 - QD    LYS+ 106  12.58 +/- 2.61   0.880% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QD    LYS+  99  11.72 +/- 4.38   2.230% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   ILE   56 - QD    LYS+ 106  12.53 +/- 2.37   0.711% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QD    LYS+  99  14.47 +/- 3.39   0.710% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  16.77 +/- 1.99   0.256% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+  99  22.01 +/- 3.24   0.132% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.24 +/- 2.28   0.174% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106  11.28 +/- 1.98   0.993% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  20.55 +/- 2.80   0.141% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+ 106  17.21 +/- 2.92   0.287% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.09 +/- 1.71   0.430% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.83 +/- 2.12   0.182% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.34 +/- 1.70   0.161% *  0.0612% (0.65   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 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.44, residual support = 174.2:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  83.995% * 94.5198% (1.00  10.0 10.00   4.44 174.46) =  99.851%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.73 +/- 0.82   2.894% *  1.9017% (0.33   1.0  1.00   1.22  10.66) =   0.069%
        T QE    LYS+  38 - QD    LYS+  99   8.92 +/- 3.56   3.773% *  0.8477% (0.90   1.0 10.00   0.02   0.02) =   0.040%
        T QE    LYS+ 102 - QD    LYS+  99   9.22 +/- 1.59   1.940% *  0.6493% (0.69   1.0 10.00   0.02   1.29) =   0.016%
        T QE    LYS+ 102 - QD    LYS+ 106   8.85 +/- 1.90   1.811% *  0.5228% (0.55   1.0 10.00   0.02   0.02) =   0.012%
        T QE    LYS+  99 - QD    LYS+ 106  11.88 +/- 1.71   0.872% *  0.7610% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  38 - QD    LYS+ 106  17.34 +/- 1.50   0.157% *  0.6825% (0.72   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.30 +/- 3.47   2.091% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    LYS+  99   7.38 +/- 0.94   2.219% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+ 106  16.05 +/- 2.71   0.248% *  0.0341% (0.36   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 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.986, support = 5.32, residual support = 170.7:
    *   T HA    LYS+  99 - QE    LYS+  99   3.59 +/- 0.79  33.833% * 89.6545% (1.00 10.00   5.41 174.46) =  97.789%  kept
          HA    LEU   40 - QE    LYS+  99   5.71 +/- 3.86  22.424% *  1.9540% (0.25  1.00   1.75   9.75) =   1.413%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.86 +/- 0.82   2.995% *  7.1339% (0.68 10.00   0.23   1.29) =   0.689%  kept
          HA    LEU   40 - QE    LYS+  38   7.76 +/- 1.42   7.083% *  0.2502% (0.07  1.00   0.83   0.72) =   0.057%
        T HA    LYS+  99 - QE    LYS+  38  10.04 +/- 3.18   2.687% *  0.2419% (0.27 10.00   0.02   0.02) =   0.021%
          HA    ASN   35 - QE    LYS+  38   6.03 +/- 1.51  12.345% *  0.0233% (0.26  1.00   0.02   0.02) =   0.009%
          HA    ASN   35 - QE    LYS+  99   9.65 +/- 2.64   2.642% *  0.0865% (0.97  1.00   0.02   0.02) =   0.007%
          HA    ASN   35 - QE    LYS+ 102  13.99 +/- 5.01   2.308% *  0.0590% (0.66  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - QE    LYS+  99  15.57 +/- 7.11   1.443% *  0.0778% (0.87  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - QE    LYS+ 102  12.02 +/- 3.96   5.373% *  0.0152% (0.17  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QE    LYS+ 102  22.49 +/- 6.38   0.430% *  0.0530% (0.59  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  19.63 +/- 2.14   0.235% *  0.0749% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - QE    LYS+  99  20.98 +/- 2.85   0.201% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QE    LYS+  99  16.61 +/- 3.71   0.563% *  0.0224% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  18.55 +/- 5.89   0.501% *  0.0210% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  24.22 +/- 4.79   0.454% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  15.85 +/- 3.76   0.699% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.67 +/- 1.66   0.145% *  0.0511% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  24.23 +/- 2.15   0.121% *  0.0578% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.12 +/- 3.48   0.356% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.99 +/- 4.27   0.297% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.36 +/- 2.82   0.229% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.95 +/- 3.63   0.147% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  15.11 +/- 4.02   0.890% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.05 +/- 3.82   0.333% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.04 +/- 3.55   0.293% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  17.48 +/- 4.17   0.458% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.69 +/- 2.31   0.156% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  24.75 +/- 4.33   0.161% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  22.08 +/- 3.58   0.196% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.532, support = 4.62, residual support = 174.4:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  64.247% * 59.3791% (0.41  10.0 10.00   4.44 174.46) =  79.332%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.32 +/- 0.74  25.891% * 38.3058% (1.00   1.0  1.00   5.30 174.46) =  20.624%  kept
        T QD    LYS+  99 - QE    LYS+ 102   9.22 +/- 1.59   1.482% *  0.4050% (0.28   1.0 10.00   0.02   1.29) =   0.012%
        T QD    LYS+ 106 - QE    LYS+ 102   8.85 +/- 1.90   1.406% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+  99 - QE    LYS+  38   8.92 +/- 3.56   3.038% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 106 - QE    LYS+  99  11.88 +/- 1.71   0.514% *  0.5421% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  99 - QE    LYS+ 102   8.56 +/- 1.38   1.357% *  0.0985% (0.68   1.0  1.00   0.02   1.29) =   0.003%
          HB3   LYS+  99 - QE    LYS+  38  10.85 +/- 3.15   0.969% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  16.70 +/- 2.26   0.151% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.34 +/- 1.50   0.121% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  19.84 +/- 4.12   0.112% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  19.55 +/- 1.73   0.085% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  22.50 +/- 3.19   0.058% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.15 +/- 1.85   0.196% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.41 +/- 3.02   0.088% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.86 +/- 2.32   0.121% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.15 +/- 1.85   0.129% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  26.52 +/- 3.58   0.036% *  0.0298% (0.21   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.905, support = 4.7, residual support = 177.3:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.81 +/- 0.55  31.950% * 83.7986% (1.00  10.0 10.00   4.76 174.46) =  89.151%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.71 +/- 0.46  34.628% *  8.4848% (0.10  10.0 10.00   4.42 221.17) =   9.783%  kept
          QG2   THR   39 - QE    LYS+  38   6.16 +/- 1.43   5.860% *  2.5374% (0.17   1.0  1.00   3.47  30.82) =   0.495%  kept
          QG2   THR   39 - QE    LYS+  99   6.76 +/- 3.21   5.105% *  2.4652% (0.65   1.0  1.00   0.91   0.02) =   0.419%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   9.36 +/- 1.84   3.152% *  0.5715% (0.68   1.0 10.00   0.02   1.29) =   0.060%
        T HG3   LYS+  38 - QE    LYS+  99   9.20 +/- 4.40   4.375% *  0.3145% (0.38   1.0 10.00   0.02   0.02) =   0.046%
          HG    LEU   71 - QE    LYS+  99  10.46 +/- 4.62   7.467% *  0.0831% (0.99   1.0  1.00   0.02   0.02) =   0.021%
        T HG3   LYS+  99 - QE    LYS+  38   9.84 +/- 4.21   1.646% *  0.2261% (0.27   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  38 - QE    LYS+ 102  15.02 +/- 5.71   0.546% *  0.2145% (0.26   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - QE    LYS+  99  13.77 +/- 3.26   0.547% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+ 102  12.35 +/- 3.80   0.954% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QE    LYS+ 102  19.25 +/- 4.10   0.150% *  0.2349% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QE    LYS+  99  22.08 +/- 3.01   0.078% *  0.3445% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+  38  10.85 +/- 3.30   1.188% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  16.96 +/- 2.35   0.182% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 102  17.04 +/- 4.30   0.231% *  0.0566% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  14.47 +/- 2.78   0.429% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.71 +/- 2.48   0.178% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.37 +/- 1.84   0.112% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  18.96 +/- 3.06   0.111% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  19.82 +/- 1.77   0.096% *  0.0570% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  26.09 +/- 3.56   0.049% *  0.0929% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.64 +/- 2.24   0.200% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  19.15 +/- 2.98   0.152% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  20.86 +/- 2.79   0.118% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.90 +/- 1.98   0.133% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.48 +/- 2.63   0.085% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  22.89 +/- 2.07   0.068% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  26.24 +/- 4.38   0.091% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.41 +/- 2.79   0.118% *  0.0050% (0.06   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 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 = 75.6:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.71 +/- 0.31  70.944% * 99.1823% (1.00  10.0 10.00   4.26  75.63) =  99.979%  kept
        T HB2   GLU- 100 - HA    LYS+  38   8.28 +/- 5.52  18.765% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.016%
          QG    GLN   32 - HA    GLU- 100  11.82 +/- 3.97   4.475% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  11.66 +/- 0.58   1.042% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  25.32 +/- 3.48   0.111% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  20.13 +/- 4.40   0.635% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    GLU- 100  24.86 +/- 1.60   0.110% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  23.66 +/- 3.82   0.159% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.13 +/- 0.64   2.226% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  14.62 +/- 1.79   0.600% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  20.58 +/- 3.66   0.734% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  24.42 +/- 3.80   0.201% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.63 +/- 0.21  65.146% * 99.2716% (1.00  10.0 10.00   4.26  75.63) =  99.972%  kept
        T HB3   GLU- 100 - HA    LYS+  38   8.32 +/- 5.46  14.487% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.013%
          HB3   PRO   68 - HA    GLU- 100  17.64 +/- 6.56  12.099% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          HB2   GLN   30 - HA    GLU- 100  12.60 +/- 3.25   1.151% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLU- 100  14.45 +/- 3.45   0.761% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    GLU- 100  22.53 +/- 3.47   0.131% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.56 +/- 0.83   0.141% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  17.02 +/- 4.13   0.413% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  10.29 +/- 1.40   1.456% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.64 +/- 1.06   0.094% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  14.55 +/- 3.95   1.325% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  11.99 +/- 1.25   0.786% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  30.05 +/- 2.87   0.054% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.60 +/- 3.76   0.171% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.83 +/- 2.32   0.076% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.04 +/- 4.07   0.923% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  21.40 +/- 3.76   0.174% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.61 +/- 1.39   0.095% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  17.47 +/- 3.21   0.279% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  29.41 +/- 3.63   0.062% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.21 +/- 2.17   0.092% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  27.01 +/- 4.19   0.084% *  0.0017% (0.02   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 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.6:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.96 +/- 0.54  62.563% * 99.4988% (1.00  10.0 10.00   4.72  75.63) =  99.972%  kept
        T HG2   GLU- 100 - HA    LYS+  38   7.75 +/- 5.05  22.977% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.022%
          HB2   MET   96 - HA    GLU- 100  12.88 +/- 1.00   1.063% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.70 +/- 0.72   0.667% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLU- 100  20.30 +/- 4.98   2.922% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU- 100  16.11 +/- 3.83   1.192% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLU- 100  22.35 +/- 3.72   0.438% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU- 100  14.05 +/- 4.46   1.146% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    GLU- 100  18.37 +/- 3.76   0.419% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.85 +/- 2.28   3.322% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.69 +/- 1.36   0.112% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  15.72 +/- 1.58   0.610% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  22.56 +/- 3.52   0.446% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.82 +/- 1.60   0.372% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.04 +/- 1.00   0.767% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  15.58 +/- 2.86   0.613% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.51 +/- 0.89   0.279% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  28.37 +/- 1.82   0.091% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 75.6:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.71 +/- 0.31  78.723% * 98.6741% (1.00  10.0 10.00   4.26  75.63) =  99.940%  kept
        T HA    LYS+  38 - HB2   GLU- 100   8.28 +/- 5.52  20.777% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.059%
        T HD2   PRO   58 - HB2   GLU- 100  26.88 +/- 2.49   0.093% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB2   GLU- 100  23.97 +/- 6.67   0.320% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.90 +/- 2.07   0.086% *  0.0406% (0.41   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 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 = 75.6:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  97.360% * 99.3690% (1.00  10.0 10.00   2.00  75.63) =  99.998%  kept
          HB3   PRO   68 - HB2   GLU- 100  18.11 +/- 6.71   1.479% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HB2   GLU- 100  13.77 +/- 2.87   0.408% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  15.62 +/- 3.17   0.340% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  22.91 +/- 3.45   0.052% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.22 +/- 1.36   0.057% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.65 +/- 4.11   0.148% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.66 +/- 0.91   0.036% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  30.90 +/- 2.82   0.020% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  21.63 +/- 3.74   0.067% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.27 +/- 2.68   0.033% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.98 +/- 0.04  93.681% * 99.5837% (1.00  10.0 10.00   3.24  75.63) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  14.89 +/- 1.31   0.837% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  13.92 +/- 0.84   0.959% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   GLU- 100  23.76 +/- 3.57   0.432% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  14.92 +/- 4.54   1.245% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  17.22 +/- 3.55   0.942% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  21.61 +/- 4.70   1.299% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.25 +/- 3.73   0.483% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.74 +/- 1.62   0.121% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.63 +/- 0.21  81.768% * 99.5406% (1.00  10.0 10.00   4.26  75.63) =  99.951%  kept
        T HA    LYS+  38 - HB3   GLU- 100   8.32 +/- 5.46  17.871% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.049%
          HA    VAL   83 - HB3   GLU- 100  24.43 +/- 6.78   0.189% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  27.56 +/- 2.67   0.094% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.59 +/- 2.06   0.077% *  0.0409% (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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.6:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  98.548% * 99.6840% (1.00  10.0 10.00   2.00  75.63) =  99.999%  kept
          QG    GLN   32 - HB3   GLU- 100  12.36 +/- 3.73   0.979% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU- 100  12.68 +/- 0.73   0.269% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  21.94 +/- 4.37   0.134% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.88 +/- 1.85   0.032% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  26.63 +/- 3.72   0.037% *  0.0447% (0.45   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 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 = 75.6:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.67 +/- 0.18  95.572% * 99.0882% (1.00  10.0 10.00   3.24  75.63) =  99.995%  kept
        T HB    VAL   70 - HB3   GLU- 100  15.62 +/- 4.22   0.759% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB3   GLU- 100  19.58 +/- 3.45   0.327% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   GLU- 100  15.38 +/- 0.87   0.537% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.55 +/- 0.70   0.615% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.30 +/- 3.69   0.771% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  24.36 +/- 3.77   0.234% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.76 +/- 4.88   1.101% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.33 +/- 1.46   0.084% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.72, residual support = 75.6:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.96 +/- 0.54  72.818% * 99.5406% (1.00  10.0 10.00   4.72  75.63) =  99.918%  kept
        T HA    LYS+  38 - HG2   GLU- 100   7.75 +/- 5.05  26.669% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.081%
          HA    VAL   83 - HG2   GLU- 100  24.42 +/- 6.19   0.237% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  26.33 +/- 2.93   0.158% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.64 +/- 2.41   0.118% *  0.0409% (0.41   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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.98 +/- 0.04  94.392% * 99.6840% (1.00  10.0 10.00   3.24  75.63) =  99.997%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.69 +/- 1.19   1.745% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   32 - HG2   GLU- 100  12.33 +/- 3.22   2.925% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG2   GLU- 100  21.60 +/- 4.12   0.530% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  24.63 +/- 2.11   0.181% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  25.36 +/- 3.83   0.227% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 3.24, residual support = 75.5:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.67 +/- 0.18  78.092% * 98.4783% (1.00  10.0 10.00   3.24  75.63) =  99.876%  kept
        T HB3   PRO   68 - HG2   GLU- 100  17.50 +/- 6.65  16.041% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.116%  kept
          HG3   GLN   30 - HG2   GLU- 100  15.19 +/- 3.40   2.623% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - HG2   GLU- 100  13.42 +/- 2.87   1.921% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HG2   GLU- 100  16.87 +/- 3.80   0.464% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   17 - HG2   GLU- 100  20.77 +/- 3.51   0.224% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   GLU- 100  22.16 +/- 3.66   0.182% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.07 +/- 1.28   0.179% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.37 +/- 0.96   0.107% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  30.58 +/- 3.04   0.061% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  25.83 +/- 3.17   0.105% *  0.0274% (0.28   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 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  99.918% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  20.64 +/- 4.13   0.082% *  0.0375% (0.38   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 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  98.717% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ALA   34 - HA2   GLY  101  12.62 +/- 4.41   0.552% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HA2   GLY  101  15.71 +/- 5.07   0.378% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.53 +/- 4.72   0.148% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.06 +/- 2.32   0.063% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.13 +/- 2.49   0.047% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  24.37 +/- 8.33   0.074% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.35 +/- 2.23   0.022% *  0.0277% (0.28   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 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 = 0.993, support = 6.31, residual support = 159.3:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.37 +/- 0.15  87.464% * 90.1254% (1.00  10.0 10.00   6.31 160.78) =  98.945%  kept
          HG12  ILE  103 - HA    LYS+ 102   5.42 +/- 0.56   9.193% *  9.0438% (0.34   1.0  1.00   5.88  23.47) =   1.044%  kept
        T HB    VAL   41 - HA    LYS+ 102  10.12 +/- 2.97   1.883% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.010%
          HB2   LEU   71 - HA    LYS+ 102  16.47 +/- 4.43   0.409% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  19.64 +/- 3.74   0.278% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  19.05 +/- 4.45   0.341% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.42 +/- 0.96   0.108% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  23.30 +/- 2.96   0.108% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  23.69 +/- 5.38   0.157% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  28.15 +/- 2.16   0.058% *  0.0139% (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 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.8:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   2.98 +/- 0.62  89.499% * 99.3298% (1.00  10.0 10.00   5.75 160.78) =  99.992%  kept
          HG    LEU   40 - HA    LYS+ 102  12.31 +/- 4.07   3.101% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+ 102  16.96 +/- 2.84   0.934% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    LYS+ 102  19.75 +/- 4.57   1.040% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  18.38 +/- 4.42   0.678% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 102  17.90 +/- 3.92   0.636% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.26 +/- 1.80   0.481% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  20.98 +/- 6.90   1.037% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  19.05 +/- 1.61   0.521% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  18.79 +/- 3.92   0.710% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  18.56 +/- 1.61   0.486% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  18.76 +/- 3.00   0.531% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.01 +/- 1.39   0.346% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.993, support = 5.01, residual support = 159.1:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.24 +/- 0.74  50.595% * 94.8277% (1.00  10.0 10.00   5.05 160.78) =  98.942%  kept
          QB    LEU   98 - HA    LYS+ 102   4.51 +/- 0.77  24.013% *  1.9753% (0.34   1.0  1.00   1.22   1.60) =   0.978%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.69 +/- 0.88   2.392% *  0.8970% (0.95   1.0 10.00   0.02   0.02) =   0.044%
        T HG3   LYS+  33 - HA    LYS+ 102  16.55 +/- 3.49   0.692% *  0.8970% (0.95   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   98 - HA    LYS+ 102   5.73 +/- 1.33  18.621% *  0.0264% (0.28   1.0  1.00   0.02   1.60) =   0.010%
        T HG3   LYS+  65 - HA    LYS+ 102  22.52 +/- 4.41   0.452% *  0.9295% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          HB    VAL   42 - HA    LYS+ 102  12.78 +/- 2.39   1.037% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+ 102  17.21 +/- 2.54   0.489% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+ 102  22.79 +/- 4.03   0.286% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  18.98 +/- 4.15   0.399% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  24.48 +/- 1.40   0.148% *  0.0940% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.58 +/- 0.80   0.232% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  21.52 +/- 6.38   0.307% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.79 +/- 1.86   0.337% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 160.7:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.39 +/- 0.78  76.152% * 98.2489% (1.00 10.00   5.05 160.78) =  99.976%  kept
        T QD    LYS+  65 - HA    LYS+ 102  20.98 +/- 4.42   1.005% *  0.5562% (0.57 10.00   0.02   0.02) =   0.007%
          QD    LYS+  38 - HA    LYS+ 102  12.93 +/- 4.84   5.947% *  0.0787% (0.80  1.00   0.02   0.02) =   0.006%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.65 +/- 2.74   0.357% *  0.6749% (0.69 10.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - HA    LYS+ 102   8.22 +/- 0.93   7.142% *  0.0219% (0.22  1.00   0.02   1.29) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   9.55 +/- 1.15   4.527% *  0.0245% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 102  18.90 +/- 6.61   1.815% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 102  19.99 +/- 6.51   0.966% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  23.30 +/- 5.86   0.586% *  0.0907% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 102  17.92 +/- 2.33   0.811% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.88 +/- 0.97   0.321% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  22.02 +/- 1.15   0.370% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 160.6:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.62 +/- 0.27  88.179% * 98.4155% (1.00 10.00   5.05 160.78) =  99.895%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.84 +/- 0.82   7.091% *  0.6760% (0.69 10.00   0.02   1.29) =   0.055%
        T QE    LYS+  38 - HA    LYS+ 102  13.44 +/- 4.29   4.731% *  0.9085% (0.92 10.00   0.02   0.02) =   0.049%
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 160.8:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.15  91.785% * 99.1785% (1.00  10.0 10.00   6.31 160.78) =  99.988%  kept
        T HA    LYS+ 102 - HB    VAL   41  10.12 +/- 2.97   1.979% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.010%
          HA    CYS   21 - HB    VAL   41  12.01 +/- 3.17   3.492% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    LYS+ 102  18.76 +/- 3.45   0.376% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.78 +/- 2.94   1.282% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.48 +/- 0.70   0.176% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.81 +/- 3.03   0.101% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.71 +/- 2.18   0.099% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  23.31 +/- 3.23   0.150% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.86 +/- 2.54   0.209% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.59 +/- 1.49   0.182% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  20.86 +/- 2.41   0.170% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.996, support = 5.3, residual support = 160.0:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.42 +/- 0.13  69.045% * 90.3513% (1.00  10.0 10.00   5.31 160.78) =  99.446%  kept
          HG    LEU   40 - HB    VAL   41   6.44 +/- 0.86   4.628% *  6.5599% (0.36   1.0  1.00   4.04  20.73) =   0.484%  kept
        T QG    LYS+  66 - HB    VAL   41  13.54 +/- 3.79   7.882% *  0.3522% (0.39   1.0 10.00   0.02   0.02) =   0.044%
        T HG2   LYS+ 102 - HB    VAL   41  12.08 +/- 3.13   0.809% *  0.4060% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   67 - HB    VAL   41  11.62 +/- 2.55   1.078% *  0.2789% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   40 - QB    LYS+ 102  11.91 +/- 3.93   3.240% *  0.0723% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   67 - QB    LYS+ 102  17.55 +/- 4.26   0.356% *  0.6206% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T QG    LYS+  66 - QB    LYS+ 102  18.58 +/- 4.19   0.257% *  0.7837% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HB    VAL   41   9.05 +/- 2.73   3.304% *  0.0398% (0.44   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HB    VAL   41  12.64 +/- 2.39   1.613% *  0.0214% (0.24   1.0  1.00   0.02   0.11) =   0.001%
          HB3   LEU   67 - HB    VAL   41  10.88 +/- 2.15   1.143% *  0.0279% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+ 102  16.58 +/- 2.48   0.285% *  0.0886% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  17.10 +/- 3.89   0.358% *  0.0621% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.34 +/- 3.25   2.162% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  14.02 +/- 2.91   0.667% *  0.0325% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.89 +/- 1.81   0.194% *  0.0723% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  17.98 +/- 1.61   0.190% *  0.0475% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.16 +/- 6.08   0.239% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  16.95 +/- 3.78   0.304% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  16.92 +/- 1.69   0.239% *  0.0279% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  17.25 +/- 5.79   0.455% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  17.97 +/- 3.04   0.229% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  15.10 +/- 3.03   0.494% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  15.67 +/- 2.96   0.421% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  16.68 +/- 1.90   0.263% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.44 +/- 1.48   0.144% *  0.0225% (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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.928, support = 4.64, residual support = 147.7:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.31 +/- 0.16  47.843% * 58.8845% (1.00  10.0 10.00   4.75 160.78) =  90.276%  kept
        T QB    LEU   98 - HB    VAL   41   4.99 +/- 2.53  19.813% *  9.0252% (0.15   1.0 10.00   3.45  25.77) =   5.730%  kept
        T HB    VAL   42 - HB    VAL   41   5.40 +/- 0.72   4.318% * 25.9346% (0.44   1.0 10.00   4.15  28.96) =   3.589%  kept
          HG    LEU   98 - HB    VAL   41   5.70 +/- 2.74  12.309% *  0.4450% (0.12   1.0  1.00   1.21  25.77) =   0.176%  kept
          QB    LEU   98 - QB    LYS+ 102   5.37 +/- 0.53   3.946% *  1.3214% (0.34   1.0  1.00   1.32   1.60) =   0.167%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   8.98 +/- 0.95   0.881% *  0.5570% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  65 - HB    VAL   41  14.68 +/- 4.39   1.820% *  0.2593% (0.44   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+  33 - HB    VAL   41  10.11 +/- 2.11   0.906% *  0.2503% (0.43   1.0 10.00   0.02   0.02) =   0.007%
        T HB    VAL   42 - QB    LYS+ 102  12.50 +/- 2.36   0.357% *  0.5772% (0.98   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 106 - HB    VAL   41  11.26 +/- 1.42   0.452% *  0.2503% (0.43   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HB    VAL   41  12.61 +/- 3.25   0.419% *  0.2646% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QB    LYS+ 102  15.89 +/- 3.34   0.191% *  0.5570% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QB    LYS+ 102  21.33 +/- 4.06   0.097% *  0.5772% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QB    LYS+ 102   6.65 +/- 1.38   3.162% *  0.0164% (0.28   1.0  1.00   0.02   1.60) =   0.002%
          HB3   LEU   73 - HB    VAL   41   9.49 +/- 2.47   1.337% *  0.0264% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.43 +/- 1.21   0.052% *  0.5836% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  19.72 +/- 2.85   0.099% *  0.2622% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  16.85 +/- 2.33   0.133% *  0.0588% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  18.03 +/- 3.44   0.145% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.28 +/- 3.71   0.078% *  0.0357% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.28 +/- 2.95   0.173% *  0.0160% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  11.70 +/- 2.01   0.640% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.31 +/- 0.69   0.081% *  0.0242% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  15.75 +/- 1.62   0.179% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  16.51 +/- 2.77   0.164% *  0.0099% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  19.30 +/- 6.11   0.138% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.77 +/- 3.97   0.170% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.12 +/- 1.83   0.096% *  0.0091% (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 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 160.7:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.34 +/- 0.30  73.505% * 94.6216% (1.00  10.0 10.00   4.75 160.78) =  99.935%  kept
        T QD    LYS+  38 - QB    LYS+ 102  11.84 +/- 4.75   2.411% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.026%
        T QD    LYS+  65 - HB    VAL   41  14.30 +/- 4.35   4.093% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.014%
        T QD    LYS+ 102 - HB    VAL   41  11.27 +/- 2.80   1.181% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HB    VAL   41  10.79 +/- 1.09   0.887% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - QB    LYS+ 102  19.77 +/- 3.96   0.333% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  123 - HB    VAL   41  18.43 +/- 3.78   0.314% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QB    LYS+ 102   7.46 +/- 1.33   4.826% *  0.0211% (0.22   1.0  1.00   0.02   1.29) =   0.001%
        T HG3   PRO   93 - QB    LYS+ 102  21.34 +/- 0.80   0.108% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HB    VAL   41  18.14 +/- 1.78   0.203% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.42 +/- 2.64   0.112% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.84 +/- 1.01   2.005% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HB    VAL   41   8.74 +/- 2.13   4.793% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB    VAL   41  20.98 +/- 3.42   0.144% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41  10.12 +/- 2.24   1.546% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  17.24 +/- 6.34   0.529% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  19.21 +/- 5.57   0.294% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  21.06 +/- 5.59   0.175% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.54 +/- 4.20   0.648% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  17.19 +/- 5.09   0.472% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.22 +/- 1.55   0.918% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.48 +/- 2.09   0.219% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.52 +/- 0.94   0.121% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.76 +/- 1.16   0.162% *  0.0241% (0.25   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 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.987, support = 4.68, residual support = 157.7:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.44 +/- 0.51  81.833% * 84.3374% (1.00 10.00   4.75 160.78) =  98.116%  kept
        T QE    LYS+  99 - HB    VAL   41   8.36 +/- 1.97   9.399% * 13.5759% (0.31 10.00   1.04   0.02) =   1.814%  kept
        T QE    LYS+  99 - QB    LYS+ 102   8.17 +/- 1.05   3.595% *  0.5793% (0.69 10.00   0.02   1.29) =   0.030%
        T QE    LYS+  38 - QB    LYS+ 102  12.29 +/- 4.24   2.360% *  0.7785% (0.92 10.00   0.02   0.02) =   0.026%
        T QE    LYS+ 102 - HB    VAL   41  11.43 +/- 2.79   1.467% *  0.3790% (0.45 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  38 - HB    VAL   41  11.18 +/- 1.55   1.346% *  0.3498% (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 = 160.8:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   2.98 +/- 0.62  96.032% * 99.7392% (1.00  10.0 10.00   5.75 160.78) =  99.997%  kept
          HA    CYS   21 - HG2   LYS+ 102  20.82 +/- 4.19   2.516% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - HG2   LYS+ 102  22.16 +/- 3.18   0.816% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.60 +/- 1.39   0.321% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  30.53 +/- 3.55   0.152% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.28 +/- 2.51   0.162% *  0.0447% (0.45   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 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 160.4:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.42 +/- 0.13  93.883% * 91.6925% (1.00  10.0 10.00   5.31 160.78) =  99.695%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.48 +/- 0.76   3.710% *  6.8954% (0.34   1.0  1.00   4.41  23.47) =   0.296%  kept
        T HB    VAL   41 - HG2   LYS+ 102  12.08 +/- 3.13   1.096% *  0.4463% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+  66 - HG2   LYS+ 102  20.66 +/- 4.73   0.259% *  0.6298% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG2   LYS+ 102  18.05 +/- 4.93   0.389% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.31 +/- 3.98   0.251% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.06 +/- 1.35   0.101% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.63 +/- 3.77   0.119% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  24.73 +/- 5.72   0.137% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.80 +/- 2.53   0.055% *  0.0141% (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 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 = 4.43, residual support = 160.8:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  94.811% * 96.7067% (1.00  10.0 10.00   4.43 160.78) =  99.992%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.98 +/- 1.42   0.459% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.65 +/- 3.96   0.137% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.47 +/- 0.67   2.086% *  0.0330% (0.34   1.0  1.00   0.02   1.60) =   0.001%
        T HG3   LYS+  65 - HG2   LYS+ 102  24.46 +/- 4.67   0.059% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   7.88 +/- 1.45   1.778% *  0.0269% (0.28   1.0  1.00   0.02   1.60) =   0.001%
          HB    VAL   42 - HG2   LYS+ 102  14.61 +/- 2.72   0.211% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.19 +/- 2.30   0.081% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  23.54 +/- 4.50   0.061% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  20.46 +/- 4.12   0.086% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  25.98 +/- 2.02   0.031% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.30 +/- 1.14   0.047% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  22.13 +/- 6.85   0.089% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.71 +/- 2.13   0.063% *  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 = 4.43, residual support = 160.8:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.25 +/- 0.13  90.633% * 98.2489% (1.00  10.0 10.00   4.43 160.78) =  99.992%  kept
          QD    LYS+  38 - HG2   LYS+ 102  13.49 +/- 5.76   4.962% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG2   LYS+ 102  22.67 +/- 4.60   0.182% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.84 +/- 2.88   0.085% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   8.81 +/- 1.33   2.168% *  0.0219% (0.22   1.0  1.00   0.02   1.29) =   0.001%
          QD    LYS+ 106 - HG2   LYS+ 102  10.70 +/- 1.43   1.026% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  20.03 +/- 6.97   0.307% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  21.77 +/- 6.56   0.203% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  24.29 +/- 6.32   0.122% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.56 +/- 1.34   0.073% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.83 +/- 2.13   0.154% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.62 +/- 1.50   0.084% *  0.0556% (0.57   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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 160.6:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.12 +/- 0.47  88.773% * 98.4155% (1.00  10.0 10.00   4.43 160.78) =  99.895%  kept
        T QE    LYS+  38 - HG2   LYS+ 102  14.02 +/- 5.22   6.849% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.071%
        T QE    LYS+  99 - HG2   LYS+ 102   9.57 +/- 1.12   4.378% *  0.6760% (0.69   1.0 10.00   0.02   1.29) =   0.034%
    Distance limit 4.88 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 = 160.7:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.24 +/- 0.74  68.113% * 97.9004% (1.00  10.0 10.00   5.05 160.78) =  99.961%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.69 +/- 0.88   3.636% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LYS+ 102 - HG3   LYS+  33  16.55 +/- 3.49   1.099% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+ 102 - HG3   LYS+  65  22.52 +/- 4.41   0.651% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.008%
          HA    CYS   21 - HG3   LYS+  65  15.34 +/- 3.98   3.942% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.004%
          HA    CYS   21 - HG3   LYS+ 102  21.35 +/- 4.20   1.896% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - HG3   LYS+  65  12.84 +/- 4.85   7.966% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  11.11 +/- 1.72   2.883% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - HG3   LYS+  65  19.13 +/- 3.92   1.067% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HG3   LYS+  65  16.70 +/- 3.05   1.057% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  33  12.60 +/- 1.24   1.677% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.14 +/- 0.40   1.721% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.64 +/- 3.12   0.758% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.60 +/- 2.96   0.360% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.45 +/- 1.24   0.286% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  19.40 +/- 3.01   0.699% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  30.67 +/- 3.86   0.118% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  28.75 +/- 3.42   0.224% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.40 +/- 2.75   0.136% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  26.77 +/- 2.93   0.211% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  22.37 +/- 3.56   0.341% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.72 +/- 3.07   0.473% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.23 +/- 1.81   0.136% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.81 +/- 2.22   0.551% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.908, support = 5.19, residual support = 157.7:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.31 +/- 0.16  38.329% * 49.5198% (1.00  10.0 10.00   4.75 160.78) =  56.780%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.38 +/- 0.13  35.140% * 39.5008% (0.80  10.0  1.00   5.84 158.63) =  41.523%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.48 +/- 1.42   8.754% *  5.8768% (0.56   1.0  1.00   4.25  30.94) =   1.539%  kept
          HG12  ILE  103 - HG3   LYS+ 102   7.56 +/- 0.86   1.382% *  3.2675% (0.34   1.0  1.00   3.87  23.47) =   0.135%  kept
        T HB    VAL   41 - HG3   LYS+  65  14.68 +/- 4.39   1.282% *  0.1962% (0.40   1.0 10.00   0.02   0.02) =   0.008%
        T HB    VAL   41 - HG3   LYS+ 102  12.61 +/- 3.25   0.384% *  0.2410% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG3   LYS+  65  12.63 +/- 3.08   2.377% *  0.0389% (0.79   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - HG3   LYS+  33  10.11 +/- 2.11   0.677% *  0.1197% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.98 +/- 0.95   0.708% *  0.0902% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+  33  15.89 +/- 3.34   0.168% *  0.2460% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  21.33 +/- 4.06   0.078% *  0.4030% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  33  10.49 +/- 3.30   1.078% *  0.0237% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  11.26 +/- 1.42   0.382% *  0.0439% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  65  11.89 +/- 4.93   0.843% *  0.0196% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.34 +/- 1.51   5.099% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  16.53 +/- 3.21   0.337% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  18.69 +/- 4.65   0.122% *  0.0478% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  15.90 +/- 3.13   0.227% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  12.97 +/- 2.39   0.350% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.67 +/- 3.77   0.082% *  0.0485% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  20.98 +/- 4.60   0.093% *  0.0340% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.56 +/- 2.37   0.153% *  0.0169% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  19.10 +/- 4.06   0.144% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  16.72 +/- 4.46   0.285% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.50 +/- 3.83   0.269% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.10 +/- 1.49   0.036% *  0.0457% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.42 +/- 3.29   0.178% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.43 +/- 1.75   0.182% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  17.51 +/- 3.31   0.155% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.85 +/- 2.50   0.124% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.16 +/- 3.50   0.037% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.48 +/- 1.99   0.031% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  22.72 +/- 5.10   0.166% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.95 +/- 6.04   0.056% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.94 +/- 2.01   0.065% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  23.22 +/- 2.67   0.041% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.82 +/- 2.65   0.020% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.86 +/- 3.73   0.081% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  20.20 +/- 2.81   0.068% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.21 +/- 3.14   0.019% *  0.0038% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.996, support = 4.42, residual support = 159.1:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  66.068% * 85.1585% (1.00  10.0 10.00   4.43 160.78) =  98.679%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.38 +/- 1.35   6.096% * 12.1982% (0.71   1.0  1.00   4.06  30.94) =   1.304%  kept
          QB    ALA   61 - HG3   LYS+  65   4.94 +/- 1.82   9.985% *  0.0365% (0.43   1.0  1.00   0.02   0.02) =   0.006%
          HG12  ILE   19 - HG3   LYS+  65  12.39 +/- 4.93   7.767% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HG3   LYS+  65   7.80 +/- 1.37   1.127% *  0.0476% (0.56   1.0  1.00   0.02   0.41) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.98 +/- 1.42   0.322% *  0.1552% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HG3   LYS+  65  12.95 +/- 3.02   0.763% *  0.0555% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   7.73 +/- 1.01   0.886% *  0.0476% (0.56   1.0  1.00   0.02   0.41) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.65 +/- 3.96   0.095% *  0.4230% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  65  24.46 +/- 4.67   0.041% *  0.6930% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  14.42 +/- 4.32   0.308% *  0.0682% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33  11.30 +/- 3.56   0.492% *  0.0415% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  13.13 +/- 2.33   0.221% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  13.96 +/- 2.15   0.205% *  0.0555% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.47 +/- 3.32   0.377% *  0.0291% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.43 +/- 1.64   0.845% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  11.88 +/- 1.77   0.257% *  0.0339% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.77 +/- 2.62   0.270% *  0.0291% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.40 +/- 2.62   0.306% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.74 +/- 4.72   0.071% *  0.0739% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  19.32 +/- 2.83   0.060% *  0.0835% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  20.64 +/- 4.61   0.067% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.10 +/- 2.52   0.105% *  0.0367% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  20.17 +/- 4.17   0.065% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  15.91 +/- 2.88   0.158% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  12.13 +/- 1.97   0.255% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  20.98 +/- 2.09   0.043% *  0.0682% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  23.10 +/- 7.23   0.095% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.64 +/- 2.10   0.149% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  16.11 +/- 3.06   0.164% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  12.96 +/- 2.30   0.201% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  17.58 +/- 4.57   0.171% *  0.0135% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  17.40 +/- 2.60   0.097% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  20.91 +/- 1.82   0.043% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.04 +/- 1.69   0.369% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  21.37 +/- 3.12   0.048% *  0.0339% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.76 +/- 4.54   0.072% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  19.49 +/- 3.53   0.065% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  19.48 +/- 1.90   0.054% *  0.0263% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.10 +/- 4.24   0.122% *  0.0107% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  21.68 +/- 7.14   0.085% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  19.34 +/- 4.17   0.115% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  20.70 +/- 3.34   0.055% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.73 +/- 3.24   0.104% *  0.0107% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.63 +/- 2.24   0.125% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  19.47 +/- 6.08   0.149% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.73 +/- 1.63   0.032% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  14.82 +/- 3.16   0.156% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.73 +/- 1.41   0.151% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  22.67 +/- 3.10   0.039% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.48 +/- 2.00   0.030% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.36 +/- 2.06   0.054% *  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 = 4.1, residual support = 159.2:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.42 +/- 0.12  28.243% * 63.6907% (1.00  10.0 10.00   4.00 160.78) =  64.765%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.38 +/- 0.14  30.091% * 29.3443% (0.46  10.0 10.00   4.24 158.63) =  31.792%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.31 +/- 0.15  32.852% *  2.8935% (0.05  10.0  1.00   4.62 135.65) =   3.423%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.46 +/- 1.86   0.719% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+  38 - HG3   LYS+ 102  14.12 +/- 5.56   1.249% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG3   LYS+  33  16.90 +/- 3.79   0.304% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  65  12.60 +/- 1.87   0.243% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  16.52 +/- 3.57   0.142% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  33  12.59 +/- 3.26   0.319% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  22.19 +/- 4.23   0.061% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 102  23.02 +/- 4.33   0.061% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.70 +/- 2.89   0.225% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.00 +/- 2.74   0.044% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  20.29 +/- 2.41   0.056% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.77 +/- 3.02   0.031% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  17.94 +/- 4.68   0.302% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  18.96 +/- 3.91   0.163% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.26 +/- 1.13   0.407% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   9.34 +/- 1.30   0.682% *  0.0142% (0.22   1.0  1.00   0.02   1.29) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  16.58 +/- 2.80   0.157% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  16.55 +/- 2.75   0.148% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  16.89 +/- 3.03   0.131% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.51 +/- 1.32   0.394% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  15.27 +/- 2.38   0.161% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  28.64 +/- 3.24   0.020% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  20.25 +/- 7.24   0.124% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  22.51 +/- 5.35   0.139% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  21.96 +/- 6.71   0.083% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  24.54 +/- 6.61   0.050% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  19.32 +/- 3.05   0.099% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  12.81 +/- 2.59   0.322% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  14.64 +/- 6.09   0.339% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.42 +/- 4.68   0.160% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  20.33 +/- 2.57   0.053% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.62 +/- 1.43   0.028% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  20.43 +/- 4.87   0.093% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  22.53 +/- 6.83   0.073% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.02 +/- 1.18   0.124% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.95 +/- 3.53   0.104% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.58 +/- 1.76   0.032% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  17.78 +/- 5.17   0.151% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.96 +/- 1.55   0.162% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.20 +/- 1.24   0.397% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  19.75 +/- 4.36   0.075% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.48 +/- 2.05   0.026% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.65 +/- 1.81   0.079% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.25 +/- 2.23   0.062% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.67 +/- 1.91   0.022% *  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 = 160.7:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.45 +/- 0.29  88.231% * 94.7812% (1.00  10.0 10.00   4.00 160.78) =  99.933%  kept
        T QE    LYS+  38 - HG3   LYS+ 102  14.59 +/- 5.08   2.111% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.022%
        T QE    LYS+  99 - HG3   LYS+ 102  10.14 +/- 1.07   1.540% *  0.6511% (0.69   1.0 10.00   0.02   1.29) =   0.012%
        T QE    LYS+  38 - HG3   LYS+  33  10.44 +/- 1.34   1.405% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  38 - HG3   LYS+  65  18.02 +/- 4.81   0.689% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.29 +/- 2.01   2.204% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  99 - HG3   LYS+  33  12.08 +/- 2.40   1.122% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  99 - HG3   LYS+  65  16.87 +/- 4.96   0.648% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+ 102 - HG3   LYS+  33  16.81 +/- 3.75   0.590% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+ 102 - HG3   LYS+  65  22.27 +/- 3.99   0.192% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+ 106  11.76 +/- 1.41   1.000% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  18.11 +/- 1.59   0.268% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.60 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 = 0.999, support = 5.05, residual support = 160.7:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.39 +/- 0.78  54.840% * 98.9625% (1.00 10.00   5.05 160.78) =  99.929%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.50 +/- 2.47  21.052% *  0.1493% (0.13  1.00   0.24   0.02) =   0.058%
          HA    CYS   21 - QD    LYS+ 102  19.00 +/- 3.68   2.274% *  0.0827% (0.84  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 102 - QD    LYS+  65  20.98 +/- 4.42   0.629% *  0.2501% (0.25 10.00   0.02   0.02) =   0.003%
          HA    CYS   50 - HD2   LYS+ 111  15.56 +/- 5.74  11.501% *  0.0116% (0.12  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.65 +/- 2.74   0.248% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    ALA   20 - QD    LYS+ 102  20.17 +/- 3.07   0.946% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  17.50 +/- 4.15   1.142% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  14.70 +/- 3.29   0.878% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  18.52 +/- 5.00   1.085% *  0.0167% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.73 +/- 1.73   0.354% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  15.36 +/- 3.44   1.497% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  26.98 +/- 3.48   0.227% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.36 +/- 4.03   2.041% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.01 +/- 2.62   0.204% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.88 +/- 3.23   0.547% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  24.81 +/- 3.69   0.288% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  23.78 +/- 2.99   0.246% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.823, support = 4.85, residual support = 158.6:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.34 +/- 0.30  35.005% * 70.3462% (1.00  10.0 10.00   4.75 160.78) =  76.517%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.18 +/- 0.12  41.161% * 17.4282% (0.25  10.0 10.00   5.32 158.63) =  22.291%  kept
          QB    LYS+  66 - QD    LYS+  65   5.23 +/- 0.87   5.371% *  2.6502% (0.17   1.0  1.00   4.34  30.94) =   0.442%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.40 +/- 3.84   6.817% *  1.9284% (0.24   1.0 10.00   0.23   0.02) =   0.408%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.63 +/- 1.08   2.208% *  4.6749% (0.34   1.0  1.00   3.90  23.47) =   0.321%  kept
        T HB    VAL   41 - QD    LYS+  65  14.30 +/- 4.35   2.017% *  0.0865% (0.12   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   41 - QD    LYS+ 102  11.27 +/- 2.80   0.456% *  0.3424% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  65 - QD    LYS+ 102  19.33 +/- 3.65   0.132% *  0.6895% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   PRO   93 - QD    LYS+  65  15.35 +/- 3.38   0.371% *  0.1641% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   PRO   93 - QD    LYS+ 102  21.25 +/- 1.70   0.050% *  0.6494% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.32 +/- 3.10   1.510% *  0.0172% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QD    LYS+  65  19.77 +/- 3.96   0.129% *  0.1778% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - QD    LYS+  65  14.98 +/- 3.78   0.725% *  0.0274% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+ 102  16.64 +/- 4.75   0.230% *  0.0679% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.76 +/- 2.16   0.073% *  0.1803% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.42 +/- 2.64   0.049% *  0.1839% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65  11.05 +/- 4.22   0.991% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.77 +/- 4.35   0.144% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  22.27 +/- 4.91   0.063% *  0.1085% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  20.98 +/- 3.42   0.060% *  0.0895% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  12.61 +/- 5.91   1.618% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  18.62 +/- 2.03   0.076% *  0.0284% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.42 +/- 3.89   0.061% *  0.0342% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  17.97 +/- 4.15   0.334% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.69 +/- 2.93   0.103% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.40 +/- 3.54   0.038% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.96 +/- 2.28   0.070% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  26.26 +/- 2.48   0.027% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.19 +/- 2.29   0.085% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.75 +/- 3.33   0.026% *  0.0090% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.991, support = 4.42, residual support = 159.2:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.25 +/- 0.13  44.685% * 92.9302% (1.00  10.0 10.00   4.43 160.78) =  98.833%  kept
          QG    LYS+  66 - QD    LYS+  65   5.03 +/- 1.37   8.600% *  4.5287% (0.22   1.0  1.00   4.45  30.94) =   0.927%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.04 +/- 1.12   8.234% *  1.1418% (0.08   1.0  1.00   3.05   9.08) =   0.224%  kept
          QB    ALA   61 - QD    LYS+  65   4.80 +/- 1.67  16.527% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   40 - QD    LYS+  65  12.61 +/- 3.34   9.326% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   40 - QD    LYS+ 102  12.86 +/- 4.12   0.779% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HD2   LYS+ 111   9.99 +/- 1.55   1.314% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    LYS+  65   7.77 +/- 1.08   1.479% *  0.0161% (0.17   1.0  1.00   0.02   0.41) =   0.001%
          HB3   LEU   67 - QD    LYS+  65   7.91 +/- 1.13   1.305% *  0.0161% (0.17   1.0  1.00   0.02   0.41) =   0.001%
        T HG2   LYS+ 102 - QD    LYS+  65  22.67 +/- 4.60   0.086% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  17.10 +/- 2.50   0.133% *  0.0911% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.12 +/- 4.20   2.020% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.84 +/- 2.88   0.042% *  0.2429% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  18.48 +/- 4.53   0.144% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.42 +/- 4.42   0.112% *  0.0806% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.94 +/- 2.32   0.382% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  18.07 +/- 4.06   0.134% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.09 +/- 1.95   0.421% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.61 +/- 2.20   0.098% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.37 +/- 2.46   0.946% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.42 +/- 1.58   0.803% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  18.54 +/- 2.15   0.096% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  20.33 +/- 6.36   0.145% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.24 +/- 2.09   0.119% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.17 +/- 2.64   0.259% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.62 +/- 3.72   0.137% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  18.50 +/- 3.34   0.119% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.03 +/- 4.35   0.097% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.32 +/- 2.14   0.391% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  19.30 +/- 3.30   0.103% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.13 +/- 1.82   0.071% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  20.86 +/- 3.56   0.082% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  13.19 +/- 1.34   0.255% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.75 +/- 4.14   0.085% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.44 +/- 3.94   0.084% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.91 +/- 2.57   0.181% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  18.10 +/- 3.16   0.110% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.11 +/- 5.52   0.060% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  24.93 +/- 2.71   0.037% *  0.0061% (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 = 4.05, residual support = 159.8:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.42 +/- 0.12  38.360% * 72.7035% (1.00  10.0 10.00   4.00 160.78) =  79.087%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.38 +/- 0.14  40.175% * 18.0122% (0.25  10.0 10.00   4.24 158.63) =  20.521%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.22 +/- 1.38   2.732% *  4.4665% (0.26   1.0  1.00   4.74  28.58) =   0.346%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.46 +/- 1.86   0.949% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.019%
        T HB3   PRO   93 - HD2   LYS+ 111  10.07 +/- 3.28   3.273% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QD    LYS+ 102  16.52 +/- 3.57   0.184% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU   73 - QD    LYS+ 102  17.33 +/- 2.20   0.120% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - QD    LYS+  65  16.90 +/- 3.79   0.476% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    LYS+ 102   6.15 +/- 0.83   2.930% *  0.0248% (0.34   1.0  1.00   0.02   1.60) =   0.002%
        T HG3   LYS+  65 - QD    LYS+ 102  22.19 +/- 4.23   0.086% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.70 +/- 2.89   0.290% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   7.61 +/- 1.42   2.134% *  0.0202% (0.28   1.0  1.00   0.02   1.60) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  18.96 +/- 3.91   0.231% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  65  11.79 +/- 2.82   1.326% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  13.35 +/- 2.48   0.315% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HD2   LYS+ 111  21.20 +/- 3.93   0.091% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.02 +/- 4.33   0.090% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.00 +/- 2.74   0.061% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.77 +/- 3.02   0.042% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.60 +/- 4.93   1.440% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  12.53 +/- 1.80   0.379% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  15.13 +/- 3.77   0.846% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  15.61 +/- 3.62   0.452% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.06 +/- 2.70   0.275% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  28.64 +/- 3.24   0.027% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.02 +/- 3.78   0.146% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  21.48 +/- 4.22   0.083% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  22.98 +/- 2.08   0.048% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  17.39 +/- 2.85   0.132% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  10.21 +/- 1.97   0.819% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.72 +/- 1.60   0.076% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.25 +/- 2.55   0.282% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  20.01 +/- 6.05   0.138% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.19 +/- 2.53   0.166% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  19.64 +/- 2.03   0.090% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.03 +/- 2.99   0.132% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.53 +/- 2.45   0.253% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.43 +/- 2.19   0.100% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  28.89 +/- 4.59   0.033% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.18 +/- 2.93   0.069% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.39 +/- 1.63   0.068% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  21.16 +/- 3.17   0.078% *  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 = 0.999, support = 4.0, residual support = 160.7:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.03  90.348% * 97.1326% (1.00  10.0 10.00   4.00 160.78) =  99.925%  kept
        T QE    LYS+  38 - QD    LYS+ 102  13.15 +/- 4.92   5.569% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.057%
        T QE    LYS+  99 - QD    LYS+ 102   9.31 +/- 1.44   1.625% *  0.6672% (0.69   1.0 10.00   0.02   1.29) =   0.012%
        T QE    LYS+  99 - QD    LYS+  65  15.78 +/- 4.77   1.379% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  38 - QD    LYS+  65  16.87 +/- 4.55   0.619% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - QD    LYS+  65  20.63 +/- 3.87   0.178% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.87 +/- 2.84   0.098% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  26.60 +/- 4.36   0.081% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.14 +/- 2.63   0.104% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 160.7:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.62 +/- 0.27  80.001% * 98.6090% (1.00 10.00   5.05 160.78) =  99.928%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.84 +/- 0.82   6.431% *  0.6725% (0.68 10.00   0.02   1.29) =   0.055%
        T HA    LYS+ 102 - QE    LYS+  38  13.44 +/- 4.29   4.294% *  0.2257% (0.23 10.00   0.02   0.02) =   0.012%
          HA    CYS   21 - QE    LYS+ 102  19.10 +/- 3.43   1.352% *  0.0824% (0.84  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+  99  16.49 +/- 3.20   1.698% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QE    LYS+ 102  19.52 +/- 1.91   0.583% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  26.76 +/- 3.73   0.370% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.32 +/- 2.34   0.812% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.49 +/- 1.18   0.467% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.31 +/- 2.56   0.744% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  24.81 +/- 2.61   0.318% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.00 +/- 2.40   1.009% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  26.44 +/- 2.35   0.249% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.01 +/- 2.06   0.301% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  19.01 +/- 2.36   0.708% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.17 +/- 2.65   0.271% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  29.96 +/- 3.52   0.179% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  27.77 +/- 2.85   0.214% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.983, support = 4.67, residual support = 156.9:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.44 +/- 0.51  63.599% * 79.0868% (1.00 10.00   4.75 160.78) =  97.501%  kept
        T HB    VAL   41 - QE    LYS+  99   8.36 +/- 1.97   7.251% * 13.6921% (0.33 10.00   1.04   0.02) =   1.925%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.50 +/- 1.10   4.982% *  5.3455% (0.34  1.00   3.96  23.47) =   0.516%  kept
        T QB    LYS+ 102 - QE    LYS+  99   8.17 +/- 1.05   2.784% *  0.5394% (0.68 10.00   0.02   1.29) =   0.029%
        T HB    VAL   41 - QE    LYS+ 102  11.43 +/- 2.79   1.130% *  0.3850% (0.49 10.00   0.02   0.02) =   0.008%
          HB2   LEU   71 - QE    LYS+  99  10.71 +/- 4.60   7.937% *  0.0521% (0.66  1.00   0.02   0.02) =   0.008%
        T QB    LYS+ 102 - QE    LYS+  38  12.29 +/- 4.24   1.837% *  0.1810% (0.23 10.00   0.02   0.02) =   0.006%
        T HB    VAL   41 - QE    LYS+  38  11.18 +/- 1.55   1.043% *  0.0881% (0.11 10.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - QE    LYS+  99  14.54 +/- 4.18   0.854% *  0.0529% (0.67  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+ 102  16.90 +/- 4.40   0.400% *  0.0763% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  38  11.04 +/- 3.53   1.663% *  0.0175% (0.22  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  99  13.72 +/- 4.38   0.663% *  0.0370% (0.47  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.45 +/- 0.84   1.295% *  0.0184% (0.23  1.00   0.02   0.50) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  19.39 +/- 3.43   0.225% *  0.0775% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.88 +/- 4.26   0.279% *  0.0543% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.11 +/- 1.83   0.131% *  0.0730% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.96 +/- 3.68   0.352% *  0.0263% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  15.99 +/- 3.88   0.431% *  0.0177% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.74 +/- 1.40   0.133% *  0.0498% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  16.27 +/- 5.49   0.750% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  15.13 +/- 2.97   0.445% *  0.0124% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.70 +/- 3.49   0.120% *  0.0385% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  17.43 +/- 3.49   0.348% *  0.0088% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  15.11 +/- 2.36   0.424% *  0.0062% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  25.10 +/- 2.97   0.116% *  0.0167% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  22.59 +/- 5.05   0.155% *  0.0122% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  19.77 +/- 5.45   0.449% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  26.08 +/- 2.38   0.077% *  0.0122% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  25.45 +/- 2.04   0.074% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  29.83 +/- 2.54   0.052% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.995, support = 4.39, residual support = 159.1:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.12 +/- 0.47  45.470% * 95.5580% (1.00  10.0 10.00   4.43 160.78) =  98.922%  kept
          HG    LEU   40 - QE    LYS+  99   6.59 +/- 4.42  18.399% *  2.3918% (0.55   1.0  1.00   0.92   9.75) =   1.002%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.57 +/- 1.12   2.286% *  0.6517% (0.68   1.0 10.00   0.02   1.29) =   0.034%
        T HG2   LYS+ 102 - QE    LYS+  38  14.02 +/- 5.22   3.530% *  0.2187% (0.23   1.0 10.00   0.02   0.02) =   0.018%
          HG    LEU   40 - QE    LYS+ 102  13.25 +/- 3.96   3.605% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   67 - QE    LYS+  99  12.38 +/- 4.50   3.187% *  0.0448% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QE    LYS+  99  12.97 +/- 4.69   1.515% *  0.0448% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QE    LYS+  99  14.26 +/- 2.24   0.846% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  99  14.33 +/- 4.60   0.941% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  38   9.59 +/- 1.92   2.959% *  0.0175% (0.18   1.0  1.00   0.02   0.72) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  17.06 +/- 2.85   0.404% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+ 102  18.63 +/- 4.27   0.504% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+ 102  19.54 +/- 4.30   0.388% *  0.0829% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  38  13.77 +/- 3.30   2.035% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+ 102  18.20 +/- 3.78   0.454% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  99  15.62 +/- 2.08   0.535% *  0.0522% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+  99  14.82 +/- 2.79   0.743% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+ 102  18.70 +/- 2.10   0.300% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QE    LYS+ 102  20.13 +/- 6.26   0.626% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  13.40 +/- 3.71   1.110% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  15.58 +/- 3.36   0.868% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.67 +/- 2.87   0.933% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  18.60 +/- 1.75   0.271% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  14.53 +/- 2.51   0.894% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.06 +/- 2.04   0.376% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  16.69 +/- 4.78   2.025% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.97 +/- 2.37   0.512% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  17.90 +/- 3.78   0.445% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  20.42 +/- 3.80   0.444% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.19 +/- 1.95   0.368% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  18.73 +/- 3.14   0.288% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.97 +/- 1.75   0.370% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.35 +/- 4.73   0.246% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  16.91 +/- 2.92   0.462% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.21 +/- 1.66   0.218% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  14.54 +/- 2.98   0.800% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  21.74 +/- 3.59   0.292% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  21.91 +/- 2.81   0.201% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  23.77 +/- 4.45   0.148% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 160.1:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.45 +/- 0.29  66.200% * 87.1325% (1.00  10.0 10.00   4.00 160.78) =  99.511%  kept
          QB    LEU   98 - QE    LYS+  99   6.74 +/- 0.70   3.607% *  4.2900% (0.23   1.0  1.00   4.23  17.72) =   0.267%  kept
          HG    LEU   98 - QE    LYS+  99   7.48 +/- 1.49   3.728% *  2.1505% (0.19   1.0  1.00   2.60  17.72) =   0.138%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.29 +/- 2.01   1.649% *  0.8242% (0.95   1.0 10.00   0.02   0.02) =   0.023%
        T HG3   LYS+ 102 - QE    LYS+  99  10.14 +/- 1.07   1.154% *  0.5942% (0.68   1.0 10.00   0.02   1.29) =   0.012%
        T HG3   LYS+  33 - QE    LYS+  99  12.08 +/- 2.40   0.839% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - QE    LYS+  99  11.76 +/- 1.41   0.750% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QE    LYS+ 102  16.81 +/- 3.75   0.441% *  0.8242% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - QE    LYS+  38  14.59 +/- 5.08   1.585% *  0.1995% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - QE    LYS+  99  16.87 +/- 4.96   0.487% *  0.5825% (0.67   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QE    LYS+  38  10.44 +/- 1.34   1.052% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QE    LYS+ 102   6.36 +/- 0.63   4.284% *  0.0297% (0.34   1.0  1.00   0.02   1.60) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  22.27 +/- 3.99   0.144% *  0.8541% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+  99   9.20 +/- 2.51   1.914% *  0.0582% (0.67   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QE    LYS+  38  18.02 +/- 4.81   0.518% *  0.1955% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   7.90 +/- 1.14   2.711% *  0.0242% (0.28   1.0  1.00   0.02   1.60) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  13.54 +/- 2.26   0.518% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  18.11 +/- 1.59   0.201% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  14.74 +/- 1.92   0.376% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  17.26 +/- 2.56   0.244% *  0.0869% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  14.41 +/- 6.53   1.381% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  13.16 +/- 1.86   0.548% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.37 +/- 3.91   0.278% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  17.76 +/- 3.75   0.247% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  21.81 +/- 3.93   0.144% *  0.0528% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  20.76 +/- 1.95   0.123% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.01 +/- 1.77   0.084% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  11.50 +/- 2.28   0.980% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  20.32 +/- 6.13   0.300% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.44 +/- 2.84   0.931% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.61 +/- 1.72   0.137% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.82 +/- 1.68   0.244% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.77 +/- 3.70   0.370% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.91 +/- 1.33   0.156% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  19.67 +/- 2.16   0.145% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.48 +/- 2.71   0.318% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  16.15 +/- 5.49   0.529% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  25.23 +/- 3.99   0.099% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  19.66 +/- 1.64   0.145% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  23.30 +/- 2.90   0.094% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  22.41 +/- 2.48   0.103% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  18.48 +/- 3.24   0.241% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.788, support = 4.01, residual support = 170.7:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.03  28.293% * 72.2175% (1.00  10.0 10.00   4.00 160.78) =  74.537%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  28.750% * 13.2369% (0.18  10.0  1.00   3.74 221.17) =  13.883%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  28.827% * 10.9650% (0.15  10.0 10.00   4.44 174.46) =  11.530%  kept
        T QD    LYS+ 102 - QE    LYS+  38  13.15 +/- 4.92   1.731% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 102 - QE    LYS+  99   9.31 +/- 1.44   0.510% *  0.4925% (0.68   1.0 10.00   0.02   1.29) =   0.009%
          QD    LYS+  38 - QE    LYS+  99   8.09 +/- 4.02   5.805% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.008%
        T QD    LYS+  65 - QE    LYS+  99  15.78 +/- 4.77   0.426% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 106 - QE    LYS+ 102   8.85 +/- 1.90   0.630% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QE    LYS+ 102   9.22 +/- 1.59   0.656% *  0.1608% (0.22   1.0 10.00   0.02   1.29) =   0.004%
          QD    LYS+  38 - QE    LYS+ 102  13.09 +/- 5.20   1.040% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - QE    LYS+  38   8.92 +/- 3.56   1.230% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - QE    LYS+  99  11.88 +/- 1.71   0.300% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  20.63 +/- 3.87   0.055% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  38  16.87 +/- 4.55   0.190% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.87 +/- 2.84   0.030% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+  99  21.14 +/- 2.63   0.033% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  15.92 +/- 6.01   0.177% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  13.51 +/- 5.55   0.306% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  18.44 +/- 6.20   0.112% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  19.00 +/- 5.72   0.083% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  22.24 +/- 5.56   0.044% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  26.60 +/- 4.36   0.025% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.34 +/- 1.50   0.053% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.55 +/- 1.88   0.028% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.15 +/- 1.85   0.090% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.86 +/- 2.32   0.054% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  17.52 +/- 5.37   0.178% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  19.28 +/- 5.61   0.094% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.42 +/- 2.05   0.034% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.09 +/- 1.55   0.030% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  21.23 +/- 4.11   0.039% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.66 +/- 1.31   0.027% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.15 +/- 1.85   0.060% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  25.38 +/- 3.18   0.021% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  24.13 +/- 4.14   0.025% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  26.25 +/- 2.29   0.016% *  0.0094% (0.13   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 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 = 0.771, support = 5.74, residual support = 138.5:
    * O T HB    ILE  103 - HA    ILE  103   2.92 +/- 0.08  27.883% * 81.2535% (1.00  10.0 10.00   5.66 138.86) =  71.490%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.29 +/- 0.29  55.599% * 16.0800% (0.20  10.0 10.00   5.98 138.86) =  28.211%  kept
          HB3   LYS+  38 - HA    THR   39   4.96 +/- 0.36   6.406% *  1.3179% (0.08   1.0  1.00   3.94  30.82) =   0.266%  kept
          QB    LYS+ 106 - HA    ILE  103   7.20 +/- 0.82   2.034% *  0.2913% (0.80   1.0  1.00   0.09   0.02) =   0.019%
          HB3   ASP- 105 - HA    ILE  103   6.95 +/- 0.50   2.281% *  0.0805% (0.99   1.0  1.00   0.02   3.00) =   0.006%
        T HB    ILE  103 - HA    THR   39  15.16 +/- 3.34   0.343% *  0.2684% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HA    THR   39  11.62 +/- 3.46   2.034% *  0.0268% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    THR   39   9.40 +/- 1.01   0.879% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  17.55 +/- 4.65   0.269% *  0.0811% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  15.62 +/- 2.22   0.216% *  0.0769% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE  103  21.38 +/- 4.01   0.105% *  0.0679% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  14.57 +/- 3.37   0.313% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  20.20 +/- 5.09   0.188% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  15.18 +/- 1.27   0.232% *  0.0266% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  22.43 +/- 2.67   0.076% *  0.0729% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.93 +/- 2.42   0.051% *  0.0811% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.70 +/- 1.18   0.156% *  0.0215% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  20.31 +/- 2.04   0.094% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  18.82 +/- 4.75   0.224% *  0.0110% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.75 +/- 2.89   0.330% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  24.47 +/- 2.04   0.051% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  26.94 +/- 3.55   0.045% *  0.0268% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.71 +/- 2.18   0.053% *  0.0224% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.72 +/- 2.89   0.076% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  29.18 +/- 2.02   0.030% *  0.0241% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.95 +/- 2.06   0.030% *  0.0110% (0.14   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.85, support = 5.39, residual support = 138.0:
    * O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.18  40.752% * 65.7119% (1.00  10.0 10.00   5.59 138.86) =  73.014%  kept
        T QD1   ILE  103 - HA    ILE  103   3.08 +/- 0.56  32.698% * 29.4607% (0.45   1.0 10.00   4.87 138.86) =  26.265%  kept
          QD2   LEU   40 - HA    THR   39   5.44 +/- 0.58   5.962% *  3.8956% (0.32   1.0  1.00   3.72  24.03) =   0.633%  kept
          QD2   LEU   71 - HA    THR   39   6.96 +/- 2.70   8.992% *  0.2851% (0.19   1.0  1.00   0.46   0.14) =   0.070%
          QD2   LEU   40 - HA    ILE  103   7.17 +/- 3.02   4.733% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.008%
        T QG2   ILE  103 - HA    THR   39  12.84 +/- 2.21   0.487% *  0.2171% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  103 - HA    THR   39  12.31 +/- 2.74   0.757% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    ILE  103  11.99 +/- 3.33   1.016% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    THR   39   9.19 +/- 1.71   1.975% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  12.82 +/- 3.09   0.738% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  18.13 +/- 2.16   0.202% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.25 +/- 1.73   0.370% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.74 +/- 2.85   0.390% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.73 +/- 3.19   0.296% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.21 +/- 2.97   0.393% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  15.65 +/- 1.09   0.238% *  0.0089% (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 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.752, support = 5.04, residual support = 138.5:
    *   T QD1   ILE  103 - HA    ILE  103   3.08 +/- 0.56  32.898% * 77.2336% (0.92   1.0 10.00   4.87 138.86) =  74.593%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.18  41.002% * 20.8623% (0.25  10.0 10.00   5.59 138.86) =  25.113%  kept
          QD2   LEU   71 - HA    THR   39   6.96 +/- 2.70   9.047% *  0.5356% (0.28   1.0  1.00   0.46   0.14) =   0.142%  kept
          QD2   LEU   40 - HA    THR   39   5.44 +/- 0.58   5.999% *  0.7930% (0.05   1.0  1.00   3.72  24.03) =   0.140%  kept
        T QD1   ILE  103 - HA    THR   39  12.31 +/- 2.74   0.762% *  0.2552% (0.30   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   40 - HA    ILE  103   7.17 +/- 3.02   4.762% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  12.82 +/- 3.09   0.743% *  0.0699% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE  103 - HA    THR   39  12.84 +/- 2.21   0.490% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  15.73 +/- 3.19   0.298% *  0.0835% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  11.99 +/- 3.33   1.022% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.21 +/- 2.97   0.396% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.19 +/- 1.71   1.987% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.13 +/- 2.16   0.203% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.74 +/- 2.85   0.392% *  0.0094% (0.11   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 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   2.92 +/- 0.08  94.407% * 98.6567% (1.00  10.0 10.00   5.66 138.86) =  99.988%  kept
        T HA    THR   39 - HB    ILE  103  15.16 +/- 3.34   1.207% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP-  44 - HB    ILE  103  13.13 +/- 1.28   1.163% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  18.26 +/- 2.79   0.510% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  20.93 +/- 5.65   0.463% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  21.85 +/- 3.91   0.380% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  18.93 +/- 7.24   1.076% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.28 +/- 4.87   0.101% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.44 +/- 2.52   0.148% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.56 +/- 2.38   0.262% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  28.73 +/- 4.02   0.123% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.75 +/- 3.21   0.162% *  0.0220% (0.22   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 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 = 0.856, support = 5.05, residual support = 138.8:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  49.548% * 68.8462% (1.00  10.0 10.00   5.17 138.86) =  73.867%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.36 +/- 0.34  39.075% * 30.8659% (0.45  10.0 10.00   4.71 138.86) =  26.117%  kept
          QD2   LEU   40 - HB    ILE  103   9.22 +/- 3.17  10.372% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.015%
          QD1   LEU   67 - HB    ILE  103  13.67 +/- 3.51   0.398% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB    ILE  103  14.52 +/- 3.15   0.245% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.46 +/- 2.02   0.081% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.24 +/- 1.90   0.158% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  17.18 +/- 3.13   0.123% *  0.0191% (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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.751, support = 4.83, residual support = 138.9:
    * O T QD1   ILE  103 - HB    ILE  103   2.36 +/- 0.34  39.137% * 78.5650% (0.92  10.0 10.00   4.71 138.86) =  74.484%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  49.627% * 21.2220% (0.25  10.0 10.00   5.17 138.86) =  25.512%  kept
          QD2   LEU   40 - HB    ILE  103   9.22 +/- 3.17  10.388% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HB    ILE  103  14.52 +/- 3.15   0.246% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  17.18 +/- 3.13   0.123% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.67 +/- 3.51   0.398% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.46 +/- 2.02   0.081% *  0.0290% (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 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 138.8:
    * O T HA    ILE  103 - QG2   ILE  103   2.76 +/- 0.18  92.073% * 98.6567% (1.00  10.0 10.00   5.59 138.86) =  99.985%  kept
        T HA    THR   39 - QG2   ILE  103  12.84 +/- 2.21   1.253% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.010%
          HA    ASP-  44 - QG2   ILE  103  10.01 +/- 1.11   2.109% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QG2   ILE  103  14.83 +/- 1.85   0.730% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG2   ILE  103  17.38 +/- 3.96   0.665% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG2   ILE  103  16.00 +/- 5.26   1.402% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  18.26 +/- 2.52   0.444% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.91 +/- 2.10   0.282% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.67 +/- 2.04   0.508% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.30 +/- 3.86   0.137% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.43 +/- 2.51   0.233% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  24.14 +/- 3.13   0.164% *  0.0305% (0.31   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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.926, support = 5.17, residual support = 138.0:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.01  54.339% * 79.0870% (1.00  10.0 10.00   5.17 138.86) =  90.247%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.73 +/- 0.30  27.810% * 15.6512% (0.20  10.0 10.00   5.47 138.86) =   9.140%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.87 +/- 0.46   5.092% *  4.0227% (0.99   1.0  1.00   1.03   3.00) =   0.430%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.90 +/- 0.82  11.424% *  0.7550% (0.80   1.0  1.00   0.24   0.02) =   0.181%  kept
          HG3   PRO   68 - QG2   ILE  103  15.90 +/- 3.52   0.222% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.86 +/- 1.76   0.180% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  17.70 +/- 2.87   0.123% *  0.0661% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  17.50 +/- 1.81   0.109% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.11 +/- 2.17   0.077% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  17.03 +/- 4.01   0.168% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  14.27 +/- 2.50   0.238% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  16.20 +/- 1.86   0.135% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  19.19 +/- 1.95   0.082% *  0.0325% (0.41   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 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 = 4.87, residual support = 138.8:
    *   T HA    ILE  103 - QD1   ILE  103   3.08 +/- 0.56  84.202% * 97.5785% (0.92 10.00   4.87 138.86) =  99.929%  kept
          HA    ASP-  86 - QD1   ILE  103  14.63 +/- 5.88   3.207% *  1.1200% (0.26  1.00   0.83   0.02) =   0.044%
        T HA    THR   39 - QD1   ILE  103  12.31 +/- 2.74   1.905% *  0.7086% (0.67 10.00   0.02   0.02) =   0.016%
          HA    ASP-  44 - QD1   ILE  103   9.66 +/- 1.35   4.169% *  0.0923% (0.87  1.00   0.02   0.02) =   0.005%
          HB    THR   77 - QD1   ILE  103  13.71 +/- 2.82   2.114% *  0.0956% (0.90  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QD1   ILE  103  16.15 +/- 4.75   1.459% *  0.0956% (0.90  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QD1   ILE  103  16.66 +/- 3.60   0.925% *  0.0781% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QD1   ILE  103  16.82 +/- 2.34   0.829% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.75 +/- 2.22   0.354% *  0.0592% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  25.30 +/- 4.13   0.215% *  0.0901% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  23.22 +/- 3.27   0.278% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  20.78 +/- 2.49   0.344% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.779, support = 4.69, residual support = 138.8:
    * O T HB    ILE  103 - QD1   ILE  103   2.36 +/- 0.34  38.608% * 82.9317% (0.92  10.0 10.00   4.71 138.86) =  80.555%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  47.034% * 16.4121% (0.18  10.0 10.00   4.62 138.86) =  19.421%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.24 +/- 1.71  10.947% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.018%
          HB3   ASP- 105 - QD1   ILE  103   7.28 +/- 1.18   1.849% *  0.0822% (0.91   1.0  1.00   0.02   3.00) =   0.004%
          HG3   PRO   68 - QD1   ILE  103  15.99 +/- 3.77   0.282% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   ILE  103  13.87 +/- 2.20   0.228% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  16.38 +/- 3.72   0.171% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  16.70 +/- 2.84   0.130% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.31 +/- 4.00   0.220% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.16 +/- 2.30   0.071% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.81 +/- 2.90   0.268% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.81 +/- 1.92   0.115% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  19.39 +/- 2.41   0.078% *  0.0341% (0.38   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 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 = 216.2:
    * O T HB2   LEU  104 - HA    LEU  104   2.95 +/- 0.17  96.115% * 99.7433% (0.87  10.0 10.00   5.98 216.16) =  99.997%  kept
          QG2   VAL  108 - HA    LEU  104  11.10 +/- 0.46   1.850% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  15.32 +/- 2.74   1.034% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  19.95 +/- 1.16   0.329% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  16.82 +/- 3.02   0.671% *  0.0201% (0.17   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 216.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.51 +/- 0.16  95.490% * 99.4463% (0.76  10.0 10.00   5.31 216.16) =  99.994%  kept
          QG1   VAL   70 - HA    LEU  104  12.69 +/- 3.57   1.432% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU  104  14.29 +/- 3.56   1.237% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU  104  15.54 +/- 4.86   0.866% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.81 +/- 2.99   0.518% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  16.63 +/- 3.17   0.457% *  0.0535% (0.41   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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 216.1:
    * O T HG    LEU  104 - HA    LEU  104   3.02 +/- 0.54  82.181% * 99.5259% (1.00  10.0 10.00   5.75 216.16) =  99.989%  kept
          HB3   LYS+ 121 - HA    LEU  104  13.63 +/- 7.38   4.968% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HA    LEU  104  14.41 +/- 7.09   4.527% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LEU  104  17.92 +/- 3.85   5.414% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  17.85 +/- 3.12   0.698% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    LEU  104  19.06 +/- 4.57   0.897% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  21.03 +/- 2.26   0.320% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.70 +/- 2.43   0.492% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.70 +/- 4.15   0.502% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 216.1:
    *   T QD1   LEU  104 - HA    LEU  104   3.64 +/- 0.35  89.971% * 98.8828% (0.96 10.00   5.31 216.16) =  99.974%  kept
        T QD1   LEU   63 - HA    LEU  104  13.22 +/- 2.81   2.508% *  0.4212% (0.41 10.00   0.02   0.02) =   0.012%
        T QD1   LEU   73 - HA    LEU  104  14.85 +/- 2.60   1.981% *  0.4212% (0.41 10.00   0.02   0.02) =   0.009%
          QD2   LEU  115 - HA    LEU  104  14.46 +/- 2.01   1.886% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU  104  17.25 +/- 5.05   1.563% *  0.0889% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  19.34 +/- 4.82   1.063% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  17.58 +/- 2.98   1.028% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 5.63, residual support = 209.7:
    *   T QD2   LEU  104 - HA    LEU  104   2.51 +/- 0.54  84.689% * 77.0289% (1.00 10.00   5.76 216.16) =  96.855%  kept
        T QD1   LEU   98 - HA    LEU  104   6.09 +/- 0.78   9.501% * 22.2290% (0.31 10.00   1.87  10.15) =   3.136%  kept
        T QG1   VAL   41 - HA    LEU  104   9.45 +/- 1.95   2.540% *  0.1524% (0.20 10.00   0.02   0.02) =   0.006%
        T QG2   VAL   18 - HA    LEU  104  17.48 +/- 2.80   0.334% *  0.4361% (0.56 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    LEU  104  10.02 +/- 1.22   2.086% *  0.0263% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU  104  16.16 +/- 2.90   0.526% *  0.0743% (0.96  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  17.78 +/- 1.01   0.326% *  0.0529% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 216.2:
    * O T HA    LEU  104 - HB2   LEU  104   2.95 +/- 0.17  98.607% * 99.7454% (0.87  10.0 10.00   5.98 216.16) =  99.999%  kept
          HA    ASP-  86 - HB2   LEU  104  22.85 +/- 5.68   0.380% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  20.20 +/- 5.01   0.545% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.38 +/- 3.64   0.296% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  26.95 +/- 4.01   0.173% *  0.0647% (0.56   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 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 = 5.41, residual support = 216.2:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  97.048% * 99.4463% (0.66  10.0 10.00   5.41 216.16) =  99.996%  kept
          QD1   LEU   71 - HB2   LEU  104  12.64 +/- 3.55   1.052% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HB2   LEU  104  10.73 +/- 3.53   0.960% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  13.77 +/- 4.50   0.372% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  15.03 +/- 2.92   0.300% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  14.22 +/- 3.17   0.268% *  0.0535% (0.36   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 216.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.65 +/- 0.32  86.955% * 99.5259% (0.87  10.0 10.00   6.00 216.16) =  99.990%  kept
          HB3   LYS+ 121 - HB2   LEU  104  11.74 +/- 6.92   5.443% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HB2   LEU  104  12.55 +/- 6.52   3.478% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB2   LEU  104  16.93 +/- 4.41   0.655% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB2   LEU  104  16.67 +/- 3.27   0.456% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   LEU  104  18.91 +/- 2.20   0.406% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  16.57 +/- 3.71   1.724% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.19 +/- 2.23   0.374% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  19.31 +/- 4.08   0.509% *  0.0248% (0.22   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.41, residual support = 216.1:
    * O T QD1   LEU  104 - HB2   LEU  104   2.49 +/- 0.29  93.898% * 98.8828% (0.84  10.0 10.00   5.41 216.16) =  99.983%  kept
        T QD1   LEU   63 - HB2   LEU  104  11.26 +/- 2.85   2.138% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU   73 - HB2   LEU  104  13.41 +/- 2.70   0.995% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HB2   LEU  104  12.71 +/- 1.94   1.103% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  16.66 +/- 4.66   0.883% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  18.37 +/- 4.52   0.531% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  16.82 +/- 2.96   0.452% *  0.0255% (0.22   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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.861, support = 6.07, residual support = 214.0:
    * O T QD2   LEU  104 - HB2   LEU  104   2.80 +/- 0.40  72.532% * 93.7117% (0.87  10.0 10.00   6.10 216.16) =  98.944%  kept
          QD1   LEU   98 - HB2   LEU  104   5.82 +/- 0.99  13.027% *  5.3855% (0.27   1.0  1.00   3.72  10.15) =   1.021%  kept
        T QG1   VAL   41 - HB2   LEU  104   8.10 +/- 1.84   8.256% *  0.1855% (0.17   1.0 10.00   0.02   0.02) =   0.022%
        T QG2   VAL   18 - HB2   LEU  104  15.67 +/- 2.63   1.130% *  0.5306% (0.49   1.0 10.00   0.02   0.02) =   0.009%
          QG1   VAL   43 - HB2   LEU  104   8.84 +/- 1.26   3.547% *  0.0320% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB2   LEU  104  14.47 +/- 2.84   1.076% *  0.0904% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  16.37 +/- 1.39   0.433% *  0.0644% (0.60   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 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 216.2:
    * O T HA    LEU  104 - HB3   LEU  104   2.51 +/- 0.16  99.249% * 99.7454% (0.76  10.0 10.00   5.31 216.16) = 100.000%  kept
          HA    GLU-  14 - HB3   LEU  104  24.17 +/- 4.13   0.200% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  24.02 +/- 5.72   0.185% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  21.36 +/- 5.00   0.263% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.75 +/- 4.30   0.103% *  0.0647% (0.49   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 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.41, residual support = 216.2:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.030% * 99.7433% (0.66  10.0 10.00   5.41 216.16) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.51 +/- 0.48   0.356% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  13.98 +/- 2.67   0.319% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.04 +/- 1.69   0.085% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.47 +/- 3.03   0.210% *  0.0201% (0.13   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 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 = 5.24, residual support = 216.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.81 +/- 0.20  81.822% * 99.5259% (0.76  10.0 10.00   5.24 216.16) =  99.988%  kept
          HB3   LYS+ 121 - HB3   LEU  104  11.90 +/- 7.15   5.587% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HB3   LEU  104  12.70 +/- 6.83   5.220% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HB3   LEU  104  17.54 +/- 4.06   4.928% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB3   LEU  104  17.19 +/- 3.48   0.587% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  17.69 +/- 4.57   0.751% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB3   LEU  104  20.34 +/- 2.23   0.259% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.11 +/- 2.51   0.413% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  20.43 +/- 4.10   0.434% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 216.1:
    * O T QD1   LEU  104 - HB3   LEU  104   2.31 +/- 0.28  96.652% * 98.8828% (0.74  10.0 10.00   5.00 216.16) =  99.991%  kept
        T QD1   LEU   63 - HB3   LEU  104  12.19 +/- 2.80   0.885% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   73 - HB3   LEU  104  14.60 +/- 2.61   0.802% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB3   LEU  104  13.35 +/- 2.10   0.708% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU  104  17.77 +/- 4.68   0.389% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  19.56 +/- 4.53   0.283% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  17.90 +/- 2.84   0.281% *  0.0255% (0.19   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.33, residual support = 215.7:
    * O T QD2   LEU  104 - HB3   LEU  104   2.76 +/- 0.42  83.287% * 96.8564% (0.76  10.0 10.00   5.34 216.16) =  99.755%  kept
          QD1   LEU   98 - HB3   LEU  104   6.79 +/- 0.98   8.334% *  2.2106% (0.24   1.0  1.00   1.48  10.15) =   0.228%  kept
        T QG1   VAL   41 - HB3   LEU  104   9.06 +/- 1.83   4.071% *  0.1917% (0.15   1.0 10.00   0.02   0.02) =   0.010%
        T QG2   VAL   18 - HB3   LEU  104  16.52 +/- 2.94   0.846% *  0.5484% (0.43   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   19 - HB3   LEU  104  15.33 +/- 3.15   0.834% *  0.0935% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   LEU  104  10.11 +/- 1.27   2.225% *  0.0330% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  17.53 +/- 1.37   0.403% *  0.0665% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 216.2:
    * O T HA    LEU  104 - HG    LEU  104   3.02 +/- 0.54  98.255% * 99.7454% (1.00  10.0 10.00   5.75 216.16) =  99.999%  kept
          HA    ASP-  86 - HG    LEU  104  23.55 +/- 6.09   0.498% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.53 +/- 4.15   0.400% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  21.12 +/- 5.27   0.595% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.98 +/- 4.67   0.253% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 216.2:
    * O T HB2   LEU  104 - HG    LEU  104   2.65 +/- 0.32  96.542% * 99.7433% (0.87  10.0 10.00   6.00 216.16) =  99.997%  kept
          QG2   VAL  108 - HG    LEU  104  12.17 +/- 0.71   1.107% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HG    LEU  104  14.80 +/- 3.00   1.478% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HG    LEU  104  20.16 +/- 1.61   0.233% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  15.70 +/- 3.06   0.640% *  0.0201% (0.18   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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 216.1:
    * O T HB3   LEU  104 - HG    LEU  104   2.81 +/- 0.20  88.324% * 99.4463% (0.76  10.0 10.00   5.24 216.16) =  99.984%  kept
          QD1   LEU   71 - HG    LEU  104  12.66 +/- 3.83   5.470% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   70 - HG    LEU  104  11.11 +/- 3.74   3.061% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HG    LEU  104  14.71 +/- 4.92   1.197% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  15.63 +/- 3.04   1.118% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  15.35 +/- 3.26   0.830% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 5.24, residual support = 216.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  97.373% * 98.8828% (0.97  10.0 10.00   5.24 216.16) =  99.993%  kept
        T QD1   LEU   63 - HG    LEU  104  12.34 +/- 2.84   0.727% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HG    LEU  104  13.84 +/- 2.65   0.590% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG    LEU  104  17.15 +/- 4.94   0.409% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.18 +/- 2.21   0.438% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  18.80 +/- 4.65   0.256% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  17.84 +/- 3.19   0.206% *  0.0255% (0.25   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 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 215.6:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  84.996% * 94.7998% (1.00  10.0 10.00   5.76 216.16) =  99.726%  kept
          QD1   LEU   98 - HG    LEU  104   5.85 +/- 0.71   4.747% *  4.2869% (0.31   1.0  1.00   2.93  10.15) =   0.252%  kept
        T QG1   VAL   41 - HG    LEU  104   8.04 +/- 2.18   8.032% *  0.1876% (0.20   1.0 10.00   0.02   0.02) =   0.019%
        T QG2   VAL   18 - HG    LEU  104  16.30 +/- 2.89   0.360% *  0.5367% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HG    LEU  104  14.70 +/- 3.31   0.471% *  0.0915% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU  104   9.54 +/- 1.66   1.237% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.48 +/- 1.33   0.158% *  0.0651% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 216.1:
    *   T HA    LEU  104 - QD1   LEU  104   3.64 +/- 0.35  75.423% * 99.2875% (0.96 10.00   5.31 216.16) =  99.985%  kept
        T HA    LEU  104 - QD1   LEU   63  13.22 +/- 2.81   2.110% *  0.1829% (0.18 10.00   0.02   0.02) =   0.005%
        T HA    LEU  104 - QD1   LEU   73  14.85 +/- 2.60   1.653% *  0.1829% (0.18 10.00   0.02   0.02) =   0.004%
          HA    GLU-  14 - QD1   LEU   63  15.07 +/- 3.09   6.765% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU  104  18.99 +/- 3.85   1.048% *  0.0760% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  20.71 +/- 4.78   0.681% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU  104  18.69 +/- 4.13   0.941% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU  104  21.96 +/- 4.03   0.546% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  13.51 +/- 2.67   2.033% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  15.51 +/- 3.63   2.058% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  18.63 +/- 3.87   1.783% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  16.42 +/- 3.70   1.351% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  15.42 +/- 3.71   1.533% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  18.84 +/- 3.63   0.860% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  16.75 +/- 3.50   1.216% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.789, support = 5.39, residual support = 216.3:
    * O T HB2   LEU  104 - QD1   LEU  104   2.49 +/- 0.29  34.795% * 90.8778% (0.84  10.0 10.00   5.41 216.16) =  94.022%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  53.758% *  3.3793% (0.03  10.0 10.00   5.58 242.58) =   5.402%  kept
        T QD1   ILE  119 - QD1   LEU   63   5.72 +/- 1.41   4.315% *  4.2747% (0.10   1.0 10.00   0.78   0.02) =   0.548%  kept
        T QD1   ILE  119 - QD1   LEU  104  11.81 +/- 2.63   0.814% *  0.5931% (0.55   1.0 10.00   0.02   0.02) =   0.014%
        T QD1   ILE  119 - QD1   LEU   73  12.22 +/- 2.89   1.027% *  0.1092% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QD1   LEU   63  11.26 +/- 2.85   0.585% *  0.1674% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   63 - QD1   LEU  104  12.70 +/- 2.53   0.343% *  0.1835% (0.17   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  104 - QD1   LEU   73  13.41 +/- 2.70   0.343% *  0.1674% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104  10.85 +/- 0.54   0.394% *  0.1011% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  11.02 +/- 1.99   1.026% *  0.0338% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QD1   LEU   63  10.15 +/- 1.87   0.651% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.33 +/- 2.60   0.999% *  0.0102% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.41 +/- 2.94   0.508% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.73 +/- 1.58   0.117% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  16.34 +/- 4.62   0.325% *  0.0102% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.681, support = 5.06, residual support = 217.7:
    * O T HB3   LEU  104 - QD1   LEU  104   2.31 +/- 0.28  35.192% * 85.5076% (0.74  10.0 10.00   5.00 216.16) =  91.539%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.44 +/- 0.38  31.731% *  8.4719% (0.07  10.0 10.00   5.84 242.58) =   8.177%  kept
          QG1   VAL   18 - QD1   LEU   73   7.06 +/- 3.81   2.634% *  1.3427% (0.16   1.0  1.00   1.45   0.23) =   0.108%  kept
          QD1   LEU   71 - QD1   LEU   63   9.04 +/- 2.01   8.296% *  0.3163% (0.18   1.0  1.00   0.31   0.02) =   0.080%
        T HB3   LEU   63 - QD1   LEU   73  10.47 +/- 1.50   0.601% *  3.0368% (0.07   1.0 10.00   0.72   0.02) =   0.056%
          QD1   LEU   71 - QD1   LEU  104  10.12 +/- 3.43   5.179% *  0.1109% (0.96   1.0  1.00   0.02   0.02) =   0.017%
          QG1   VAL   70 - QD1   LEU  104   8.78 +/- 3.29   1.519% *  0.1080% (0.93   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU   63 - QD1   LEU  104  12.48 +/- 2.74   0.284% *  0.4600% (0.40   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QD1   LEU   63   5.30 +/- 1.43   5.371% *  0.0199% (0.17   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD1   LEU  104  11.36 +/- 4.22   0.657% *  0.1109% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU   63   7.49 +/- 2.63   3.809% *  0.0185% (0.16   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   63  12.19 +/- 2.80   0.320% *  0.1575% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU  104  12.73 +/- 2.58   0.493% *  0.1003% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   73  14.60 +/- 2.61   0.284% *  0.1575% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   8.49 +/- 2.07   1.491% *  0.0204% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   8.26 +/- 1.09   1.033% *  0.0204% (0.18   1.0  1.00   0.02   1.05) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.98 +/- 0.87   0.661% *  0.0199% (0.17   1.0  1.00   0.02   0.71) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.67 +/- 2.55   0.446% *  0.0204% (0.18   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 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 216.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  55.254% * 98.9901% (0.97  10.0 10.00   5.24 216.16) =  99.982%  kept
          HB3   LYS+ 121 - QD1   LEU  104  10.02 +/- 5.99   2.327% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QD1   LEU  104  13.85 +/- 3.75  10.334% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QD1   LEU   63   7.92 +/- 2.60   4.697% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  12.34 +/- 2.84   0.404% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  104  10.77 +/- 5.65   2.243% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QD1   LEU   73  13.84 +/- 2.65   0.335% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   73   5.76 +/- 2.56   9.859% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU  104  14.23 +/- 3.91   0.396% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   9.22 +/- 2.84   1.426% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  13.04 +/- 2.78   1.960% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.52 +/- 1.10   1.777% *  0.0125% (0.12   1.0  1.00   0.02   7.48) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.50 +/- 3.05   0.197% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.42 +/- 0.79   0.976% *  0.0176% (0.17   1.0  1.00   0.02  42.01) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.63 +/- 2.27   0.159% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   9.25 +/- 3.64   1.718% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.80 +/- 2.40   0.264% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.07 +/- 3.26   0.529% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  11.80 +/- 2.62   0.532% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   9.61 +/- 2.85   1.339% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.40 +/- 3.76   0.263% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  16.95 +/- 3.88   0.310% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.39 +/- 0.94   0.996% *  0.0045% (0.04   1.0  1.00   0.02   3.17) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.75 +/- 2.22   0.509% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.36 +/- 3.59   0.387% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.24 +/- 2.12   0.286% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.02 +/- 2.16   0.525% *  0.0036% (0.04   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 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 = 215.1:
    * O T QD2   LEU  104 - QD1   LEU  104   2.06 +/- 0.06  47.602% * 92.6387% (0.97  10.0 10.00   5.46 216.16) =  99.482%  kept
          QD1   LEU   98 - QD1   LEU  104   5.83 +/- 0.75   3.134% *  5.4852% (0.30   1.0  1.00   3.84  10.15) =   0.388%  kept
          QG1   VAL   43 - QD1   LEU   73   5.75 +/- 2.84  10.283% *  0.3090% (0.06   1.0  1.00   1.06   6.06) =   0.072%
        T QG1   VAL   41 - QD1   LEU  104   6.73 +/- 1.79   7.870% *  0.1833% (0.19   1.0 10.00   0.02   0.02) =   0.033%
        T QG2   VAL   18 - QD1   LEU  104  13.22 +/- 2.69   0.465% *  0.5245% (0.55   1.0 10.00   0.02   0.02) =   0.006%
        T QG2   VAL   18 - QD1   LEU   73   7.94 +/- 2.99   1.613% *  0.0966% (0.10   1.0 10.00   0.02   0.23) =   0.004%
        T QG2   VAL   18 - QD1   LEU   63   7.97 +/- 2.00   1.418% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QD1   LEU   73   8.52 +/- 2.05   9.067% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU   73   6.44 +/- 2.66   5.885% *  0.0165% (0.17   1.0  1.00   0.02   4.64) =   0.002%
        T QD2   LEU  104 - QD1   LEU   63  10.66 +/- 2.50   0.511% *  0.1706% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   41 - QD1   LEU   73   7.06 +/- 1.99   1.934% *  0.0338% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QD1   LEU   73  11.69 +/- 1.81   0.344% *  0.1706% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU  104  11.91 +/- 3.08   0.622% *  0.0894% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU  104   8.52 +/- 1.29   1.061% *  0.0316% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   63   8.15 +/- 2.54   2.653% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   8.47 +/- 1.50   0.914% *  0.0338% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU   63   9.44 +/- 1.71   0.746% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.36 +/- 1.84   1.806% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.84 +/- 1.29   0.134% *  0.0636% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   8.99 +/- 2.21   1.067% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.88 +/- 2.76   0.872% *  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 = 5.76, residual support = 216.2:
    *   T HA    LEU  104 - QD2   LEU  104   2.51 +/- 0.54  88.984% * 99.4871% (1.00 10.00   5.76 216.16) =  99.996%  kept
        T HA    LEU  104 - QG1   VAL   41   9.45 +/- 1.95   2.703% *  0.0534% (0.05 10.00   0.02   0.02) =   0.002%
        T HA    LEU  104 - QG2   VAL   18  17.48 +/- 2.80   0.352% *  0.1529% (0.15 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  19.83 +/- 5.59   0.426% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.28 +/- 1.23   2.432% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  17.88 +/- 4.82   0.604% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.43 +/- 3.33   0.321% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  22.26 +/- 3.57   0.189% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  13.07 +/- 1.95   1.048% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  13.79 +/- 2.34   0.869% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  21.86 +/- 5.73   0.219% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  18.69 +/- 4.54   0.535% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  20.68 +/- 5.31   0.261% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.40 +/- 2.92   0.471% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  17.38 +/- 3.87   0.587% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.1, residual support = 216.1:
    * O T HB2   LEU  104 - QD2   LEU  104   2.80 +/- 0.40  69.846% * 99.4846% (0.87  10.0 10.00   6.10 216.16) =  99.985%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.10 +/- 1.84   7.959% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU  104 - QG2   VAL   18  15.67 +/- 2.63   1.111% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD2   LEU  104  10.45 +/- 0.66   1.522% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QD2   LEU  104  12.78 +/- 2.49   1.730% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QG2   VAL   18  10.28 +/- 2.54   5.804% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU  104  17.34 +/- 1.07   0.354% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  13.54 +/- 2.68   0.764% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  15.24 +/- 2.40   0.574% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   9.50 +/- 2.63   3.015% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  16.16 +/- 3.82   0.904% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.11 +/- 0.89   1.100% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  11.95 +/- 1.79   1.811% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  10.81 +/- 1.82   3.036% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  17.34 +/- 2.83   0.470% *  0.0032% (0.03   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 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.596, support = 4.98, residual support = 178.6:
    * O T HB3   LEU  104 - QD2   LEU  104   2.76 +/- 0.42  24.563% * 83.2954% (0.76  10.0 10.00   5.34 216.16) =  73.100%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  50.032% * 15.0201% (0.14  10.0 10.00   4.00  76.66) =  26.850%  kept
          QD1   LEU   71 - QG1   VAL   41   6.09 +/- 2.08   9.935% *  0.0456% (0.05   1.0  1.00   0.16   0.81) =   0.016%
        T QG1   VAL   18 - QD2   LEU  104  13.00 +/- 2.18   0.289% *  0.9775% (0.90   1.0 10.00   0.02   0.02) =   0.010%
          QD1   LEU   71 - QD2   LEU  104  10.58 +/- 3.26   2.305% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - QD2   LEU  104   9.44 +/- 3.28   1.381% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T QG1   VAL   18 - QG1   VAL   41   8.84 +/- 2.33   0.989% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG1   VAL   41   9.06 +/- 1.83   1.106% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU  104  12.61 +/- 4.23   0.406% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG2   VAL   18  16.52 +/- 2.94   0.239% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   8.63 +/- 3.47   1.685% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG2   VAL   18   8.20 +/- 2.66   1.343% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.52 +/- 1.34   2.445% *  0.0056% (0.05   1.0  1.00   0.02   2.61) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.19 +/- 2.87   0.264% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   8.82 +/- 3.26   1.408% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.75 +/- 2.89   0.476% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.52 +/- 2.71   0.438% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41   9.93 +/- 1.81   0.696% *  0.0024% (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 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 216.1:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  41.294% * 98.9170% (1.00  10.0 10.00   5.76 216.16) =  99.961%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.50 +/- 5.52  10.868% *  0.0532% (0.04   1.0  1.00   0.28   0.02) =   0.014%
        T HG    LEU  104 - QG1   VAL   41   8.04 +/- 2.18   3.593% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  66 - QG2   VAL   18   9.92 +/- 3.87   0.858% *  0.2033% (0.11   1.0  1.00   0.39   0.02) =   0.004%
          HD3   LYS+  74 - QG2   VAL   18   7.58 +/- 6.20   8.105% *  0.0147% (0.15   1.0  1.00   0.02   1.31) =   0.003%
          QG2   THR   26 - QD2   LEU  104  13.76 +/- 3.17   5.765% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 121 - QD2   LEU  104  11.36 +/- 6.07   0.912% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  66 - QG1   VAL   41  12.42 +/- 3.14   1.502% *  0.0510% (0.04   1.0  1.00   0.28   0.02) =   0.002%
          HG2   LYS+  65 - QG1   VAL   41  12.59 +/- 4.32   9.040% *  0.0059% (0.01   1.0  1.00   0.09   0.02) =   0.001%
          HD3   LYS+  74 - QG1   VAL   41  12.14 +/- 2.84   8.477% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  104  12.13 +/- 5.82   1.103% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  16.30 +/- 2.89   0.187% *  0.1520% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QG1   VAL   41   8.75 +/- 2.10   1.665% *  0.0159% (0.01   1.0  1.00   0.30   0.02) =   0.001%
          QD    LYS+  66 - QD2   LEU  104  15.10 +/- 4.05   0.264% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.90 +/- 2.59   0.126% *  0.0970% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.90 +/- 2.33   0.108% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  13.78 +/- 1.85   0.175% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.58 +/- 1.78   2.047% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  10.90 +/- 1.96   0.749% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.13 +/- 3.93   0.166% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.47 +/- 1.90   1.508% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.23 +/- 2.59   0.196% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.51 +/- 3.93   0.430% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  17.90 +/- 2.74   0.083% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.40 +/- 2.81   0.201% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  12.97 +/- 4.16   0.460% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  17.30 +/- 2.88   0.119% *  0.0052% (0.05   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.46, residual support = 216.1:
    * O T QD1   LEU  104 - QD2   LEU  104   2.06 +/- 0.06  71.140% * 98.4528% (0.97  10.0 10.00   5.46 216.16) =  99.974%  kept
        T QD1   LEU  104 - QG1   VAL   41   6.73 +/- 1.79  11.537% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   63 - QD2   LEU  104  10.66 +/- 2.50   0.757% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - QD2   LEU  104  11.69 +/- 1.81   0.531% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - QG2   VAL   18   7.94 +/- 2.99   2.410% *  0.0644% (0.06   1.0 10.00   0.02   0.23) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   7.97 +/- 2.00   2.069% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - QG2   VAL   18  13.22 +/- 2.69   0.729% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QG1   VAL   41   7.06 +/- 1.99   2.921% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU  104  14.53 +/- 4.52   0.545% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  12.26 +/- 1.72   0.397% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   8.47 +/- 1.50   1.349% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.91 +/- 4.28   0.314% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.67 +/- 2.41   0.958% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  13.19 +/- 5.79   0.598% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  15.22 +/- 2.77   0.237% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  14.57 +/- 5.33   0.362% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  12.46 +/- 3.97   0.929% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  12.53 +/- 4.19   0.875% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  11.74 +/- 2.22   0.627% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  14.52 +/- 4.76   0.381% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  13.87 +/- 3.02   0.335% *  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 = 41.9:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.73 +/- 0.19  93.530% * 99.5527% (0.95  10.0 10.00   3.16  41.89) =  99.996%  kept
          HB2   MET   96 - HA    ASP- 105   9.09 +/- 0.70   2.861% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    ASP- 105  13.64 +/- 1.65   0.951% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP- 105  18.14 +/- 1.41   0.361% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  21.94 +/- 1.90   0.216% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  14.67 +/- 3.68   1.019% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  16.18 +/- 2.63   0.612% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.25 +/- 3.38   0.186% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  21.21 +/- 2.95   0.263% *  0.0184% (0.18   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 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.16, residual support = 41.9:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.73 +/- 0.19  92.029% * 99.7814% (0.95  10.0 10.00   3.16  41.89) =  99.995%  kept
          HB    THR   23 - HB2   ASP- 105  23.81 +/- 5.45   2.420% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   23 - HB2   ASP- 105  22.53 +/- 5.38   5.174% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   80 - HB2   ASP- 105  23.69 +/- 3.68   0.201% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  22.77 +/- 1.62   0.176% *  0.0154% (0.15   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 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 = 6.26, residual support = 132.9:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.35 +/- 0.16  84.512% * 81.9537% (1.00  10.0 10.00   6.30 135.65) =  97.582%  kept
          HB3   ASP- 105 - HA    LYS+ 106   5.04 +/- 0.34   9.829% * 17.4285% (0.87   1.0  1.00   4.90  23.02) =   2.414%  kept
          HB    ILE  103 - HA    LYS+ 106   7.34 +/- 0.68   3.019% *  0.0656% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HA    LYS+ 106  14.92 +/- 2.46   0.422% *  0.0626% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.25 +/- 3.12   0.298% *  0.0626% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  18.17 +/- 1.52   0.205% *  0.0803% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  19.93 +/- 2.47   0.173% *  0.0818% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  19.10 +/- 1.32   0.168% *  0.0775% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.20 +/- 1.02   0.525% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.77 +/- 2.47   0.168% *  0.0685% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.28 +/- 1.47   0.173% *  0.0497% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.51 +/- 2.36   0.253% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  18.27 +/- 2.59   0.253% *  0.0126% (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 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 135.6:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.31 +/- 0.57  93.278% * 98.2431% (1.00  10.0 10.00   5.08 135.65) =  99.989%  kept
        T QG    LYS+  81 - HA    LYS+ 106  19.83 +/- 2.53   0.553% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  33 - HA    LYS+ 106  20.28 +/- 1.51   0.503% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HA    LYS+ 106  11.54 +/- 2.51   4.810% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  16.82 +/- 1.72   0.856% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 135.6:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.68 +/- 0.39  75.895% * 98.5750% (1.00 10.00   4.80 135.65) =  99.946%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.37 +/- 0.89   2.990% *  0.9836% (1.00 10.00   0.02   0.02) =   0.039%
          HD2   LYS+ 111 - HA    LYS+ 106  13.03 +/- 2.60   3.913% *  0.0716% (0.73  1.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HA    LYS+ 106  12.59 +/- 1.12   2.213% *  0.0823% (0.84  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 106  15.58 +/- 3.17   1.828% *  0.0932% (0.95  1.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106  12.23 +/- 2.20   3.103% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.05 +/- 0.69   3.044% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+ 106  11.02 +/- 1.65   4.007% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 106  13.20 +/- 1.02   1.909% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  17.95 +/- 4.12   1.100% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.49 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 = 0.972, support = 5.05, residual support = 123.1:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.55 +/- 0.39  50.382% * 88.4931% (1.00 10.00   5.22 135.65) =  89.922%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.86 +/- 0.81  43.989% * 11.3504% (0.73  1.00   3.53  10.66) =  10.070%  kept
          HB3   PHE   60 - HA    LYS+ 106  13.91 +/- 2.72   3.015% *  0.0837% (0.95  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+ 106  16.72 +/- 2.82   2.006% *  0.0608% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    LYS+ 106  20.61 +/- 2.30   0.608% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.3, residual support = 135.6:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.35 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   6.30 135.65) = 100.000%  kept
    Distance limit 3.51 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 = 5.36, residual support = 135.6:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.30 +/- 0.12  97.691% * 98.2431% (1.00  10.0 10.00   5.36 135.65) =  99.996%  kept
        T QG    LYS+  81 - QB    LYS+ 106  17.77 +/- 2.40   0.256% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QB    LYS+ 106  19.68 +/- 1.47   0.170% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QB    LYS+ 106  10.79 +/- 2.35   1.582% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  16.46 +/- 1.50   0.301% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 135.6:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.22 +/- 0.14  92.412% * 97.1433% (1.00  10.0 10.00   5.07 135.65) =  99.972%  kept
        T HD2   LYS+ 111 - QB    LYS+ 106  11.85 +/- 2.55   1.480% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  99 - QB    LYS+ 106  11.35 +/- 1.11   0.833% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QG1   ILE   56 - QB    LYS+ 106  12.10 +/- 2.10   0.730% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  123 - QB    LYS+ 106  17.79 +/- 3.56   0.250% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QB    LYS+ 106  11.02 +/- 1.27   0.868% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  15.37 +/- 2.90   0.467% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.74 +/- 1.72   1.535% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  11.09 +/- 0.84   0.818% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.27 +/- 1.16   0.608% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.973, support = 5.15, residual support = 123.5:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.04 +/- 0.56  84.423% * 57.8731% (1.00 10.00   5.49 135.65) =  90.261%  kept
        T HB2   PHE   97 - QB    LYS+ 106   6.18 +/- 0.72  12.542% * 42.0245% (0.73 10.00   2.01  10.66) =   9.737%  kept
          HB3   PHE   60 - QB    LYS+ 106  14.03 +/- 2.52   1.449% *  0.0547% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QB    LYS+ 106  16.22 +/- 2.47   1.125% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  19.64 +/- 2.26   0.460% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 5.08, residual support = 135.6:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.31 +/- 0.57  98.879% * 99.1803% (1.00  10.0 10.00   5.08 135.65) =  99.995%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.28 +/- 1.51   0.534% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 106 - QG    LYS+  81  19.83 +/- 2.53   0.587% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.39 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 = 0.746, support = 5.47, residual support = 137.2:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.30 +/- 0.12  27.072% * 48.9731% (1.00  10.0 10.00   5.36 135.65) =  52.768%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  28.122% * 28.0960% (0.57  10.0 10.00   5.64 154.24) =  31.448%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  35.612% * 10.7515% (0.22  10.0 10.00   5.49 111.57) =  15.239%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.52 +/- 0.72   1.359% *  9.8889% (0.87   1.0  1.00   4.66  23.02) =   0.535%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.01 +/- 1.59   2.264% *  0.0392% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   GLN   30 - HG2   LYS+  33   5.31 +/- 0.94   2.803% *  0.0122% (0.25   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+  81 - HG2   LYS+ 106  20.36 +/- 3.54   0.052% *  0.4886% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  19.97 +/- 1.88   0.045% *  0.4633% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.68 +/- 1.47   0.045% *  0.2970% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  23.12 +/- 4.98   0.040% *  0.2964% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  17.77 +/- 2.40   0.068% *  0.1078% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81  10.51 +/- 3.01   0.654% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.53 +/- 4.63   0.052% *  0.1019% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.21 +/- 1.40   0.280% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  18.52 +/- 2.43   0.063% *  0.0480% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.43 +/- 2.28   0.073% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.86 +/- 3.13   0.104% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.36 +/- 3.76   0.059% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.28 +/- 1.73   0.126% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.05 +/- 2.91   0.040% *  0.0409% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.57 +/- 2.73   0.064% *  0.0238% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.06 +/- 2.10   0.046% *  0.0297% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.67 +/- 2.79   0.065% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.63 +/- 2.14   0.049% *  0.0258% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  20.32 +/- 4.04   0.099% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.62 +/- 3.93   0.076% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.83 +/- 3.71   0.029% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.98 +/- 2.97   0.211% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.58 +/- 3.81   0.021% *  0.0248% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  28.93 +/- 4.28   0.016% *  0.0291% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  21.19 +/- 4.11   0.048% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.08 +/- 5.03   0.089% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.98 +/- 2.69   0.043% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.35 +/- 2.40   0.028% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.20 +/- 3.24   0.032% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.07 +/- 4.25   0.056% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.97 +/- 2.52   0.018% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.76 +/- 3.24   0.021% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.51 +/- 3.78   0.058% *  0.0017% (0.03   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 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 = 135.6:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.41 +/- 0.11  85.718% * 96.6493% (1.00  10.0 10.00   4.16 135.65) =  99.976%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.89 +/- 1.44   0.888% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  99 - HG2   LYS+  33  13.15 +/- 2.60   0.859% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 106 - HG2   LYS+  33  19.42 +/- 2.01   0.190% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+  33  12.07 +/- 3.73   1.737% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.61 +/- 2.97   1.079% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QG    LYS+  81  17.58 +/- 3.50   0.354% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 106   9.76 +/- 2.13   2.019% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 106  13.90 +/- 1.64   0.520% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+ 106  17.28 +/- 3.17   0.425% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.36 +/- 1.38   0.984% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  23.15 +/- 2.83   0.114% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  14.57 +/- 2.00   0.482% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.21 +/- 1.30   0.371% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  14.50 +/- 2.84   0.683% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  22.82 +/- 5.26   0.404% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.79 +/- 2.19   0.448% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  20.30 +/- 4.49   0.226% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.66 +/- 2.23   0.390% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.79 +/- 2.84   0.179% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.90 +/- 3.38   0.348% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.45 +/- 2.67   0.467% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.73 +/- 3.33   0.348% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.53 +/- 2.22   0.071% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  28.64 +/- 3.14   0.058% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.59 +/- 4.00   0.145% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.30 +/- 2.32   0.085% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.48 +/- 4.32   0.133% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  21.55 +/- 4.27   0.176% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  24.50 +/- 3.44   0.101% *  0.0080% (0.08   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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.999, support = 4.55, residual support = 135.1:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.38 +/- 0.33  85.589% * 93.6012% (1.00  10.0 10.00   4.56 135.65) =  99.559%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.47 +/- 1.39   6.664% *  5.2667% (0.73   1.0  1.00   1.55  10.66) =   0.436%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  19.82 +/- 2.48   0.232% *  0.5677% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HG2   LYS+  33   9.35 +/- 1.10   1.671% *  0.0390% (0.42   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 106 - QG    LYS+  81  18.39 +/- 3.89   0.286% *  0.2059% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  16.54 +/- 2.43   0.332% *  0.0885% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.27 +/- 0.73   2.648% *  0.0077% (0.08   1.0  1.00   0.02   5.20) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.91 +/- 2.93   0.313% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  15.95 +/- 5.65   1.018% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.12 +/- 1.65   0.322% *  0.0412% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.72 +/- 2.52   0.184% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.69 +/- 2.57   0.295% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.05 +/- 2.80   0.184% *  0.0127% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  21.50 +/- 2.57   0.150% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.85 +/- 5.17   0.115% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.6:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.68 +/- 0.39  96.206% * 99.1942% (0.99 10.00   4.80 135.65) =  99.968%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.37 +/- 0.89   3.794% *  0.8058% (0.81 10.00   0.02   0.02) =   0.032%
    Distance limit 5.10 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 = 0.99, support = 5.06, residual support = 134.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.22 +/- 0.14  67.264% * 82.9311% (0.99  10.0 10.00   5.07 135.65) =  99.220%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.79 +/- 0.78   2.953% * 14.1700% (0.86   1.0  1.00   3.94  23.02) =   0.744%  kept
          HB    ILE  103 - QD    LYS+ 106   5.84 +/- 1.36   7.640% *  0.0664% (0.79   1.0  1.00   0.02   0.02) =   0.009%
        T QB    LYS+ 106 - QD    LYS+  99  11.35 +/- 1.11   0.608% *  0.6737% (0.81   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLN   30 - QD    LYS+  99  13.54 +/- 3.39   8.211% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - QD    LYS+  99  13.40 +/- 5.98   3.140% *  0.0515% (0.62   1.0  1.00   0.02   0.02) =   0.003%
        T HB    ILE   56 - QD    LYS+ 106  15.51 +/- 2.58   0.243% *  0.6338% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  38 - QD    LYS+  99   9.18 +/- 4.19   3.480% *  0.0409% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - QD    LYS+  99  12.16 +/- 2.57   1.583% *  0.0637% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD    LYS+  99   8.61 +/- 0.77   1.259% *  0.0584% (0.70   1.0  1.00   0.02   0.57) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.50 +/- 1.02   1.122% *  0.0539% (0.64   1.0  1.00   0.02   0.50) =   0.001%
        T HB    ILE   56 - QD    LYS+  99  20.15 +/- 2.48   0.107% *  0.5148% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  15.62 +/- 2.02   0.237% *  0.0813% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  17.64 +/- 3.38   0.201% *  0.0827% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.49 +/- 3.71   0.245% *  0.0634% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.06 +/- 1.75   0.553% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.11 +/- 1.76   0.138% *  0.0784% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.49 +/- 2.76   0.144% *  0.0693% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.41 +/- 1.95   0.134% *  0.0503% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.86 +/- 2.50   0.186% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  23.09 +/- 2.98   0.074% *  0.0672% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  25.54 +/- 1.99   0.048% *  0.0660% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.87 +/- 2.68   0.053% *  0.0563% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.88 +/- 2.72   0.176% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.29 +/- 3.43   0.130% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.08 +/- 1.05   0.071% *  0.0187% (0.22   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 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.16, residual support = 135.6:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.41 +/- 0.11  94.712% * 96.1045% (0.99  10.0 10.00   4.16 135.65) =  99.978%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.89 +/- 1.44   0.981% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  33 - QD    LYS+  99  13.15 +/- 2.60   0.949% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.006%
        T QG    LYS+  81 - QD    LYS+ 106  17.58 +/- 3.50   0.391% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QD    LYS+ 106  19.42 +/- 2.01   0.210% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QD    LYS+  99  23.15 +/- 2.83   0.126% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+ 106  11.93 +/- 2.80   1.353% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.23 +/- 2.83   0.623% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.84 +/- 2.47   0.434% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.34 +/- 2.81   0.220% *  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 = 135.4:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  87.439% * 94.6920% (0.99  10.0 10.00   3.37 135.65) =  99.815%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.73 +/- 0.82   2.989% *  4.1794% (0.72   1.0  1.00   1.22  10.66) =   0.151%  kept
        T QE    LYS+ 106 - QD    LYS+  99  11.29 +/- 2.12   3.255% *  0.7692% (0.81   1.0 10.00   0.02   0.02) =   0.030%
          HB2   PHE   97 - QD    LYS+  99   7.38 +/- 0.94   2.355% *  0.0559% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    LYS+  99  15.30 +/- 3.47   2.220% *  0.0528% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+ 106  14.81 +/- 2.58   0.351% *  0.0896% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.05 +/- 2.71   0.257% *  0.0650% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.43 +/- 2.90   0.208% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.78 +/- 2.29   0.792% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  19.10 +/- 2.55   0.134% *  0.0128% (0.13   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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.22, residual support = 135.6:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.55 +/- 0.39 100.000% *100.0000% (1.00 10.00   5.22 135.65) = 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 = 0.982, support = 5.24, residual support = 120.5:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.04 +/- 0.56  64.282% * 53.3343% (1.00 10.00   5.49 135.65) =  86.533%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.88 +/- 1.04  11.512% * 46.2637% (0.87 10.00   3.66  23.02) =  13.442%  kept
          HB    ILE  103 - QE    LYS+ 106   5.39 +/- 1.23  19.106% *  0.0427% (0.80  1.00   0.02   0.02) =   0.021%
          HB3   GLN   90 - QE    LYS+ 106  16.55 +/- 2.83   0.569% *  0.0523% (0.98  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+ 106  18.40 +/- 3.85   0.448% *  0.0532% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  16.75 +/- 2.29   0.543% *  0.0408% (0.76  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  18.43 +/- 2.27   0.427% *  0.0505% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QE    LYS+ 106  13.13 +/- 2.23   1.081% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.66 +/- 2.51   0.343% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  19.29 +/- 3.58   0.371% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.71 +/- 2.32   0.422% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.43 +/- 3.00   0.593% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  20.04 +/- 2.54   0.302% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 135.6:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.38 +/- 0.33  98.121% * 98.2431% (1.00  10.0 10.00   4.56 135.65) =  99.994%  kept
        T QG    LYS+  81 - QE    LYS+ 106  18.39 +/- 3.89   0.328% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QE    LYS+ 106  19.82 +/- 2.48   0.266% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QE    LYS+ 106  12.82 +/- 2.47   0.969% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.94 +/- 2.35   0.315% *  0.0172% (0.18   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 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.37, residual support = 135.6:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  89.290% * 98.5861% (0.99  10.0 10.00   3.37 135.65) =  99.959%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.29 +/- 2.12   3.304% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.037%
          HB3   LYS+  99 - QE    LYS+ 106  10.85 +/- 1.86   2.436% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QE    LYS+ 106   8.45 +/- 1.84   2.537% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QE    LYS+ 106  13.72 +/- 3.05   0.726% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QE    LYS+ 106  12.90 +/- 2.16   0.556% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  16.50 +/- 2.89   0.328% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  14.10 +/- 1.92   0.346% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  14.34 +/- 1.59   0.324% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  19.26 +/- 3.80   0.153% *  0.0373% (0.38   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 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   2.84 +/- 0.24  92.867% * 99.6302% (0.73  10.0 10.00   3.31  60.17) =  99.997%  kept
          QE    LYS+ 112 - HA    VAL  107  10.54 +/- 1.42   2.335% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    VAL  107  11.23 +/- 1.83   1.831% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    VAL  107  19.73 +/- 2.25   0.372% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107  11.13 +/- 2.09   2.056% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.58 +/- 2.67   0.223% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.44 +/- 1.11   0.316% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 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   2.84 +/- 0.24  93.101% * 99.7511% (0.73  10.0 10.00   3.31  60.17) =  99.997%  kept
          HA    ALA  110 - HB    VAL  107   8.81 +/- 1.54   4.479% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB    VAL  107  14.62 +/- 0.77   0.722% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  18.44 +/- 2.95   0.593% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HB    VAL  107  15.89 +/- 2.58   0.657% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  17.18 +/- 0.89   0.448% *  0.0222% (0.16   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 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   2.74 +/- 0.29  91.405% * 99.4465% (1.00  10.0 10.00   3.58  65.09) =  99.992%  kept
          HB2   PRO   93 - HA    VAL  108   8.23 +/- 1.72   5.481% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HA    VAL  108  15.53 +/- 2.82   1.180% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    VAL  108  14.20 +/- 1.83   0.841% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  20.98 +/- 1.89   0.247% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.45 +/- 0.62   0.182% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.17 +/- 2.34   0.219% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.30 +/- 2.91   0.385% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  34.48 +/- 4.23   0.060% *  0.0135% (0.14   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 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   2.64 +/- 0.16  96.708% * 99.8607% (1.00  10.0 10.00   3.97  65.09) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  14.31 +/- 2.59   0.763% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - HA    VAL  108  13.83 +/- 1.99   0.932% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.35 +/- 2.91   1.024% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  16.67 +/- 3.82   0.572% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.49 +/- 0.51  95.029% * 99.7938% (1.00  10.0 10.00   3.30  65.09) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  11.47 +/- 1.14   1.487% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  10.15 +/- 1.57   2.685% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL  108  13.60 +/- 0.57   0.799% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.06 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   2.74 +/- 0.29  81.652% * 96.1481% (1.00  10.0 10.00   3.58  65.09) =  99.514%  kept
          HA1   GLY  109 - HB    VAL  108   5.71 +/- 0.25  10.260% *  3.7059% (0.31   1.0  1.00   2.50   7.42) =   0.482%  kept
          HA    CYS   50 - HB    VAL  108  16.02 +/- 3.50   5.012% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   47 - HB    VAL  108  14.40 +/- 2.40   1.206% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB    VAL  108  18.77 +/- 3.49   1.870% *  0.0190% (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 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  98.702% * 99.8607% (1.00  10.0 10.00   3.75  65.09) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  15.83 +/- 2.91   0.329% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.35 +/- 1.99   0.391% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.30 +/- 3.06   0.355% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  17.76 +/- 3.55   0.224% *  0.0198% (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 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 +/- 0.01  98.460% * 99.1471% (1.00  10.0 10.00   3.30  65.09) =  99.996%  kept
        T QD1   ILE  119 - HB    VAL  108  12.99 +/- 1.32   0.480% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HB    VAL  108  13.01 +/- 0.47   0.438% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.20 +/- 1.38   0.622% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 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   2.64 +/- 0.16  57.938% * 95.2113% (1.00  10.0 10.00   3.97  65.09) =  97.817%  kept
          HA1   GLY  109 - QG1   VAL  108   3.50 +/- 0.29  26.385% *  4.6441% (0.31   1.0  1.00   3.16   7.42) =   2.173%  kept
          HA    CYS   50 - QG1   VAL  108  12.68 +/- 3.29  13.301% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   47 - QG1   VAL  108  11.37 +/- 2.22   1.026% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - QG1   VAL  108  14.88 +/- 3.02   1.350% *  0.0188% (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 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  95.851% * 99.4465% (1.00  10.0 10.00   3.75  65.09) =  99.996%  kept
          HB2   PRO   93 - QG1   VAL  108   8.48 +/- 1.86   2.320% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG1   VAL  108  14.27 +/- 2.95   0.878% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG1   VAL  108  14.05 +/- 1.56   0.375% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.38 +/- 1.69   0.138% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.99 +/- 0.79   0.118% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  20.39 +/- 2.12   0.123% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.84 +/- 2.56   0.161% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  30.84 +/- 3.45   0.036% *  0.0135% (0.14   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 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   2.07 +/- 0.03  97.930% * 99.7938% (1.00  10.0 10.00   3.44  65.09) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108  11.47 +/- 1.00   0.628% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.82 +/- 0.37   0.416% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.13 +/- 1.31   1.025% *  0.0375% (0.38   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.7:
    * O T HA    VAL  108 - QG2   VAL  108   2.49 +/- 0.51  79.241% * 96.3200% (1.00  10.0 10.00   3.30  65.09) =  99.231%  kept
          HA1   GLY  109 - QG2   VAL  108   5.05 +/- 0.45  16.671% *  3.5337% (0.31   1.0  1.00   2.38   7.42) =   0.766%  kept
          HA    ALA   47 - QG2   VAL  108  11.56 +/- 2.17   1.386% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - QG2   VAL  108  13.24 +/- 2.93   1.947% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG2   VAL  108  15.46 +/- 2.82   0.755% *  0.0191% (0.20   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 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 +/- 0.01  96.027% * 98.6316% (1.00  10.0 10.00   3.30  65.09) =  99.993%  kept
        T HB    ILE  119 - QG2   VAL  108  13.58 +/- 1.89   0.445% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - QG2   VAL  108   8.56 +/- 1.61   2.225% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL  108  14.88 +/- 2.62   0.522% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG2   VAL  108  17.77 +/- 1.88   0.186% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  18.01 +/- 0.73   0.162% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.86 +/- 2.14   0.161% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.48 +/- 2.46   0.230% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  29.52 +/- 3.52   0.042% *  0.0133% (0.14   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 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   2.07 +/- 0.03  97.904% * 99.8607% (1.00  10.0 10.00   3.44  65.09) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  13.34 +/- 2.08   0.453% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  11.91 +/- 1.53   0.618% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.50 +/- 2.48   0.636% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  14.76 +/- 3.23   0.389% *  0.0198% (0.20   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 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 = 9.34:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.258% * 98.9563% (1.00  10.0 10.00   2.00   9.34) =  99.998%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.59 +/- 2.72   0.192% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR  118 - HA1   GLY  109  14.48 +/- 2.16   0.214% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.80 +/- 3.03   0.183% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.98 +/- 1.93   0.154% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.34:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.044% * 94.0052% (1.00  10.0 10.00   2.00   9.34) =  99.730%  kept
          HA    VAL  108 - HA2   GLY  109   4.44 +/- 0.06   5.742% *  3.9867% (0.31   1.0  1.00   2.75   7.42) =   0.261%  kept
        T HA    CYS   50 - HA2   GLY  109  14.16 +/- 3.91   0.670% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T HA    TRP   49 - HA2   GLY  109  17.09 +/- 3.13   0.178% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   47 - HA2   GLY  109  13.80 +/- 2.62   0.274% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.90 +/- 2.18   0.040% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.40 +/- 0.67   0.052% *  0.0458% (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 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  97.325% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.992%  kept
        T QB    ALA   61 - HA    ALA  110  14.18 +/- 3.91   0.750% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   73 - HA    ALA  110  20.80 +/- 4.66   0.471% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  22.64 +/- 5.01   0.164% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  20.24 +/- 4.15   0.198% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  17.50 +/- 2.84   0.224% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  18.44 +/- 3.03   0.193% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  21.57 +/- 4.30   0.140% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.49 +/- 3.58   0.190% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  24.41 +/- 3.31   0.079% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.30 +/- 1.30   0.193% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.87 +/- 1.41   0.072% *  0.0304% (0.31   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 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.56:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  81.373% * 93.6372% (1.00  10.0 10.00   1.31   9.58) =  99.818%  kept
          HA    PHE   55 - QB    ALA  110  10.00 +/- 3.74   2.428% *  5.3222% (0.87   1.0  1.00   1.31   0.14) =   0.169%  kept
        T HA    ALA  110 - QB    ALA   61  14.18 +/- 3.91   0.628% *  0.6929% (0.74   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL  107 - QB    ALA  110   6.59 +/- 1.83   9.911% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   90 - QB    ALA  110  12.81 +/- 3.25   0.785% *  0.0918% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QB    ALA   61   9.97 +/- 1.69   1.116% *  0.0601% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QB    ALA  110  10.55 +/- 3.00   1.330% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  15.88 +/- 3.19   0.312% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  10.76 +/- 1.60   0.869% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.43 +/- 1.59   0.382% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.97 +/- 2.09   0.391% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  14.68 +/- 3.58   0.475% *  0.0137% (0.15   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 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 = 0.998, support = 7.95, residual support = 313.1:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.63 +/- 0.28  79.337% * 97.0051% (1.00  10.0 10.00   7.98 314.55) =  99.523%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.52 +/- 0.69  18.335% *  2.0020% (0.57   1.0  1.00   0.73   0.02) =   0.475%  kept
        T HG3   GLN   30 - HA    LYS+ 111  25.46 +/- 3.40   0.116% *  0.4722% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  12.27 +/- 0.97   0.887% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  23.73 +/- 3.52   0.222% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  22.38 +/- 4.03   0.431% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  25.41 +/- 3.49   0.122% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.76 +/- 2.98   0.105% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  28.75 +/- 4.43   0.092% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.48 +/- 2.51   0.147% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  24.55 +/- 2.81   0.126% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.30 +/- 1.41   0.078% *  0.0270% (0.28   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 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.5:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.32 +/- 0.58  74.093% * 99.2615% (1.00  10.0 10.00   7.31 314.55) =  99.987%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.42 +/- 2.58  16.675% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  44 - HA    LYS+ 111  13.78 +/- 2.30   1.685% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LYS+ 111  15.25 +/- 1.99   1.109% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+ 111  13.33 +/- 2.86   2.814% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  22.76 +/- 4.15   0.460% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+ 111  16.62 +/- 2.00   0.792% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.96 +/- 2.62   0.946% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.72 +/- 1.16   0.421% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.59 +/- 4.02   0.220% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  23.90 +/- 1.68   0.237% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.52 +/- 1.93   0.403% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  28.84 +/- 3.49   0.145% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.987, support = 7.28, residual support = 308.6:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.80 +/- 0.60  82.202% * 89.5580% (1.00  10.0 10.00   7.31 314.55) =  97.924%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.06 +/- 1.57  15.756% *  9.8919% (0.38   1.0  1.00   5.89  28.58) =   2.073%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  18.32 +/- 3.38   0.420% *  0.3361% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HA    LYS+ 111  17.31 +/- 3.34   0.858% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HA    LYS+ 111  23.41 +/- 3.58   0.211% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  23.65 +/- 3.79   0.198% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  23.78 +/- 1.36   0.189% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.44 +/- 2.53   0.168% *  0.0177% (0.20   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 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.4:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.29 +/- 0.80  73.647% * 98.3525% (1.00 10.00   6.21 314.55) =  99.964%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.21 +/- 2.96  13.205% *  0.0853% (0.87  1.00   0.02   0.02) =   0.016%
          HB3   MET   92 - HA    LYS+ 111   9.57 +/- 2.94   7.276% *  0.0964% (0.98  1.00   0.02   0.02) =   0.010%
        T QD    LYS+ 102 - HA    LYS+ 111  21.64 +/- 1.70   0.384% *  0.6756% (0.69 10.00   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HA    LYS+ 111  12.60 +/- 1.59   2.487% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 111  25.58 +/- 3.64   0.353% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 111  18.68 +/- 2.55   0.622% *  0.1518% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 111  20.51 +/- 3.96   0.637% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  18.09 +/- 1.34   0.618% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  20.46 +/- 1.59   0.434% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.29 +/- 3.43   0.338% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.5:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.08 +/- 0.59  85.110% * 98.5544% (1.00 10.00   6.21 314.55) =  99.979%  kept
          QB    ALA   57 - HA    LYS+ 111  11.21 +/- 3.00   8.134% *  0.0983% (1.00  1.00   0.02   0.02) =   0.010%
        T QD    LYS+  33 - HA    LYS+ 111  25.44 +/- 2.19   0.433% *  0.8839% (0.90 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HA    LYS+ 111  18.68 +/- 2.55   1.207% *  0.2457% (0.25 10.00   0.02   0.02) =   0.004%
          HD2   LYS+  74 - HA    LYS+ 111  19.00 +/- 3.06   1.294% *  0.0823% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+ 111  19.11 +/- 1.36   0.955% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.38 +/- 1.63   2.161% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  22.29 +/- 3.43   0.706% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.5:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.51 +/- 0.61  90.656% * 99.8490% (1.00 10.00   5.62 314.55) =  99.990%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.98 +/- 2.48   8.815% *  0.0945% (0.95  1.00   0.02   0.02) =   0.009%
          HB2   CYS   21 - HA    LYS+ 111  22.72 +/- 3.18   0.529% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 314.5:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.63 +/- 0.28  97.320% * 99.7221% (1.00  10.0 10.00   7.98 314.55) =  99.998%  kept
          HA    PRO   52 - HB2   LYS+ 111  13.08 +/- 4.63   2.389% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - HG3   GLN   30  25.46 +/- 3.40   0.142% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  26.18 +/- 4.20   0.148% *  0.0130% (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 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 = 0.998, support = 7.31, residual support = 313.9:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.72 +/- 0.25  71.393% * 94.4333% (1.00  10.0 10.00   7.31 314.55) =  99.762%  kept
          HB2   LEU   31 - HG3   GLN   30   7.67 +/- 0.45   3.417% *  4.5519% (0.20   1.0  1.00   4.84  51.62) =   0.230%  kept
          HG2   LYS+  99 - HG3   GLN   30  15.24 +/- 3.82  12.481% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HB2   LYS+ 111   9.74 +/- 2.28   2.320% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  14.59 +/- 2.15   0.557% *  0.0686% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  15.75 +/- 2.11   0.401% *  0.0789% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.02 +/- 3.63   0.115% *  0.1898% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  20.41 +/- 5.07   1.650% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  25.79 +/- 4.65   0.183% *  0.0936% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  19.07 +/- 7.01   0.733% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  17.67 +/- 1.55   0.297% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.83 +/- 4.08   0.142% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.39 +/- 3.06   0.143% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.28 +/- 2.60   0.799% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  19.23 +/- 1.44   0.215% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.20 +/- 2.28   0.635% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.81 +/- 1.27   0.653% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  18.06 +/- 2.27   0.282% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.54 +/- 2.94   1.044% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  20.38 +/- 2.39   0.206% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  28.69 +/- 4.32   0.115% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.62 +/- 2.26   0.623% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  18.27 +/- 4.27   0.403% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  15.06 +/- 2.83   0.746% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  21.82 +/- 4.38   0.194% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.22 +/- 2.84   0.255% *  0.0059% (0.06   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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.994, support = 7.27, residual support = 311.9:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.84 +/- 0.22  63.294% * 88.3898% (1.00  10.0 10.00   7.29 314.55) =  99.063%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.57 +/- 1.30   5.094% * 10.2893% (0.38   1.0  1.00   6.20  28.58) =   0.928%  kept
        T HG2   LYS+  74 - HB2   LYS+ 111  19.15 +/- 3.08   0.336% *  0.3317% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG3   GLN   30  12.78 +/- 2.61   1.089% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  23.70 +/- 4.07   0.166% *  0.3634% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   6.10 +/- 1.59  16.637% *  0.0035% (0.04   1.0  1.00   0.02  14.80) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   9.77 +/- 2.73   4.719% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HG3   GLN   30  15.71 +/- 3.91   5.039% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  18.52 +/- 3.12   0.345% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HG3   GLN   30  26.02 +/- 3.87   0.122% *  0.1777% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  24.63 +/- 2.69   0.119% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30  10.39 +/- 2.48   2.362% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.55 +/- 3.78   0.174% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.23 +/- 2.62   0.142% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  22.36 +/- 5.24   0.220% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  24.56 +/- 5.26   0.141% *  0.0067% (0.08   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 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.5:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.64 +/- 0.50  56.530% * 97.6852% (1.00  10.0 10.00   6.61 314.55) =  99.972%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.74 +/- 2.76   5.128% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU   73 - HG3   GLN   30   8.17 +/- 3.26  15.837% *  0.0176% (0.18   1.0  1.00   0.02   3.13) =   0.005%
          HB3   MET   92 - HB2   LYS+ 111  10.95 +/- 2.65   1.876% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - HG3   GLN   30  14.25 +/- 3.93  12.963% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.32 +/- 2.22   0.131% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HB2   LYS+ 111  12.49 +/- 2.65   0.974% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  19.20 +/- 2.39   0.274% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HG3   GLN   30  22.38 +/- 5.74   2.340% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   GLN   30  17.27 +/- 3.24   0.299% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  15.25 +/- 3.19   1.177% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.84 +/- 1.35   0.456% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+ 111  25.42 +/- 4.40   0.090% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  17.51 +/- 1.53   0.279% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.17 +/- 2.88   0.123% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.02 +/- 3.98   0.196% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  26.41 +/- 3.72   0.077% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.95 +/- 2.77   0.185% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.19 +/- 2.80   0.245% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.33 +/- 3.41   0.141% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  19.20 +/- 7.03   0.576% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.38 +/- 2.41   0.101% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.975, support = 6.44, residual support = 304.9:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.13 +/- 0.40  60.103% * 91.4383% (1.00  10.0 10.00   6.61 314.55) =  96.942%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.87 +/- 0.97  24.915% *  6.9319% (0.18   1.0 10.00   0.84   0.52) =   3.047%  kept
          QB    ALA   57 - HB2   LYS+ 111  11.99 +/- 2.67   1.645% *  0.0912% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HB2   LYS+ 111  25.50 +/- 2.63   0.139% *  0.8200% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HG3   GLN   30  22.89 +/- 6.06   4.576% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  19.20 +/- 2.39   0.303% *  0.2280% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  15.25 +/- 3.19   1.351% *  0.0458% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  18.57 +/- 1.49   0.330% *  0.0820% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  26.82 +/- 3.66   0.140% *  0.1838% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  19.76 +/- 2.92   0.331% *  0.0764% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  14.72 +/- 2.54   0.878% *  0.0254% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  13.02 +/- 2.58   1.391% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.43 +/- 3.79   0.809% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  19.96 +/- 4.93   1.936% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  19.20 +/- 7.03   0.962% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.33 +/- 3.41   0.192% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 314.5:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.70 +/- 0.64  63.794% * 99.6189% (1.00 10.00   6.05 314.55) =  99.990%  kept
          HB2   CYS   21 - HG3   GLN   30   6.27 +/- 2.67  32.971% *  0.0113% (0.11  1.00   0.02   0.02) =   0.006%
          HB2   PHE   45 - HB2   LYS+ 111  14.04 +/- 2.08   1.925% *  0.0942% (0.95  1.00   0.02   0.02) =   0.003%
        T QE    LYS+ 111 - HG3   GLN   30  24.09 +/- 3.06   0.262% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  23.11 +/- 3.20   0.333% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  17.81 +/- 2.09   0.716% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 314.5:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.32 +/- 0.58  95.173% * 99.9354% (1.00  10.0 10.00   7.31 314.55) =  99.997%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.47 +/- 5.35   4.827% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.31, residual support = 314.3:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.72 +/- 0.25  73.595% * 98.7268% (1.00  10.0 10.00   7.31 314.55) =  99.910%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.78 +/- 1.28  24.539% *  0.2628% (0.57   1.0  1.00   0.09   0.02) =   0.089%
        T HG3   GLN   30 - HG2   LYS+ 111  26.02 +/- 3.63   0.115% *  0.4806% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   LYS+ 111  13.07 +/- 1.77   0.807% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  24.74 +/- 3.81   0.133% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.51 +/- 2.97   0.094% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  26.43 +/- 3.13   0.090% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  29.29 +/- 4.66   0.098% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  23.33 +/- 4.32   0.200% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.20 +/- 2.48   0.120% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.07 +/- 3.02   0.123% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.06 +/- 3.00   0.087% *  0.0274% (0.28   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 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 = 314.0:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  97.848% * 89.3029% (1.00  10.0 10.00   6.98 314.55) =  99.816%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.34 +/- 1.64   1.754% *  9.0778% (0.38   1.0  1.00   5.42  28.58) =   0.182%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  18.52 +/- 3.56   0.127% *  0.8851% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.70 +/- 3.02   0.090% *  0.3352% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.54 +/- 2.97   0.047% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.17 +/- 3.38   0.049% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  24.32 +/- 3.61   0.047% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.17 +/- 2.64   0.037% *  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 = 314.4:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.96 +/- 0.07  81.960% * 97.1375% (1.00  10.0 10.00   6.21 314.55) =  99.961%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  12.50 +/- 2.73   1.857% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.016%
          HG3   PRO   93 - HG2   LYS+ 111  10.00 +/- 3.25  10.440% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.011%
          HB3   MET   92 - HG2   LYS+ 111  10.88 +/- 3.21   3.646% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HG2   LYS+ 111  20.21 +/- 3.09   0.321% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.35 +/- 2.33   0.248% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HG2   LYS+ 111  25.62 +/- 4.37   0.200% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.99 +/- 2.46   0.327% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HG2   LYS+ 111  18.43 +/- 1.93   0.383% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  21.43 +/- 3.81   0.352% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  23.38 +/- 3.73   0.267% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.5:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.46 +/- 0.22  97.319% * 97.8296% (1.00  10.0 10.00   6.21 314.55) =  99.995%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  20.34 +/- 2.74   0.209% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   LYS+ 111  12.70 +/- 2.82   1.171% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+ 111  25.85 +/- 2.81   0.102% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.99 +/- 2.46   0.228% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  19.49 +/- 1.73   0.214% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  15.62 +/- 3.14   0.586% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  23.38 +/- 3.73   0.172% *  0.0194% (0.20   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 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.5:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.67 +/- 0.45  98.673% * 99.8490% (1.00  10.0 10.00   5.62 314.55) =  99.999%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.27 +/- 2.42   1.121% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  23.46 +/- 3.50   0.207% *  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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.5:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.60  96.665% * 99.8218% (1.00  10.0 10.00   7.31 314.55) =  99.998%  kept
          HA    PRO   52 - HG3   LYS+ 111  13.14 +/- 5.20   2.061% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG2   LYS+  74  18.32 +/- 3.38   0.492% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HG2   LYS+  74  16.72 +/- 2.93   0.783% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 7.28, residual support = 314.3:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.84 +/- 0.22  63.793% * 98.0422% (1.00  10.0 10.00   7.29 314.55) =  99.912%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.12 +/- 1.10  19.304% *  0.2609% (0.57   1.0  1.00   0.09   0.02) =   0.080%
        T HB    ILE   19 - HG2   LYS+  74  10.58 +/- 4.35   2.180% *  0.0510% (0.05   1.0 10.00   0.02   7.80) =   0.002%
        T HB    ILE   19 - HG3   LYS+ 111  24.21 +/- 2.83   0.126% *  0.4772% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   LYS+  74  12.78 +/- 2.61   1.094% *  0.0510% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  26.02 +/- 3.87   0.110% *  0.4772% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG2   LYS+  74  19.15 +/- 3.08   0.338% *  0.1048% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   LYS+  74  14.48 +/- 3.02   3.622% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   LYS+ 111  13.29 +/- 1.82   0.852% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  24.82 +/- 3.89   0.182% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  13.15 +/- 4.69   1.396% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  23.45 +/- 4.39   0.305% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  26.42 +/- 3.73   0.103% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.63 +/- 3.31   0.093% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  29.15 +/- 4.94   0.095% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  12.50 +/- 2.48   2.738% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  15.48 +/- 3.11   0.538% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.40 +/- 2.62   1.094% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  15.52 +/- 2.68   0.669% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  16.72 +/- 2.20   0.356% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.10 +/- 3.26   0.115% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  27.38 +/- 2.75   0.083% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.15 +/- 3.13   0.638% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.46 +/- 2.46   0.175% *  0.0029% (0.03   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 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 314.5:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  83.743% * 98.9181% (1.00  10.0 10.00   6.98 314.55) =  99.997%  kept
          HB3   PRO   93 - HG3   LYS+ 111   9.68 +/- 3.05   1.885% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HG2   LYS+  74   8.28 +/- 2.87   5.649% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+  74   6.17 +/- 1.48   3.183% *  0.0077% (0.08   1.0  1.00   0.02   5.17) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.01 +/- 2.70   0.200% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.53 +/- 2.48   0.143% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.17 +/- 3.35   0.577% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.70 +/- 3.02   0.077% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.55 +/- 2.27   0.082% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.50 +/- 2.77   0.081% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.65 +/- 4.77   0.067% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  17.25 +/- 2.21   0.107% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.75 +/- 3.05   0.130% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  25.99 +/- 4.37   0.041% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.55 +/- 1.32   2.196% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.02 +/- 3.00   0.038% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  12.72 +/- 2.50   0.337% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.32 +/- 1.65   0.057% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.70 +/- 2.45   0.270% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.80 +/- 2.65   0.060% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  29.21 +/- 4.25   0.026% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  11.37 +/- 1.56   0.377% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.79 +/- 1.23   0.311% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.98 +/- 2.12   0.169% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  16.05 +/- 1.81   0.126% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.04 +/- 2.66   0.067% *  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 = 314.0:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.70 +/- 0.20  71.809% * 94.6583% (1.00  10.0 10.00   5.39 314.55) =  99.801%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.92 +/- 0.76   5.116% *  2.1621% (0.10   1.0  1.00   4.77  42.01) =   0.162%  kept
          HG3   PRO   93 - HG3   LYS+ 111   9.46 +/- 3.47  10.809% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.013%
        T QD    LYS+ 106 - HG3   LYS+ 111  12.58 +/- 2.61   1.173% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.012%
          HB3   MET   92 - HG3   LYS+ 111  10.36 +/- 3.36   2.996% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HG3   LYS+ 111  20.55 +/- 2.80   0.213% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.56 +/- 2.36   0.171% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HG3   LYS+ 111  25.90 +/- 4.23   0.144% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  74   9.65 +/- 2.35   2.542% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG2   LYS+  74  17.53 +/- 2.35   0.505% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  15.80 +/- 2.48   0.467% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.91 +/- 2.78   0.224% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  19.88 +/- 3.45   0.246% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.84 +/- 1.86   0.249% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  21.33 +/- 3.89   0.247% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  19.83 +/- 2.05   0.229% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  18.84 +/- 2.93   0.329% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  12.85 +/- 1.64   0.822% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  14.66 +/- 1.49   0.530% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  23.10 +/- 4.10   0.215% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.41 +/- 3.14   0.218% *  0.0091% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.49 +/- 2.07   0.745% *  0.0020% (0.02   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.922, support = 5.41, residual support = 303.6:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.81 +/- 0.27  44.542% * 89.7666% (1.00  10.0 10.00   5.39 314.55) =  91.463%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.77 +/- 0.23  46.513% *  8.0133% (0.09  10.0 10.00   5.54 187.00) =   8.526%  kept
        T HD2   LYS+  74 - HG3   LYS+ 111  20.19 +/- 3.12   0.165% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG3   LYS+ 111  12.47 +/- 3.21   1.137% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 111  25.91 +/- 2.90   0.062% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  74   9.65 +/- 2.35   1.683% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.91 +/- 2.78   0.170% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  15.01 +/- 2.52   0.420% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  10.35 +/- 2.92   3.556% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.57 +/- 3.36   0.176% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.87 +/- 1.71   0.131% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.10 +/- 2.74   0.345% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  23.10 +/- 4.10   0.154% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.19 +/- 3.48   0.154% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.49 +/- 2.07   0.514% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  17.07 +/- 2.65   0.276% *  0.0027% (0.03   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 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 314.5:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.51 +/- 0.49  91.024% * 99.7265% (1.00  10.0 10.00   5.44 314.55) =  99.997%  kept
          HB2   PHE   45 - HG3   LYS+ 111  13.93 +/- 2.84   1.627% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG2   LYS+  74  18.18 +/- 2.77   0.359% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   9.69 +/- 4.71   4.225% *  0.0060% (0.06   1.0  1.00   0.02   7.80) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   9.63 +/- 1.50   2.500% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  23.35 +/- 3.53   0.265% *  0.0565% (0.57   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 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.5:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.29 +/- 0.80  87.606% * 99.4172% (1.00 10.00   6.21 314.55) =  99.990%  kept
          HA    PRO   52 - HD2   LYS+ 111  13.17 +/- 5.50   8.993% *  0.0643% (0.65  1.00   0.02   0.02) =   0.007%
        T HA    LYS+ 111 - QD    LYS+ 102  21.64 +/- 1.70   0.458% *  0.2599% (0.26 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - QD    LYS+  65  18.68 +/- 2.55   0.763% *  0.1523% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - QD    LYS+  38  25.58 +/- 3.64   0.417% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.10 +/- 2.43   1.309% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.77 +/- 2.11   0.257% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  29.26 +/- 2.38   0.197% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.999, support = 6.61, residual support = 314.4:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.64 +/- 0.50  45.120% * 97.7434% (1.00  10.0 10.00   6.61 314.55) =  99.938%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.36 +/- 1.06   8.469% *  0.2601% (0.57   1.0  1.00   0.09   0.02) =   0.050%
          HB2   GLN   17 - QD    LYS+  65  11.12 +/- 4.62   6.206% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  15.25 +/- 3.19   0.836% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+ 102  17.27 +/- 3.24   0.393% *  0.1244% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   8.08 +/- 5.75  17.363% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  26.41 +/- 3.72   0.061% *  0.4758% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.32 +/- 2.22   0.096% *  0.2555% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  19.20 +/- 2.39   0.155% *  0.1497% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.70 +/- 1.69   1.467% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  13.22 +/- 4.75   2.551% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.25 +/- 3.89   0.176% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   8.44 +/- 1.65   1.934% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  23.89 +/- 4.32   0.314% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.84 +/- 1.35   0.335% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  13.01 +/- 3.09   0.738% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.58 +/- 3.80   1.222% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.55 +/- 0.94   0.367% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.95 +/- 4.17   0.313% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.87 +/- 1.80   1.220% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.66 +/- 3.60   0.070% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  13.17 +/- 4.44   2.175% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.02 +/- 3.31   1.949% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.02 +/- 4.65   0.260% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.84 +/- 3.22   0.055% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.51 +/- 5.33   0.224% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  29.43 +/- 4.93   0.057% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  25.42 +/- 4.40   0.063% *  0.0736% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.02 +/- 2.44   1.372% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.17 +/- 4.04   0.591% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  24.52 +/- 2.78   0.072% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.69 +/- 4.01   0.122% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.88 +/- 1.79   0.202% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.18 +/- 2.92   0.232% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  19.73 +/- 5.18   0.246% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  20.48 +/- 3.17   0.192% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.51 +/- 1.98   0.303% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  20.83 +/- 5.47   0.518% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.72 +/- 2.90   0.338% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  25.49 +/- 3.24   0.063% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  15.02 +/- 2.54   0.354% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  17.69 +/- 3.30   0.171% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  27.71 +/- 3.01   0.044% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  12.37 +/- 1.54   0.478% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.98 +/- 3.47   0.125% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.88 +/- 1.16   0.103% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  20.08 +/- 4.17   0.145% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.15 +/- 4.02   0.139% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.904, support = 6.15, residual support = 304.8:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.96 +/- 0.07  24.954% * 90.8110% (1.00  10.0 10.00   6.21 314.55) =  89.814%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.39 +/- 0.15  46.457% *  5.4729% (0.06  10.0 10.00   5.75 221.17) =  10.077%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.07 +/- 3.28   4.594% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.051%
        T HG2   LYS+  99 - QD    LYS+ 102   8.75 +/- 1.50   1.861% *  0.2129% (0.23   1.0 10.00   0.02   1.29) =   0.016%
        T HG2   LYS+  38 - QD    LYS+ 102  14.57 +/- 5.50   2.055% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   LYS+  99 - QD    LYS+  38   8.92 +/- 4.68   4.058% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  99 - QD    LYS+  65  18.49 +/- 5.25   0.597% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  38 - QD    LYS+  65  18.50 +/- 4.77   0.517% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.32 +/- 3.19   0.058% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  38 - HD2   LYS+ 111  29.61 +/- 4.25   0.036% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   7.61 +/- 1.42   2.339% *  0.0106% (0.12   1.0  1.00   0.02   1.60) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.92 +/- 0.83   1.561% *  0.0116% (0.13   1.0  1.00   0.02   3.17) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.35 +/- 2.33   0.076% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  15.44 +/- 2.82   0.247% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.99 +/- 2.46   0.104% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+ 111  16.86 +/- 2.43   0.170% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+  65  16.60 +/- 4.93   1.949% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.06 +/- 4.20   0.815% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  10.62 +/- 2.45   0.919% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  14.21 +/- 4.30   0.391% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.04 +/- 4.92   0.079% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.54 +/- 3.24   0.460% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.45 +/- 2.25   0.144% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  26.40 +/- 4.75   0.058% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.03 +/- 2.99   0.155% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  25.62 +/- 4.37   0.064% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.39 +/- 1.63   0.082% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.18 +/- 2.93   0.084% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  20.46 +/- 5.89   0.155% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.78 +/- 1.29   0.464% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.53 +/- 2.45   0.321% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.33 +/- 1.92   0.143% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  17.64 +/- 4.49   0.227% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.17 +/- 3.24   0.114% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  20.01 +/- 6.05   0.166% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.92 +/- 3.49   0.705% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  18.19 +/- 2.85   0.132% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.25 +/- 2.55   0.374% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.02 +/- 3.78   0.170% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.27 +/- 5.31   0.314% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.53 +/- 2.40   0.542% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  16.95 +/- 2.62   0.181% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.33 +/- 3.32   0.158% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.19 +/- 2.53   0.200% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  15.96 +/- 2.02   0.193% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.72 +/- 1.60   0.091% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.40 +/- 1.54   0.111% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.87 +/- 3.76   0.061% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  23.67 +/- 3.18   0.058% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  21.94 +/- 2.30   0.070% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  22.93 +/- 2.26   0.062% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.97 +/- 1.89   0.108% *  0.0011% (0.01   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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.995, support = 5.38, residual support = 312.1:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.70 +/- 0.20  56.110% * 90.8441% (1.00  10.0 10.00   5.39 314.55) =  99.148%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.23 +/- 1.96   5.716% *  7.4473% (0.38   1.0  1.00   4.37  28.58) =   0.828%  kept
        T HG3   LYS+  99 - QD    LYS+ 102   8.70 +/- 1.96   7.854% *  0.0810% (0.09   1.0 10.00   0.02   1.29) =   0.012%
        T HG3   LYS+  99 - QD    LYS+  38   9.43 +/- 4.85   8.088% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+  65   9.65 +/- 2.35   2.008% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.88 +/- 3.45   0.195% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.56 +/- 2.36   0.133% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD    LYS+  65  18.59 +/- 5.07   0.645% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.18 +/- 2.75   0.097% *  0.3099% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  18.36 +/- 3.91   0.296% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.91 +/- 2.78   0.179% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  19.83 +/- 2.05   0.177% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.31 +/- 4.29   4.765% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.11 +/- 2.94   2.073% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.68 +/- 2.96   2.056% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.63 +/- 3.71   2.868% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.69 +/- 3.49   2.852% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  25.90 +/- 4.23   0.113% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  18.84 +/- 2.93   0.254% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  19.58 +/- 4.21   0.256% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  24.70 +/- 3.62   0.109% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  16.76 +/- 4.62   0.443% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  17.19 +/- 4.46   0.395% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.86 +/- 3.79   0.102% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.69 +/- 3.23   0.250% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.36 +/- 3.16   0.538% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  25.51 +/- 2.54   0.075% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.34 +/- 2.64   0.835% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  18.74 +/- 3.32   0.214% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  23.17 +/- 2.98   0.105% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  25.51 +/- 3.27   0.081% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  25.34 +/- 4.05   0.117% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.04 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 = 314.5:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.33 +/- 0.13  95.153% * 99.2899% (1.00  10.0 10.00   4.97 314.55) =  99.998%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.43 +/- 3.05   0.910% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+ 102  19.80 +/- 1.90   0.185% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.61 +/- 2.07   0.228% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.09 +/- 3.28   0.938% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  23.97 +/- 3.48   0.128% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  14.22 +/- 3.93   1.060% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  14.95 +/- 3.11   0.587% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.36 +/- 1.72   0.272% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  23.68 +/- 3.18   0.109% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.44 +/- 1.81   0.297% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.61 +/- 1.40   0.131% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.5:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.08 +/- 0.59  85.629% * 98.7339% (1.00 10.00   6.21 314.55) =  99.983%  kept
          HA    PRO   52 - HD3   LYS+ 111  13.77 +/- 5.86  10.878% *  0.0639% (0.65  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 111 - QD    LYS+  33  25.44 +/- 2.19   0.437% *  0.8848% (0.90 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 111 - QD    LYS+  65  18.68 +/- 2.55   1.223% *  0.2444% (0.25 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - QD    LYS+  33  26.88 +/- 3.29   0.410% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.10 +/- 2.43   1.423% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.958, support = 6.2, residual support = 291.8:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.13 +/- 0.40  33.615% * 81.7024% (1.00  10.0 10.00   6.61 314.55) =  92.757%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.87 +/- 0.97  13.657% * 14.9874% (0.44   1.0 10.00   0.84   0.52) =   6.913%  kept
          HB2   GLN   30 - QD    LYS+  33   5.09 +/- 0.79   9.595% *  0.6855% (0.20   1.0  1.00   0.84   0.52) =   0.222%  kept
          QB    GLU- 114 - HD3   LYS+ 111   5.63 +/- 1.24   8.620% *  0.2174% (0.57   1.0  1.00   0.09   0.02) =   0.063%
          QB    GLU-  15 - QD    LYS+  33   8.46 +/- 3.44   5.484% *  0.0726% (0.89   1.0  1.00   0.02   0.02) =   0.013%
          HB    ILE   19 - QD    LYS+  33   7.26 +/- 2.12   6.007% *  0.0356% (0.44   1.0  1.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - QD    LYS+  65  11.12 +/- 4.62   5.431% *  0.0200% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QD    LYS+  33  11.06 +/- 2.90   1.302% *  0.0726% (0.89   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLN   30 - QD    LYS+  65  15.25 +/- 3.19   0.704% *  0.0985% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  33  25.50 +/- 2.63   0.077% *  0.7321% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD    LYS+  33  12.04 +/- 1.50   0.720% *  0.0657% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  33  14.71 +/- 2.69   0.611% *  0.0635% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.70 +/- 1.69   2.043% *  0.0175% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  19.20 +/- 2.39   0.166% *  0.2023% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  26.82 +/- 3.66   0.076% *  0.3977% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  33  14.94 +/- 2.93   0.839% *  0.0301% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  13.01 +/- 3.09   1.129% *  0.0200% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  65  12.58 +/- 3.80   2.032% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  33  12.99 +/- 3.04   0.884% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65   9.87 +/- 1.80   1.810% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   LYS+ 111  13.87 +/- 1.36   0.448% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  25.78 +/- 4.00   0.104% *  0.0709% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  20.47 +/- 3.06   0.174% *  0.0415% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.02 +/- 3.31   1.308% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  24.40 +/- 4.48   0.171% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.02 +/- 2.44   1.185% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  27.19 +/- 3.61   0.064% *  0.0810% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.22 +/- 3.33   0.061% *  0.0810% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  20.11 +/- 3.52   0.303% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  29.81 +/- 4.88   0.063% *  0.0733% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.51 +/- 1.98   0.326% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  20.48 +/- 3.17   0.202% *  0.0181% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  20.83 +/- 5.47   0.575% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  24.98 +/- 2.65   0.078% *  0.0398% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  25.88 +/- 3.16   0.077% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  27.89 +/- 3.45   0.058% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 314.1:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.46 +/- 0.22  69.543% * 94.0211% (1.00  10.0 10.00   6.21 314.55) =  99.867%  kept
          HB2   LEU   31 - QD    LYS+  33   7.92 +/- 0.58   2.356% *  3.1320% (0.89   1.0  1.00   0.75   1.04) =   0.113%  kept
          QB    ALA  124 - QD    LYS+  33  17.58 +/- 5.32   5.838% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  99 - QD    LYS+  65  18.49 +/- 5.25   0.770% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    LYS+  33   9.54 +/- 1.45   1.921% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  38 - QD    LYS+  65  18.50 +/- 4.77   0.666% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    LYS+  33  12.93 +/- 2.89   1.044% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  10.97 +/- 3.17   2.663% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  25.85 +/- 2.81   0.072% *  0.8425% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.92 +/- 0.83   2.425% *  0.0194% (0.21   1.0  1.00   0.02   3.17) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.99 +/- 2.46   0.163% *  0.2328% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  33  15.65 +/- 2.03   0.413% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.06 +/- 4.20   1.223% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  10.62 +/- 2.45   1.472% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.23 +/- 2.32   0.657% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.60 +/- 4.93   2.235% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.19 +/- 2.67   0.332% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  20.82 +/- 5.91   0.256% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.21 +/- 1.68   0.320% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.45 +/- 2.47   0.236% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  18.03 +/- 2.42   0.232% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.69 +/- 4.91   0.112% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.18 +/- 3.26   0.623% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  26.68 +/- 4.65   0.095% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.53 +/- 2.45   0.560% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  24.51 +/- 3.64   0.085% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.48 +/- 2.00   0.134% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.63 +/- 3.02   0.221% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.56 +/- 3.61   0.213% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.54 +/- 3.17   0.129% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  22.47 +/- 4.03   0.131% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  18.19 +/- 2.85   0.226% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.68 +/- 2.39   0.360% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  29.81 +/- 4.55   0.061% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.25 +/- 2.55   0.593% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.37 +/- 2.03   0.137% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.53 +/- 2.40   0.899% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.19 +/- 2.53   0.359% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.33 +/- 3.32   0.225% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 313.1:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.81 +/- 0.27  59.392% * 90.2671% (1.00  10.0 10.00   5.39 314.55) =  99.495%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   8.97 +/- 1.82   3.488% *  7.4045% (0.38   1.0  1.00   4.37  28.58) =   0.479%  kept
          HB3   LEU   71 - QD    LYS+  33   9.36 +/- 3.67   6.025% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+  65   9.65 +/- 2.35   2.550% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   71 - QD    LYS+  33   9.36 +/- 3.69   5.556% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  33  15.01 +/- 2.52   0.528% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - QD    LYS+  33   6.70 +/- 2.07   9.823% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.57 +/- 3.36   0.248% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  33  25.91 +/- 2.90   0.087% *  0.8089% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD    LYS+  65  18.59 +/- 5.07   0.766% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.91 +/- 2.78   0.253% *  0.2235% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  19.13 +/- 4.04   0.380% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD    LYS+  33  13.39 +/- 2.92   0.965% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.11 +/- 2.94   2.160% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.31 +/- 4.29   4.144% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.68 +/- 2.96   1.582% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  23.62 +/- 4.58   0.138% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.36 +/- 3.16   1.057% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.69 +/- 3.23   0.321% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.19 +/- 3.33   0.108% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  25.33 +/- 3.57   0.109% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.35 +/- 3.26   0.118% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  24.55 +/- 3.81   0.112% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  25.97 +/- 2.55   0.088% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 314.5:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.42 +/- 0.13  94.360% * 98.5534% (1.00  10.0 10.00   4.97 314.55) =  99.996%  kept
          HB2   CYS   21 - QD    LYS+  33   9.71 +/- 2.39   2.179% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  23.94 +/- 2.24   0.109% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.61 +/- 2.07   0.241% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.21 +/- 2.88   0.607% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    LYS+  65  14.22 +/- 3.93   1.461% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  14.95 +/- 3.11   0.721% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  19.57 +/- 1.67   0.195% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  24.18 +/- 3.08   0.128% *  0.0558% (0.57   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 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.5:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.51 +/- 0.61  82.943% * 99.9354% (1.00 10.00   5.62 314.55) =  99.987%  kept
          HA    PRO   52 - QE    LYS+ 111  11.62 +/- 5.16  17.057% *  0.0646% (0.65  1.00   0.02   0.02) =   0.013%
    Distance limit 3.49 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 6.05, residual support = 314.2:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.70 +/- 0.64  70.433% * 98.7268% (1.00 10.00   6.05 314.55) =  99.904%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.68 +/- 1.17  24.058% *  0.2628% (0.57  1.00   0.09   0.02) =   0.091%
        T HG3   GLN   30 - QE    LYS+ 111  24.09 +/- 3.06   0.320% *  0.4806% (0.49 10.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QE    LYS+ 111  23.37 +/- 3.29   0.547% *  0.0856% (0.87  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QE    LYS+ 111  12.96 +/- 1.40   1.920% *  0.0220% (0.22  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QE    LYS+ 111  22.16 +/- 3.67   0.835% *  0.0406% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.57 +/- 2.59   0.316% *  0.0979% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.64 +/- 2.36   0.290% *  0.0979% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  26.58 +/- 3.99   0.276% *  0.0885% (0.90  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  22.55 +/- 1.96   0.384% *  0.0481% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  23.29 +/- 2.53   0.349% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  25.25 +/- 2.37   0.272% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.5:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.67 +/- 0.45  78.367% * 99.2615% (1.00  10.0 10.00   5.62 314.55) =  99.990%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.15 +/- 2.76  16.186% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  44 - QE    LYS+ 111  14.20 +/- 2.38   0.838% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  15.82 +/- 2.11   0.571% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QE    LYS+ 111  15.17 +/- 2.34   0.597% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.40 +/- 4.38   0.287% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  12.95 +/- 3.01   1.471% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.86 +/- 2.91   0.651% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  22.32 +/- 2.56   0.189% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.89 +/- 1.57   0.286% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  24.00 +/- 3.69   0.151% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.35 +/- 2.23   0.297% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  27.05 +/- 3.36   0.109% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 5.43, residual support = 313.0:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.51 +/- 0.49  92.398% * 91.1959% (1.00  10.0 10.00   5.44 314.55) =  99.446%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.88 +/- 1.77   5.671% *  8.2439% (0.38   1.0  1.00   4.82  28.58) =   0.552%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  18.18 +/- 2.77   0.365% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+ 111  16.09 +/- 3.79   0.823% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QE    LYS+ 111  22.72 +/- 2.85   0.210% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  22.90 +/- 2.93   0.185% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.20 +/- 2.31   0.193% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  23.49 +/- 1.91   0.156% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.5:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.33 +/- 0.13  76.885% * 98.3525% (1.00  10.0 10.00   4.97 314.55) =  99.972%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.68 +/- 3.20  16.943% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.019%
          HB3   MET   92 - QE    LYS+ 111   9.17 +/- 3.12   3.735% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - QE    LYS+ 111  19.80 +/- 1.90   0.149% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    LYS+ 111  11.63 +/- 2.50   1.257% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QE    LYS+ 111  23.97 +/- 3.48   0.105% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.61 +/- 2.07   0.170% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.79 +/- 1.64   0.195% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  19.87 +/- 3.42   0.192% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.12 +/- 2.40   0.170% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.86 +/- 3.84   0.199% *  0.0195% (0.20   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 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.5:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.42 +/- 0.13  96.902% * 98.5544% (1.00  10.0 10.00   4.97 314.55) =  99.996%  kept
          QB    ALA   57 - QE    LYS+ 111  11.68 +/- 2.85   1.451% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - QE    LYS+ 111  23.94 +/- 2.24   0.112% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.61 +/- 2.07   0.247% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+ 111  18.88 +/- 2.60   0.251% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.69 +/- 1.65   0.233% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  15.42 +/- 2.34   0.487% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.86 +/- 3.84   0.317% *  0.0195% (0.20   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 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 = 237.7:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.71 +/- 0.20  81.405% * 98.3538% (1.00  10.0 10.00   6.00 237.75) =  99.977%  kept
        T HB    VAL   42 - HA    LYS+ 112  13.55 +/- 2.47   1.073% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PRO   93 - HA    LYS+ 112   7.18 +/- 1.72  11.903% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HA    LYS+ 112  14.26 +/- 1.20   0.627% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    LYS+ 112  17.37 +/- 3.92   0.546% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  16.88 +/- 2.50   0.529% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  11.02 +/- 2.16   1.957% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  16.51 +/- 2.29   0.496% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  23.95 +/- 1.37   0.129% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  25.13 +/- 2.76   0.128% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  16.61 +/- 1.35   0.395% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  25.17 +/- 4.92   0.200% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.02 +/- 1.86   0.275% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  17.45 +/- 1.23   0.338% *  0.0245% (0.25   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 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.7:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.34 +/- 0.47  89.641% * 99.8441% (1.00  10.0 10.00   6.08 237.75) =  99.991%  kept
          QG1   VAL   42 - HA    LYS+ 112   9.88 +/- 1.95   5.974% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   47 - HA    LYS+ 112  11.07 +/- 2.41   4.385% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.7:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.95 +/- 0.70  90.139% * 99.8009% (1.00  10.0 10.00   5.76 237.75) =  99.994%  kept
          HG    LEU   63 - HA    LYS+ 112  11.52 +/- 2.67   2.549% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    LYS+ 112   9.38 +/- 1.06   4.264% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HA    LYS+ 112  18.92 +/- 4.38   2.389% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HA    LYS+ 112  16.84 +/- 1.60   0.659% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.846, support = 6.14, residual support = 236.1:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.66 +/- 0.31  63.665% * 40.8070% (0.76  10.0 10.00   6.47 237.75) =  63.302%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.12 +/- 0.88  27.581% * 53.3963% (1.00   1.0 10.00   5.56 237.75) =  35.885%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.24 +/- 0.87   5.854% *  5.6846% (0.38   1.0  1.00   5.67  28.58) =   0.811%  kept
          QG2   THR   94 - HA    LYS+ 112   9.32 +/- 1.45   2.262% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 112  20.39 +/- 3.90   0.336% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.35 +/- 2.72   0.301% *  0.0165% (0.31   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 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 237.7:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.71 +/- 0.20  85.722% * 98.8850% (1.00  10.0 10.00   6.00 237.75) =  99.978%  kept
        T HA    LYS+ 112 - HB    VAL   42  13.55 +/- 2.47   1.129% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.011%
          HB    THR   46 - HB2   LYS+ 112  12.87 +/- 3.75   6.868% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS  122 - HB    VAL   42  10.78 +/- 4.35   4.916% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB2   HIS  122 - HB2   LYS+ 112  16.19 +/- 2.01   0.539% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  13.13 +/- 0.99   0.825% *  0.0539% (0.55   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 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 = 0.833, support = 5.5, residual support = 154.5:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  63.658% * 40.6012% (0.70  10.0 10.00   4.54  90.28) =  56.415%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.67 +/- 0.28  34.618% * 57.6594% (1.00  10.0 10.00   6.74 237.75) =  43.568%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.65 +/- 2.73   0.691% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   42 - HB2   LYS+ 112  11.40 +/- 2.07   0.577% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+ 112 - HB    VAL   42  15.21 +/- 2.84   0.242% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   47 - HB    VAL   42  14.68 +/- 1.23   0.215% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.24 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 = 237.7:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.83 +/- 0.22  79.765% * 98.8037% (1.00  10.0 10.00   5.76 237.75) =  99.979%  kept
        T HG3   LYS+ 112 - HB    VAL   42  15.02 +/- 3.01   0.841% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   63 - HB    VAL   42   7.64 +/- 1.84   8.288% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   63 - HB2   LYS+ 112  12.68 +/- 2.65   1.808% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HB    VAL   42   8.75 +/- 1.74   4.006% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB    VAL   42  13.20 +/- 2.12   1.542% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  11.07 +/- 0.95   1.516% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  11.34 +/- 1.02   1.371% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   LYS+ 112  20.10 +/- 4.70   0.566% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.83 +/- 1.51   0.298% *  0.0246% (0.25   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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.817, support = 6.95, residual support = 237.2:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  76.205% * 40.4585% (0.76  10.0 10.00   7.16 237.75) =  76.996%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.28 +/- 0.60  17.191% * 52.9404% (1.00  10.0 10.00   6.26 237.75) =  22.728%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.00 +/- 1.11   1.925% *  5.5921% (0.38   1.0  1.00   5.63  28.58) =   0.269%  kept
          HB3   LEU   71 - HB    VAL   42   9.04 +/- 2.86   2.950% *  0.0442% (0.84   1.0  1.00   0.02   0.89) =   0.003%
        T HD2   LYS+ 112 - HB    VAL   42  15.65 +/- 3.79   0.195% *  0.4463% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 112 - HB    VAL   42  15.51 +/- 2.55   0.147% *  0.3411% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   8.85 +/- 0.73   0.637% *  0.0357% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  11.05 +/- 1.46   0.373% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  21.68 +/- 4.47   0.085% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  16.96 +/- 2.80   0.111% *  0.0168% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  18.57 +/- 3.02   0.088% *  0.0163% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  17.81 +/- 3.02   0.094% *  0.0138% (0.26   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 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.7:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.34 +/- 0.47  82.513% * 99.8459% (1.00  10.0 10.00   6.08 237.75) =  99.986%  kept
          HB    THR   46 - HG2   LYS+ 112  12.50 +/- 4.24  16.510% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.013%
          HB2   HIS  122 - HG2   LYS+ 112  16.52 +/- 2.67   0.976% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 237.7:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.67 +/- 0.28  83.544% * 98.3538% (1.00  10.0 10.00   6.74 237.75) =  99.984%  kept
        T HB    VAL   42 - HG2   LYS+ 112  15.21 +/- 2.84   0.665% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HG2   LYS+ 112   8.29 +/- 2.63   9.569% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   73 - HG2   LYS+ 112  18.45 +/- 4.95   0.544% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG2   LYS+ 112  17.63 +/- 3.31   0.534% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+ 112  12.13 +/- 3.28   2.984% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.28 +/- 1.70   0.428% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG2   LYS+ 112  17.04 +/- 3.33   0.446% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  25.78 +/- 5.81   0.223% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  26.31 +/- 3.67   0.120% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  25.86 +/- 1.82   0.099% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  18.09 +/- 2.14   0.352% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.28 +/- 1.81   0.286% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.83 +/- 2.61   0.206% *  0.0335% (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 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 = 237.8:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.710% * 99.8009% (1.00  10.0 10.00   6.98 237.75) =  99.999%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.73 +/- 2.89   0.445% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  10.95 +/- 1.41   0.502% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  19.76 +/- 5.08   0.258% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.84 +/- 1.34   0.085% *  0.0249% (0.25   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.885, support = 6.78, residual support = 236.8:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.76 +/- 0.25  43.544% * 53.0088% (1.00  10.0 10.00   6.57 237.75) =  52.207%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.59 +/- 0.27  51.643% * 40.5108% (0.76  10.0 10.00   7.00 237.75) =  47.319%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.63 +/- 1.19   3.278% *  6.3690% (0.38   1.0  1.00   6.40  28.58) =   0.472%  kept
          QG2   THR   94 - HG2   LYS+ 112  10.77 +/- 2.06   1.166% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   LYS+ 112  21.65 +/- 4.76   0.170% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  18.24 +/- 3.51   0.199% *  0.0164% (0.31   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 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.7:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.95 +/- 0.70  80.594% * 99.8459% (1.00  10.0 10.00   5.76 237.75) =  99.984%  kept
          HB    THR   46 - HG3   LYS+ 112  12.51 +/- 4.45  18.671% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          HB2   HIS  122 - HG3   LYS+ 112  16.64 +/- 2.37   0.735% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 237.7:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.83 +/- 0.22  72.954% * 98.3538% (1.00  10.0 10.00   5.76 237.75) =  99.973%  kept
          HB3   PRO   93 - HG3   LYS+ 112   8.03 +/- 3.07  18.922% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.013%
        T HB    VAL   42 - HG3   LYS+ 112  15.02 +/- 3.01   0.760% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.010%
          HB3   LEU   73 - HG3   LYS+ 112  18.44 +/- 4.89   0.594% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 112  17.96 +/- 3.07   0.610% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 112  12.16 +/- 3.38   3.718% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 112  15.70 +/- 1.51   0.502% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 112  16.95 +/- 3.60   0.629% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  25.34 +/- 1.54   0.112% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  26.21 +/- 3.59   0.111% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  17.93 +/- 1.86   0.343% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  25.88 +/- 5.64   0.177% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  20.47 +/- 2.69   0.248% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  18.22 +/- 1.86   0.320% *  0.0245% (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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.8:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  98.136% * 99.8441% (1.00  10.0 10.00   6.98 237.75) =  99.999%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.27 +/- 3.54   1.256% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  11.09 +/- 2.40   0.608% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.80 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 = 0.905, support = 6.13, residual support = 235.9:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.55 +/- 0.19  50.871% * 53.1847% (1.00  10.0 10.00   5.59 237.75) =  61.294%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.76 +/- 0.25  41.075% * 40.6453% (0.76  10.0  1.00   7.02 237.75) =  37.822%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   6.88 +/- 1.34   6.433% *  6.0583% (0.38   1.0  1.00   6.07  28.58) =   0.883%  kept
          QG2   THR   94 - HG3   LYS+ 112  10.41 +/- 2.21   1.272% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   LYS+ 112  21.72 +/- 4.53   0.131% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  17.97 +/- 3.83   0.219% *  0.0164% (0.31   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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 237.7:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.12 +/- 0.88  88.683% * 99.8459% (1.00 10.00   5.56 237.75) =  99.991%  kept
          HB    THR   46 - HD2   LYS+ 112  13.08 +/- 4.16   9.084% *  0.0646% (0.65  1.00   0.02   0.02) =   0.007%
          HB2   HIS  122 - HD2   LYS+ 112  16.80 +/- 3.17   2.233% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.11 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 237.7:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.28 +/- 0.60  67.933% * 98.3538% (1.00  10.0 10.00   6.26 237.75) =  99.963%  kept
        T HB    VAL   42 - HD2   LYS+ 112  15.65 +/- 3.79   1.305% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.018%
          HB3   PRO   93 - HD2   LYS+ 112   8.63 +/- 3.34  13.084% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.009%
          HB3   ASP-  44 - HD2   LYS+ 112  12.65 +/- 4.04  10.380% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HD2   LYS+ 112  17.93 +/- 3.65   1.620% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HD2   LYS+ 112  19.09 +/- 5.48   1.285% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HD2   LYS+ 112  17.34 +/- 3.84   1.645% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.64 +/- 2.39   0.697% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HD2   LYS+ 112  26.20 +/- 2.34   0.165% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  26.03 +/- 5.94   0.295% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  26.98 +/- 4.22   0.163% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  18.69 +/- 2.67   0.511% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  18.30 +/- 2.35   0.542% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  21.28 +/- 3.55   0.375% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 237.7:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.76 +/- 0.25  92.835% * 99.8441% (1.00  10.0 10.00   6.57 237.75) =  99.994%  kept
          QB    ALA   47 - HD2   LYS+ 112  11.64 +/- 3.39   4.438% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HD2   LYS+ 112  11.64 +/- 3.18   2.727% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.69 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 = 5.59, residual support = 237.7:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.55 +/- 0.19  94.356% * 99.8009% (1.00  10.0 10.00   5.59 237.75) =  99.996%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.04 +/- 3.41   3.085% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HD2   LYS+ 112  11.27 +/- 1.99   1.554% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  20.28 +/- 5.71   0.739% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.19 +/- 2.26   0.266% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.06 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 = 14.5:
    * O T QB    ASP- 113 - HA    ASP- 113   2.38 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.48) = 100.000%  kept
    Distance limit 2.92 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 = 14.5:
    * O T HA    ASP- 113 - QB    ASP- 113   2.38 +/- 0.12  95.954% * 99.1713% (1.00  10.0 10.00   2.00  14.48) =  99.991%  kept
        T HA    PHE   59 - QB    ASP- 113  11.08 +/- 1.24   1.138% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HA    ILE   56 - QB    ASP- 113   9.58 +/- 2.33   2.150% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    ASP- 113  14.75 +/- 1.09   0.437% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.33 +/- 1.56   0.169% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  25.10 +/- 4.25   0.152% *  0.0681% (0.69   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 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 = 0.866, support = 3.84, residual support = 51.6:
    * O T QB    GLU- 114 - HA    GLU- 114   2.33 +/- 0.16  44.971% * 56.5460% (0.97  10.0 10.00   3.55  43.39) =  85.425%  kept
        T QB    GLU- 114 - HA    LEU  115   4.22 +/- 0.40   8.795% * 26.0231% (0.44   1.0 10.00   5.17  20.84) =   7.689%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.64 +/- 0.19  31.578% *  5.3364% (0.09  10.0 10.00   6.32 223.81) =   5.661%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.70 +/- 0.23   3.117% * 11.5954% (0.20   1.0 10.00   4.47  20.84) =   1.214%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.45 +/- 1.12   5.372% *  0.0425% (0.73   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LYS+ 111 - HA    LEU  115   8.09 +/- 1.42   1.715% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    LEU  115  11.34 +/- 2.48   1.832% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.73 +/- 2.57   0.816% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.14 +/- 3.63   0.356% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.59 +/- 4.27   0.154% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  21.39 +/- 3.20   0.084% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  28.11 +/- 5.49   0.081% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  17.74 +/- 2.72   0.155% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  25.03 +/- 4.91   0.134% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.14 +/- 3.49   0.067% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.09 +/- 3.72   0.065% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  20.97 +/- 3.70   0.092% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.02 +/- 2.95   0.103% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  19.45 +/- 3.08   0.099% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.42 +/- 3.10   0.182% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  23.39 +/- 4.27   0.083% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  19.85 +/- 3.91   0.148% *  0.0036% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.876, support = 3.85, residual support = 38.3:
    * O T QG    GLU- 114 - HA    GLU- 114   2.93 +/- 0.42  58.594% * 68.1764% (1.00  10.0 10.00   3.54  43.39) =  77.386%  kept
        T QG    GLU- 114 - HA    LEU  115   4.35 +/- 1.26  37.201% * 31.3756% (0.46   1.0 10.00   4.93  20.84) =  22.611%  kept
          HG2   MET   92 - HA    GLU- 114  14.89 +/- 2.79   0.671% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  15.90 +/- 3.89   0.782% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  13.92 +/- 2.19   0.767% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  14.64 +/- 2.77   0.730% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  19.87 +/- 2.63   0.447% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  23.31 +/- 2.80   0.200% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  29.05 +/- 4.38   0.088% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  29.31 +/- 6.04   0.101% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  26.02 +/- 3.52   0.103% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  26.34 +/- 5.36   0.143% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  29.94 +/- 4.49   0.072% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  26.84 +/- 4.13   0.101% *  0.0107% (0.16   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.928, support = 3.75, residual support = 40.6:
    * O T HA    GLU- 114 - QB    GLU- 114   2.33 +/- 0.16  78.866% * 59.0968% (0.97  10.0 10.00   3.55  43.39) =  87.655%  kept
        T HA    LEU  115 - QB    GLU- 114   4.22 +/- 0.40  16.162% * 40.5940% (0.66   1.0 10.00   5.17  20.84) =  12.339%  kept
        T HA    ARG+  54 - QB    GLU- 114  12.49 +/- 2.44   2.451% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.005%
          HA    CYS   53 - QB    GLU- 114  11.00 +/- 2.75   1.762% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  20.65 +/- 3.47   0.212% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  20.99 +/- 4.30   0.247% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  20.37 +/- 2.42   0.146% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  23.32 +/- 4.04   0.154% *  0.0494% (0.81   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 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 = 3.92, residual support = 43.4:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.04  97.937% * 99.1187% (0.96  10.0 10.00   3.92  43.39) =  99.998%  kept
          HG2   MET   92 - QB    GLU- 114  11.52 +/- 2.45   0.932% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLU-  25 - QB    GLU- 114  25.57 +/- 4.95   0.124% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  12.86 +/- 3.49   0.741% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    GLU- 114  19.57 +/- 2.15   0.139% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  25.98 +/- 3.69   0.068% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  26.82 +/- 3.96   0.059% *  0.0339% (0.33   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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.903, support = 3.96, residual support = 36.5:
    * O T HA    GLU- 114 - QG    GLU- 114   2.93 +/- 0.42  54.914% * 59.1519% (1.00  10.0 10.00   3.54  43.39) =  69.588%  kept
        T HA    LEU  115 - QG    GLU- 114   4.35 +/- 1.26  34.934% * 40.6319% (0.69   1.0 10.00   4.93  20.84) =  30.409%  kept
          HA    CYS   53 - QG    GLU- 114  10.85 +/- 3.20   6.372% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HA    ARG+  54 - QG    GLU- 114  12.62 +/- 2.65   2.992% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QG    GLU- 114  20.40 +/- 2.77   0.228% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.96 +/- 1.83   0.189% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  20.63 +/- 3.84   0.238% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  22.96 +/- 3.48   0.134% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.949, support = 3.9, residual support = 42.5:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.04  55.792% * 90.9499% (0.96  10.0 10.00   3.92  43.39) =  97.374%  kept
          HB2   LEU  115 - QG    GLU- 114   4.43 +/- 1.44  14.791% *  4.8842% (0.20   1.0  1.00   5.24  20.84) =   1.386%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.82 +/- 1.40  22.317% *  2.8822% (0.72   1.0  1.00   0.84   0.02) =   1.234%  kept
          HG3   PRO   58 - QG    GLU- 114  12.46 +/- 2.84   5.963% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  25 - QG    GLU- 114  24.08 +/- 4.01   0.059% *  0.8915% (0.94   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLU- 114  17.74 +/- 3.83   0.561% *  0.0817% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG    GLU- 114  18.95 +/- 3.44   0.208% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  18.62 +/- 2.19   0.090% *  0.0870% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  20.63 +/- 3.03   0.072% *  0.0755% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.76 +/- 2.28   0.064% *  0.0755% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  20.28 +/- 3.10   0.083% *  0.0128% (0.14   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 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 = 0.641, support = 5.79, residual support = 185.8:
    * O T HB2   LEU  115 - HA    LEU  115   2.64 +/- 0.19  22.161% * 53.6187% (0.84  10.0 10.00   6.32 223.81) =  71.828%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.62 +/- 0.24  23.072% *  8.3585% (0.13  10.0  1.00   4.76 168.99) =  11.657%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.33 +/- 0.16  31.560% *  4.5280% (0.07  10.0 10.00   3.55  43.39) =   8.638%  kept
        T QB    GLU- 114 - HA    LEU  115   4.22 +/- 0.40   5.917% * 16.5493% (0.26   1.0 10.00   5.17  20.84) =   5.919%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.70 +/- 0.23   2.116% * 14.6704% (0.23   1.0 10.00   4.47  20.84) =   1.876%  kept
        T HB2   LEU  115 - HA    ARG+  54  11.14 +/- 1.95   0.438% *  1.8538% (0.47   1.0 10.00   0.12   0.02) =   0.049%
          HG3   PRO   58 - HA    ARG+  54   7.40 +/- 2.32   9.323% *  0.0300% (0.47   1.0  1.00   0.02   0.02) =   0.017%
        T QB    GLU- 114 - HA    ARG+  54  12.49 +/- 2.44   1.184% *  0.0928% (0.14   1.0 10.00   0.02   0.02) =   0.007%
          HG3   PRO   58 - HA    LEU  115  11.34 +/- 2.48   1.369% *  0.0535% (0.83   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   67 - HA    LEU  115  14.01 +/- 3.34   0.313% *  0.0429% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    GLU- 114  13.73 +/- 2.57   0.610% *  0.0146% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LEU  115  16.14 +/- 3.63   0.256% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  17.74 +/- 3.63   0.255% *  0.0241% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.45 +/- 2.36   0.217% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  20.48 +/- 4.47   0.238% *  0.0135% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  16.61 +/- 3.47   0.112% *  0.0282% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  18.37 +/- 4.96   0.166% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  17.74 +/- 2.72   0.096% *  0.0201% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.96 +/- 3.74   0.106% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  20.45 +/- 4.56   0.106% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.59 +/- 4.27   0.108% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.13 +/- 2.67   0.167% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.35 +/- 3.62   0.059% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  21.39 +/- 3.20   0.052% *  0.0055% (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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.45, support = 6.29, residual support = 217.1:
      O T HB3   LEU  115 - HA    LEU  115   2.33 +/- 0.18  59.952% * 19.8647% (0.26  10.0 10.00   6.50 223.81) =  54.906%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.77 +/- 0.32  16.238% * 55.8281% (0.72  10.0 10.00   6.20 223.81) =  41.794%  kept
        T HG    LEU  115 - HA    GLU- 114   6.53 +/- 0.91   3.370% * 15.2749% (0.20   1.0 10.00   3.98  20.84) =   2.373%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.38 +/- 0.26   3.171% *  5.4351% (0.07   1.0 10.00   3.82  20.84) =   0.795%  kept
        T HB3   LEU  115 - HA    ARG+  54  11.23 +/- 2.11   0.975% *  0.8045% (0.14   1.0 10.00   0.14   0.02) =   0.036%
        T HG    LEU  115 - HA    ARG+  54  10.38 +/- 2.09   1.884% *  0.3130% (0.41   1.0 10.00   0.02   0.02) =   0.027%
        T HB3   LEU   40 - HA    LEU  115  14.47 +/- 3.44   0.644% *  0.6379% (0.83   1.0 10.00   0.02   0.02) =   0.019%
        T HG    LEU   40 - HA    LEU  115  13.16 +/- 3.41   1.683% *  0.1986% (0.26   1.0 10.00   0.02   0.02) =   0.015%
        T HG    LEU   67 - HA    LEU  115  14.05 +/- 3.61   1.173% *  0.2646% (0.34   1.0 10.00   0.02   0.02) =   0.014%
          QB    ALA  120 - HA    LEU  115   7.63 +/- 0.39   1.784% *  0.0558% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   THR   26 - HA    LEU  115  18.05 +/- 3.34   0.242% *  0.2195% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - HA    ARG+  54  17.66 +/- 3.65   0.338% *  0.1484% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   40 - HA    GLU- 114  17.80 +/- 3.98   0.279% *  0.1745% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   40 - HA    ARG+  54  21.89 +/- 3.16   0.085% *  0.3577% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU- 114   8.02 +/- 0.74   1.672% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    ARG+  54  14.78 +/- 3.85   1.037% *  0.0219% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    GLU- 114  16.50 +/- 3.98   0.405% *  0.0544% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   8.78 +/- 1.43   1.425% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  20.64 +/- 2.88   0.104% *  0.1114% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LEU  115  15.31 +/- 2.47   0.290% *  0.0390% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    GLU- 114  20.92 +/- 3.83   0.149% *  0.0601% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  15.66 +/- 1.45   0.225% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  10.24 +/- 2.75   1.346% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.42 +/- 1.98   0.272% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.24 +/- 2.91   0.337% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.01 +/- 4.11   0.330% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  19.32 +/- 3.96   0.185% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  19.37 +/- 2.73   0.130% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  18.84 +/- 2.17   0.141% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.37 +/- 2.28   0.134% *  0.0049% (0.06   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 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.791, support = 6.15, residual support = 208.4:
    *   T QD1   LEU  115 - HA    LEU  115   3.66 +/- 0.68  64.469% * 75.4691% (0.84 10.00   6.32 223.81) =  92.472%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.18 +/- 0.81  17.355% * 20.6488% (0.23 10.00   4.39  20.84) =   6.811%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.05 +/- 1.69   9.941% *  3.7511% (0.47 10.00   0.18   0.02) =   0.709%  kept
          QG1   VAL   75 - HA    LEU  115  11.74 +/- 2.11   4.396% *  0.0714% (0.79  1.00   0.02   0.02) =   0.006%
          QG1   VAL   75 - HA    ARG+  54  12.21 +/- 2.12   2.555% *  0.0400% (0.44  1.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    GLU- 114  14.80 +/- 2.00   1.285% *  0.0195% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.769, support = 7.32, residual support = 210.6:
    *   T QD2   LEU  115 - HA    LEU  115   3.28 +/- 0.28  41.347% * 74.2225% (0.81 10.00   7.55 223.81) =  93.542%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.79 +/- 0.61   9.529% * 20.3077% (0.22 10.00   4.44  20.84) =   5.898%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.76 +/- 1.56   3.339% *  4.8651% (0.45 10.00   0.23   0.02) =   0.495%  kept
          QD1   LEU   63 - HA    LEU  115   7.15 +/- 2.44  12.557% *  0.0728% (0.79  1.00   0.02   0.02) =   0.028%
          QD1   LEU   73 - HA    LEU  115  13.74 +/- 3.74   5.393% *  0.0728% (0.79  1.00   0.02   0.02) =   0.012%
          QD2   LEU   63 - HA    LEU  115   7.67 +/- 2.70  10.807% *  0.0289% (0.31  1.00   0.02   0.02) =   0.010%
          QD2   LEU   80 - HA    ARG+  54  17.00 +/- 4.15   3.096% *  0.0408% (0.44  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - HA    LEU  115  11.96 +/- 2.46   1.440% *  0.0588% (0.64  1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HA    ARG+  54  10.73 +/- 2.16   1.765% *  0.0408% (0.44  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    ARG+  54  15.03 +/- 3.93   1.016% *  0.0408% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114  10.58 +/- 2.57   1.895% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  18.17 +/- 3.37   0.381% *  0.0728% (0.79  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  16.73 +/- 3.89   1.067% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLU- 114  11.07 +/- 2.91   2.578% *  0.0079% (0.09  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    ARG+  54  11.84 +/- 1.97   1.061% *  0.0162% (0.18  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    GLU- 114  13.34 +/- 2.81   0.785% *  0.0161% (0.17  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.35 +/- 3.16   0.900% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  17.28 +/- 2.70   0.379% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.24 +/- 2.30   0.199% *  0.0330% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.01 +/- 3.42   0.217% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.67 +/- 2.77   0.248% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.815, support = 6.24, residual support = 215.2:
    * O T HA    LEU  115 - HB2   LEU  115   2.64 +/- 0.19  87.545% * 67.5295% (0.84  10.0 10.00   6.32 223.81) =  95.757%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.70 +/- 0.23   9.192% * 27.5777% (0.34   1.0 10.00   4.47  20.84) =   4.106%  kept
        T HA    ARG+  54 - HB2   LEU  115  11.14 +/- 1.95   1.817% *  4.6020% (0.92   1.0 10.00   0.12   0.02) =   0.135%  kept
          HA    ASN   28 - HB2   LEU  115  21.20 +/- 4.07   0.316% *  0.0701% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  18.12 +/- 0.96   0.302% *  0.0675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  20.83 +/- 2.94   0.250% *  0.0555% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  20.68 +/- 2.74   0.313% *  0.0332% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.34 +/- 2.29   0.154% *  0.0394% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  26.54 +/- 3.23   0.111% *  0.0250% (0.31   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 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 = 0.577, support = 6.15, residual support = 223.8:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  72.850% * 25.8976% (0.31  10.0 10.00   6.19 223.81) =  51.865%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.59 +/- 0.24  24.050% * 72.7830% (0.87  10.0 10.00   6.10 223.81) =  48.120%  kept
        T HB3   LEU   40 - HB2   LEU  115  15.61 +/- 3.28   0.285% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU   40 - HB2   LEU  115  14.24 +/- 3.35   0.900% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA  120 - HB2   LEU  115   9.14 +/- 0.70   0.561% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU  115  14.43 +/- 3.41   0.557% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   LEU  115  14.70 +/- 2.66   0.174% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.87 +/- 1.23   0.345% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.24 +/- 2.14   0.170% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  18.11 +/- 3.06   0.107% *  0.0286% (0.34   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 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 223.8:
    * O T QD1   LEU  115 - HB2   LEU  115   2.43 +/- 0.31  92.837% * 99.9055% (1.00  10.0 10.00   6.12 223.81) =  99.993%  kept
          QG1   VAL   75 - HB2   LEU  115  11.04 +/- 1.94   7.163% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.007%
    Distance limit 3.35 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 = 7.31, residual support = 223.7:
    * O T QD2   LEU  115 - HB2   LEU  115   2.93 +/- 0.41  61.132% * 99.5578% (0.97  10.0 10.00   7.32 223.81) =  99.948%  kept
          QD1   LEU   63 - HB2   LEU  115   7.16 +/- 2.52  18.140% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.029%
          QD1   LEU   73 - HB2   LEU  115  13.46 +/- 3.85   8.666% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.014%
          QD2   LEU   63 - HB2   LEU  115   7.92 +/- 2.75  10.172% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU  104 - HB2   LEU  115  13.33 +/- 2.10   1.024% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  17.47 +/- 3.22   0.449% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  16.62 +/- 2.42   0.416% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.688, support = 6.0, residual support = 206.2:
    * O T HA    LEU  115 - HG    LEU  115   3.77 +/- 0.32  53.177% * 69.7478% (0.72  10.0 10.00   6.20 223.81) =  91.334%  kept
        T HA    GLU- 114 - HG    LEU  115   6.53 +/- 0.91  12.062% * 28.4836% (0.30   1.0 10.00   3.98  20.84) =   8.460%  kept
        T HA    ARG+  54 - HG    LEU  115  10.38 +/- 2.09   8.102% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.154%  kept
        T HA    LEU  115 - HG    LEU   40  13.16 +/- 3.41   5.747% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.034%
        T HA    GLU- 114 - HG    LEU   40  16.50 +/- 3.98   1.671% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   34 - HG    LEU   40   9.03 +/- 1.41   7.343% *  0.0195% (0.20   1.0  1.00   0.02   0.45) =   0.004%
        T HA    ARG+  54 - HG    LEU   40  20.64 +/- 2.88   0.443% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   28 - HG    LEU   40  14.51 +/- 2.55   2.533% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG    LEU   40  15.60 +/- 5.64   2.218% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  21.67 +/- 4.49   0.691% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  17.86 +/- 1.35   0.528% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  12.57 +/- 4.29   2.265% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG    LEU  115  21.28 +/- 3.13   0.876% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU  115  21.20 +/- 2.81   0.381% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - HG    LEU   40  13.92 +/- 1.35   1.273% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.21 +/- 2.02   0.264% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  26.93 +/- 3.06   0.177% *  0.0258% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  23.55 +/- 2.39   0.249% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.858, support = 6.07, residual support = 220.8:
    * O T HB2   LEU  115 - HG    LEU  115   2.59 +/- 0.24  63.393% * 92.0665% (0.87  10.0 10.00   6.10 223.81) =  98.521%  kept
          QB    GLU- 114 - HG    LEU  115   5.60 +/- 1.10  13.326% *  6.2998% (0.27   1.0  1.00   4.43  20.84) =   1.417%  kept
        T HB2   LEU   67 - HG    LEU   40   7.82 +/- 2.23   6.307% *  0.2504% (0.24   1.0 10.00   0.02   0.02) =   0.027%
        T HB2   LEU  115 - HG    LEU   40  14.24 +/- 3.35   2.555% *  0.3127% (0.29   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   LEU   67 - HG    LEU  115  14.33 +/- 3.64   1.064% *  0.7372% (0.69   1.0 10.00   0.02   0.02) =   0.013%
          HG3   PRO   58 - HG    LEU  115   9.15 +/- 2.07   3.092% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ARG+  54 - HG    LEU  115  11.99 +/- 2.48   1.687% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG    LEU   40   9.47 +/- 2.43   2.812% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG    LEU  115  16.59 +/- 3.80   0.800% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HG    LEU  115  16.44 +/- 3.73   0.494% *  0.0484% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.89 +/- 2.94   1.971% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.21 +/- 3.85   1.054% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  17.97 +/- 2.85   0.268% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  14.63 +/- 3.65   0.856% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  18.29 +/- 2.29   0.208% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  22.39 +/- 3.08   0.113% *  0.0087% (0.08   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 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 223.8:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.02  94.041% * 99.5358% (0.87  10.0 10.00   6.00 223.81) =  99.991%  kept
        T QD1   LEU  115 - HG    LEU   40  12.15 +/- 2.54   1.306% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   75 - HG    LEU  115  11.51 +/- 2.16   3.902% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   75 - HG    LEU   40  11.57 +/- 1.53   0.751% *  0.0320% (0.28   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 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.16, residual support = 223.7:
    * O T QD2   LEU  115 - HG    LEU  115   2.11 +/- 0.02  66.271% * 99.0740% (0.84  10.0 10.00   7.16 223.81) =  99.973%  kept
          QD1   LEU   63 - HG    LEU  115   7.20 +/- 2.25   5.770% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - HG    LEU  115   7.99 +/- 2.53  11.641% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.007%
        T QD2   LEU  115 - HG    LEU   40  11.84 +/- 2.68   0.843% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   63 - HG    LEU   40   7.71 +/- 1.90   4.717% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HG    LEU  115  13.74 +/- 3.73   1.175% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG    LEU   40   7.04 +/- 3.01   4.264% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HG    LEU   40   7.06 +/- 1.85   3.547% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40  10.50 +/- 1.47   0.750% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.88 +/- 1.85   0.295% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  17.92 +/- 3.35   0.192% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  16.94 +/- 3.61   0.188% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  17.25 +/- 2.56   0.156% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  16.80 +/- 3.64   0.193% *  0.0108% (0.09   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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.788, support = 6.05, residual support = 201.0:
    *   T HA    LEU  115 - QD1   LEU  115   3.66 +/- 0.68  66.275% * 66.1962% (0.84 10.00   6.32 223.81) =  88.896%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.18 +/- 0.81  17.812% * 27.0333% (0.34 10.00   4.39  20.84) =   9.757%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.05 +/- 1.69  10.207% *  6.4855% (0.92 10.00   0.18   0.02) =   1.341%  kept
          HA    ASN   28 - QD1   LEU  115  17.70 +/- 3.60   1.550% *  0.0687% (0.87  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD1   LEU  115  15.01 +/- 1.24   1.090% *  0.0662% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  17.52 +/- 2.22   0.930% *  0.0544% (0.69  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  17.06 +/- 2.85   1.129% *  0.0326% (0.41  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  19.48 +/- 1.91   0.598% *  0.0386% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  22.36 +/- 2.36   0.409% *  0.0245% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 221.1:
    * O T HB2   LEU  115 - QD1   LEU  115   2.43 +/- 0.31  74.776% * 90.0815% (1.00  10.0 10.00   6.12 223.81) =  98.686%  kept
          QB    GLU- 114 - QD1   LEU  115   5.15 +/- 0.73   9.535% *  7.1587% (0.31   1.0  1.00   5.15  20.84) =   1.000%  kept
          HG3   PRO   58 - QD1   LEU  115   7.14 +/- 1.90   8.313% *  2.5411% (1.00   1.0  1.00   0.57   0.02) =   0.309%  kept
          HB2   LEU   67 - QD1   LEU  115  11.55 +/- 2.70   2.298% *  0.0721% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD1   LEU  115   9.44 +/- 1.92   2.163% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  13.18 +/- 3.22   1.120% *  0.0474% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  13.49 +/- 3.05   1.307% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD1   LEU  115  14.62 +/- 2.22   0.487% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.767, support = 6.06, residual support = 223.8:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.02  58.362% * 72.7830% (0.87  10.0 10.00   6.00 223.81) =  81.999%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.58 +/- 0.40  35.978% * 25.8976% (0.31  10.0 10.00   6.30 223.81) =  17.986%  kept
        T HB3   LEU   40 - QD1   LEU  115  13.26 +/- 2.47   0.415% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU   40 - QD1   LEU  115  12.15 +/- 2.54   0.802% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU  115   7.91 +/- 0.90   1.305% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD1   LEU  115  11.66 +/- 2.53   0.557% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   LEU  115  11.57 +/- 2.55   0.674% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.64 +/- 1.98   0.741% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.57 +/- 1.05   0.888% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  14.85 +/- 2.64   0.279% *  0.0286% (0.34   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 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 = 7.32, residual support = 223.7:
    * O T QD2   LEU  115 - QD1   LEU  115   2.04 +/- 0.06  71.612% * 99.5578% (0.97  10.0 10.00   7.33 223.81) =  99.967%  kept
          QD1   LEU   63 - QD1   LEU  115   5.59 +/- 1.78  13.721% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.019%
          QD1   LEU   73 - QD1   LEU  115  11.11 +/- 3.11   7.429% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - QD1   LEU  115   6.36 +/- 1.88   5.994% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - QD1   LEU  115  14.40 +/- 2.98   0.486% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD1   LEU  115  11.87 +/- 1.41   0.444% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  13.90 +/- 2.13   0.314% *  0.0318% (0.31   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 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.767, support = 7.2, residual support = 204.0:
    *   T HA    LEU  115 - QD2   LEU  115   3.28 +/- 0.28  71.442% * 64.8555% (0.81 10.00   7.55 223.81) =  90.370%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.79 +/- 0.61  16.298% * 26.4857% (0.33 10.00   4.44  20.84) =   8.419%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.76 +/- 1.56   7.378% *  8.3796% (0.89 10.00   0.23   0.02) =   1.206%  kept
          HA    ASN   28 - QD2   LEU  115  17.94 +/- 4.06   1.554% *  0.0674% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD2   LEU  115  13.69 +/- 1.16   1.091% *  0.0649% (0.81  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  17.26 +/- 2.64   0.611% *  0.0533% (0.66  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD2   LEU  115  18.18 +/- 2.85   0.958% *  0.0319% (0.40  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD2   LEU  115  19.44 +/- 1.87   0.387% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  22.01 +/- 2.93   0.282% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.954, support = 7.25, residual support = 219.5:
    * O T HB2   LEU  115 - QD2   LEU  115   2.93 +/- 0.41  65.563% * 90.2573% (0.97  10.0 10.00   7.32 223.81) =  97.928%  kept
          QB    GLU- 114 - QD2   LEU  115   5.33 +/- 0.77  14.212% *  7.0938% (0.30   1.0  1.00   5.09  20.84) =   1.668%  kept
          HG3   PRO   58 - QD2   LEU  115   6.98 +/- 1.49   9.852% *  2.4297% (0.96   1.0  1.00   0.54   0.02) =   0.396%  kept
          HB2   LEU   67 - QD2   LEU  115  11.49 +/- 2.74   2.990% *  0.0723% (0.77   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ARG+  54 - QD2   LEU  115  10.17 +/- 1.83   3.241% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  13.17 +/- 2.71   1.768% *  0.0405% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  13.18 +/- 3.02   1.226% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD2   LEU  115  14.61 +/- 2.79   1.148% *  0.0339% (0.36   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 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 = 0.742, support = 7.2, residual support = 223.3:
    * O T HG    LEU  115 - QD2   LEU  115   2.11 +/- 0.02  57.788% * 69.6050% (0.84  10.0 10.00   7.16 223.81) =  82.108%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.60 +/- 0.40  34.946% * 24.7668% (0.30  10.0 10.00   7.47 223.81) =  17.667%  kept
          QB    ALA  120 - QD2   LEU  115   6.62 +/- 0.78   2.337% *  4.4360% (0.84   1.0  1.00   1.27   0.02) =   0.212%  kept
        T HB3   LEU   40 - QD2   LEU  115  12.92 +/- 2.82   0.461% *  0.7953% (0.96   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU   40 - QD2   LEU  115  11.84 +/- 2.68   0.748% *  0.2477% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   67 - QD2   LEU  115  11.54 +/- 2.71   0.864% *  0.0330% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU  115  12.09 +/- 2.56   0.547% *  0.0487% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU  115  11.48 +/- 1.82   0.885% *  0.0223% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.70 +/- 0.98   0.922% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  14.90 +/- 3.35   0.502% *  0.0274% (0.33   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 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.33, residual support = 223.8:
    * O T QD1   LEU  115 - QD2   LEU  115   2.04 +/- 0.06  97.683% * 99.9055% (0.97  10.0 10.00   7.33 223.81) =  99.998%  kept
          QG1   VAL   75 - QD2   LEU  115   9.82 +/- 1.68   2.317% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.56 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 = 5.26, residual support = 120.5:
    * O T HB2   GLN  116 - HA    GLN  116   2.78 +/- 0.13  92.992% * 98.6426% (1.00  10.0 10.00   5.26 120.50) =  99.993%  kept
          HB2   PRO   58 - HA    GLN  116   8.84 +/- 1.76   4.732% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    GLN  116  23.55 +/- 2.24   0.169% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  13.23 +/- 2.69   1.299% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  24.05 +/- 3.74   0.241% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN  116  20.83 +/- 3.07   0.566% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.17, residual support = 120.4:
    * O T HG2   GLN  116 - HA    GLN  116   2.61 +/- 0.54  96.670% * 97.4380% (1.00  10.0 10.00   5.17 120.50) =  99.923%  kept
          HB3   PHE   95 - HA    GLN  116   9.48 +/- 1.72   2.857% *  2.5349% (0.99   1.0  1.00   0.52   0.02) =   0.077%
          HG2   GLU-  25 - HA    GLN  116  27.19 +/- 6.63   0.473% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 120.5:
    * O T HA    GLN  116 - HB2   GLN  116   2.78 +/- 0.13  97.515% * 98.1197% (1.00  10.0 10.00   5.26 120.50) =  99.996%  kept
        T HA    GLU-  29 - HB2   GLN  116  27.33 +/- 4.77   0.209% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HB2   GLN  116  27.29 +/- 3.64   0.134% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  18.05 +/- 3.75   0.603% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLN  116  19.14 +/- 3.07   0.404% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  20.28 +/- 2.84   0.571% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  24.41 +/- 3.15   0.173% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  28.71 +/- 3.16   0.125% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  21.84 +/- 4.06   0.266% *  0.0194% (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 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 = 5.7, residual support = 120.5:
    * O T HG2   GLN  116 - HB2   GLN  116   2.65 +/- 0.24  97.643% * 99.8732% (1.00  10.0 10.00   5.70 120.50) =  99.998%  kept
          HB3   PHE   95 - HB2   GLN  116  10.57 +/- 1.41   2.015% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HB2   GLN  116  28.54 +/- 6.72   0.341% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 120.5:
    * O T HA    GLN  116 - HG2   GLN  116   2.61 +/- 0.54  97.643% * 99.5202% (1.00  10.0 10.00   5.17 120.50) =  99.998%  kept
          HA    VAL   70 - HG2   GLN  116  17.33 +/- 3.52   0.749% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  18.44 +/- 3.46   0.384% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  26.98 +/- 5.15   0.171% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  26.79 +/- 3.82   0.133% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  23.81 +/- 3.15   0.211% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  20.65 +/- 2.89   0.303% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  28.92 +/- 3.42   0.107% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  20.94 +/- 4.05   0.301% *  0.0197% (0.20   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 120.5:
    * O T HB2   GLN  116 - HG2   GLN  116   2.65 +/- 0.24  94.076% * 99.6852% (1.00  10.0 10.00   5.70 120.50) =  99.996%  kept
          HB2   PRO   58 - HG2   GLN  116   9.06 +/- 2.01   4.442% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   GLN  116  14.80 +/- 2.34   0.816% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG2   GLN  116  21.80 +/- 3.45   0.362% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.12 +/- 2.19   0.133% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  25.33 +/- 3.91   0.171% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.11 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   2.43 +/- 0.11  87.730% * 93.1190% (1.00  10.0 10.00   1.27  15.40) =  99.652%  kept
          HA    ALA  120 - HA    SER  117   5.90 +/- 0.44   6.649% *  2.8712% (0.41   1.0  1.00   1.50   5.31) =   0.233%  kept
          HA    LYS+ 121 - HA    SER  117   7.23 +/- 0.94   3.978% *  2.2866% (0.84   1.0  1.00   0.59   0.02) =   0.111%  kept
        T HA2   GLY   51 - HA    SER  117  20.89 +/- 2.79   0.182% *  0.8351% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HA    SER  117  22.62 +/- 2.36   0.142% *  0.6024% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HA    SER  117  12.59 +/- 1.36   0.748% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER  117  16.84 +/- 1.38   0.295% *  0.0712% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  26.95 +/- 2.42   0.071% *  0.1437% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  22.05 +/- 4.64   0.204% *  0.0144% (0.15   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 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   2.43 +/- 0.11  92.813% * 99.1287% (1.00  10.0 10.00   1.27  15.40) =  99.996%  kept
        T HA1   GLY   51 - QB    SER   48   8.80 +/- 0.68   2.247% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  18.53 +/- 2.73   0.317% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   26 - QB    SER  117  22.64 +/- 5.47   0.523% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  22.62 +/- 2.36   0.151% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.75 +/- 1.55   0.653% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.91 +/- 1.15   0.681% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  26.95 +/- 2.42   0.075% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.52 +/- 3.61   0.397% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.63 +/- 2.44   0.822% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  19.24 +/- 4.30   0.342% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  17.52 +/- 3.16   0.426% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  20.85 +/- 5.97   0.270% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  23.23 +/- 1.80   0.115% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.79 +/- 2.70   0.168% *  0.0057% (0.06   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 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 = 6.96, residual support = 267.9:
    * O T HB    ILE  119 - HA    ILE  119   2.97 +/- 0.05  88.037% * 99.2403% (0.87  10.0 10.00   6.96 267.92) =  99.989%  kept
          HG3   GLN   30 - HA    ILE  119  19.07 +/- 4.49   2.880% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - HA    ILE  119  18.33 +/- 3.85   1.810% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HA    ILE  119  13.82 +/- 3.44   1.784% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HA    ILE  119  13.56 +/- 1.35   1.031% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  15.82 +/- 2.76   0.727% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  16.52 +/- 1.68   0.564% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  21.51 +/- 4.74   0.326% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.35 +/- 3.25   0.690% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.93 +/- 3.45   0.688% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  13.76 +/- 1.42   0.984% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  25.69 +/- 5.33   0.478% *  0.0285% (0.25   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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 267.9:
    * O T QG2   ILE  119 - HA    ILE  119   2.60 +/- 0.24  74.766% * 99.7168% (1.00  10.0 10.00   6.94 267.92) =  99.979%  kept
          QD2   LEU   71 - HA    ILE  119  12.29 +/- 4.12  15.103% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.018%
          QD1   ILE  103 - HA    ILE  119  14.77 +/- 3.76   1.062% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  119  10.33 +/- 3.20   4.979% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119  10.25 +/- 3.42   2.328% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  13.68 +/- 4.14   1.247% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  15.17 +/- 3.13   0.517% *  0.0374% (0.38   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 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.99, residual support = 267.9:
    * O T HG12  ILE  119 - HA    ILE  119   2.71 +/- 0.45  85.730% * 99.4466% (1.00  10.0 10.00   6.99 267.92) =  99.991%  kept
          HB3   PHE   72 - HA    ILE  119  13.54 +/- 3.47   4.920% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP- 105 - HA    ILE  119  12.10 +/- 5.13   3.833% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    ILE  119  11.41 +/- 1.63   1.434% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    ILE  119  18.37 +/- 4.12   1.131% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ILE  119  23.49 +/- 4.99   0.659% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ILE  119  18.41 +/- 1.75   0.438% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  17.31 +/- 2.65   0.548% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  22.57 +/- 1.29   0.208% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  19.79 +/- 2.54   0.796% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  24.57 +/- 4.66   0.302% *  0.0153% (0.15   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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 6.98, residual support = 267.0:
    * O T HG13  ILE  119 - HA    ILE  119   2.71 +/- 0.43  80.336% * 94.8825% (1.00  10.0 10.00   7.00 267.92) =  99.649%  kept
          HG2   LYS+ 121 - HA    ILE  119   7.13 +/- 0.30   5.473% *  4.8394% (0.31   1.0  1.00   3.31   7.26) =   0.346%  kept
          QG1   VAL  107 - HA    ILE  119   8.27 +/- 3.14   6.755% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    ILE  119  12.21 +/- 2.47   1.818% *  0.0499% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HA    ILE  119   8.85 +/- 2.30   3.813% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  15.45 +/- 3.10   0.811% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  19.77 +/- 4.11   0.358% *  0.0947% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  19.81 +/- 4.48   0.637% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.15, residual support = 267.9:
    *   T QD1   ILE  119 - HA    ILE  119   3.56 +/- 0.45  92.298% * 99.2846% (0.97 10.00   6.15 267.92) =  99.986%  kept
        T HB    VAL   75 - HA    ILE  119  15.26 +/- 2.03   1.534% *  0.5824% (0.57 10.00   0.02   0.02) =   0.010%
          HB2   LEU  104 - HA    ILE  119  13.91 +/- 4.89   3.855% *  0.0747% (0.73  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - HA    ILE  119  13.52 +/- 2.34   2.314% *  0.0582% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 6.82, residual support = 241.7:
    * O T HA    ILE  119 - HB    ILE  119   2.97 +/- 0.05  85.510% * 50.8167% (0.87  10.0 10.00   6.96 267.92) =  87.402%  kept
        T HA    THR  118 - HB    ILE  119   5.61 +/- 0.23  12.770% * 49.0416% (0.84   1.0 10.00   5.79  60.12) =  12.597%  kept
          HA2   GLY  109 - HB    ILE  119  14.99 +/- 1.76   0.765% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  21.87 +/- 2.24   0.242% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  23.58 +/- 2.75   0.233% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  18.33 +/- 2.17   0.480% *  0.0089% (0.15   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 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 = 6.65, residual support = 267.9:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  94.201% * 99.7168% (0.87  10.0 10.00   6.65 267.92) =  99.997%  kept
          QD2   LEU   71 - HB    ILE  119  14.02 +/- 4.00   2.352% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB    ILE  119  15.98 +/- 3.05   0.336% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  12.01 +/- 3.08   1.359% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  12.00 +/- 3.02   0.983% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  16.33 +/- 3.55   0.341% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  14.75 +/- 3.29   0.428% *  0.0277% (0.24   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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 267.9:
    * O T HG12  ILE  119 - HB    ILE  119   2.56 +/- 0.23  93.767% * 99.4466% (0.87  10.0 10.00   6.31 267.92) =  99.996%  kept
          HB3   PHE   72 - HB    ILE  119  15.28 +/- 3.42   1.652% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB    ILE  119  12.48 +/- 1.51   0.974% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  12.90 +/- 4.29   1.508% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  25.09 +/- 5.31   0.400% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  19.80 +/- 4.53   0.454% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.99 +/- 2.05   0.314% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.87 +/- 2.95   0.319% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.63 +/- 1.63   0.148% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  20.68 +/- 3.04   0.297% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  25.97 +/- 5.07   0.167% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.862, support = 6.56, residual support = 266.0:
    * O T HG13  ILE  119 - HB    ILE  119   2.86 +/- 0.27  77.552% * 92.7732% (0.87  10.0 10.00   6.60 267.92) =  99.272%  kept
        T QG1   VAL  107 - HB    ILE  119   8.31 +/- 2.85   7.582% *  6.8118% (0.13   1.0 10.00   0.95   0.02) =   0.713%  kept
        T QG2   VAL  107 - HB    ILE  119   8.62 +/- 2.02   4.596% *  0.1431% (0.13   1.0 10.00   0.02   0.02) =   0.009%
          HD3   LYS+ 112 - HB    ILE  119  10.40 +/- 2.74   3.838% *  0.0488% (0.46   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HB    ILE  119   8.77 +/- 0.40   2.956% *  0.0286% (0.27   1.0  1.00   0.02   7.26) =   0.001%
          QB    ALA   20 - HB    ILE  119  16.35 +/- 3.81   1.291% *  0.0637% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    ILE  119  20.61 +/- 4.96   1.816% *  0.0381% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    ILE  119  21.54 +/- 3.73   0.368% *  0.0926% (0.87   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.83, residual support = 267.9:
    * O T QD1   ILE  119 - HB    ILE  119   2.44 +/- 0.28  98.057% * 99.2846% (0.84  10.0 10.00   5.83 267.92) =  99.995%  kept
        T QG2   VAL  108 - HB    ILE  119  13.58 +/- 1.89   0.769% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - HB    ILE  119  15.44 +/- 3.85   0.665% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  16.52 +/- 2.03   0.509% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.88, residual support = 250.5:
    * O T HA    ILE  119 - QG2   ILE  119   2.60 +/- 0.24  89.772% * 50.8167% (1.00  10.0 10.00   6.94 267.92) =  91.613%  kept
        T HA    THR  118 - QG2   ILE  119   5.90 +/- 0.16   8.515% * 49.0416% (0.97   1.0 10.00   6.14  60.12) =   8.386%  kept
          HA2   GLY  109 - QG2   ILE  119  14.06 +/- 1.54   0.702% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   ILE  119  18.85 +/- 1.99   0.265% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  20.41 +/- 2.53   0.234% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  15.53 +/- 2.20   0.513% *  0.0089% (0.18   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 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.65, residual support = 267.9:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  92.228% * 99.2403% (0.87  10.0 10.00   6.65 267.92) =  99.993%  kept
          HG3   GLN   30 - QG2   ILE  119  17.02 +/- 4.22   2.250% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - QG2   ILE  119  16.57 +/- 3.46   1.072% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE  119  12.25 +/- 3.25   0.852% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QG2   ILE  119  11.73 +/- 0.85   0.572% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  14.53 +/- 3.66   0.541% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.52 +/- 1.37   0.392% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.62 +/- 1.60   0.313% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  15.02 +/- 3.18   0.486% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.37 +/- 1.41   0.552% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  22.29 +/- 5.37   0.593% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  19.68 +/- 3.53   0.149% *  0.1056% (0.92   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 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 = 6.36, residual support = 267.9:
    * O T HG12  ILE  119 - QG2   ILE  119   3.10 +/- 0.24  75.523% * 99.4466% (1.00  10.0 10.00   6.36 267.92) =  99.979%  kept
          HB3   PHE   72 - QG2   ILE  119  12.64 +/- 2.89  10.701% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.011%
          HB2   GLU-  29 - QG2   ILE  119  20.63 +/- 4.94   3.317% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - QG2   ILE  119  10.82 +/- 1.33   2.119% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QG2   ILE  119  15.82 +/- 4.02   1.612% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QG2   ILE  119  11.92 +/- 3.56   2.914% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  14.95 +/- 2.64   1.101% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QG2   ILE  119  16.24 +/- 1.85   0.638% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   ILE  119  19.74 +/- 1.49   0.331% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  17.52 +/- 2.93   1.229% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  20.92 +/- 4.51   0.514% *  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 = 6.39, residual support = 267.9:
    * O T HG13  ILE  119 - QG2   ILE  119   2.58 +/- 0.32  78.653% * 99.6771% (1.00  10.0 10.00   6.39 267.92) =  99.989%  kept
          HD3   LYS+ 112 - QG2   ILE  119   9.81 +/- 2.68   6.703% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - QG2   ILE  119  13.34 +/- 3.47   2.160% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG2   ILE  119   7.71 +/- 0.26   3.459% *  0.0308% (0.31   1.0  1.00   0.02   7.26) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  17.36 +/- 4.26   2.152% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QG2   ILE  119   8.20 +/- 2.07   3.673% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  17.99 +/- 3.19   0.528% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   8.55 +/- 1.44   2.672% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 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 = 5.86, residual support = 267.9:
    *   T QD1   ILE  119 - QG2   ILE  119   1.99 +/- 0.21  98.515% * 99.8078% (0.97 10.00   5.86 267.92) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  13.53 +/- 3.40   0.609% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  12.57 +/- 1.36   0.471% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  14.07 +/- 1.98   0.404% *  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 = 6.98, residual support = 243.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.71 +/- 0.45  85.450% * 50.8167% (1.00  10.0 10.00   6.99 267.92) =  88.104%  kept
        T HA    THR  118 - HG12  ILE  119   5.77 +/- 0.29  11.953% * 49.0416% (0.97   1.0 10.00   6.88  60.12) =  11.894%  kept
          HA2   GLY  109 - HG12  ILE  119  13.97 +/- 1.66   0.862% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG12  ILE  119  21.68 +/- 2.50   0.406% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  20.20 +/- 2.02   0.300% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.28 +/- 1.92   1.029% *  0.0089% (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 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 267.9:
    * O T HB    ILE  119 - HG12  ILE  119   2.56 +/- 0.23  93.328% * 98.6651% (0.87  10.0 10.00   6.31 267.92) =  99.991%  kept
        T HB2   ARG+  54 - HG12  ILE  119  14.38 +/- 1.45   0.626% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   68 - HG12  ILE  119  14.86 +/- 2.85   0.908% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  19.41 +/- 4.00   0.601% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  11.68 +/- 1.18   1.105% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG12  ILE  119  18.69 +/- 3.28   0.465% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  14.54 +/- 2.04   0.602% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  11.75 +/- 1.53   1.198% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.42 +/- 3.11   0.390% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.52 +/- 3.54   0.167% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  18.20 +/- 2.87   0.337% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.39 +/- 5.21   0.272% *  0.0284% (0.25   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 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.36, residual support = 267.9:
    * O T QG2   ILE  119 - HG12  ILE  119   3.10 +/- 0.24  80.395% * 99.7168% (1.00  10.0 10.00   6.36 267.92) =  99.989%  kept
          QD2   LEU   71 - HG12  ILE  119  12.88 +/- 3.70   6.165% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   67 - HG12  ILE  119  10.51 +/- 2.89   6.293% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HG12  ILE  119  14.78 +/- 2.86   1.202% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  11.05 +/- 2.75   3.018% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  14.40 +/- 3.12   1.365% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  13.77 +/- 3.09   1.563% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.10 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 = 6.36, residual support = 267.9:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  92.598% * 99.6771% (1.00  10.0 10.00   6.36 267.92) =  99.998%  kept
          HD3   LYS+ 112 - HG12  ILE  119   9.91 +/- 2.73   1.213% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HG12  ILE  119   7.43 +/- 2.53   2.771% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   7.58 +/- 1.86   1.852% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.23 +/- 4.58   0.499% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.19 +/- 0.50   0.663% *  0.0308% (0.31   1.0  1.00   0.02   7.26) =   0.000%
          QB    ALA   20 - HG12  ILE  119  15.20 +/- 3.15   0.293% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.05 +/- 3.54   0.111% *  0.0995% (1.00   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.63, residual support = 267.9:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.02  98.420% * 99.8078% (0.97  10.0 10.00   5.63 267.92) =  99.999%  kept
          HB2   LEU  104 - HG12  ILE  119  14.60 +/- 3.57   0.516% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG12  ILE  119  12.47 +/- 1.75   0.595% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  14.41 +/- 1.92   0.470% *  0.0586% (0.57   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 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.92, residual support = 246.3:
    * O T HA    ILE  119 - HG13  ILE  119   2.71 +/- 0.43  87.223% * 50.8167% (1.00  10.0 10.00   7.00 267.92) =  89.605%  kept
        T HA    THR  118 - HG13  ILE  119   6.38 +/- 0.78  10.483% * 49.0416% (0.97   1.0 10.00   6.23  60.12) =  10.393%  kept
          HA2   GLY  109 - HG13  ILE  119  15.02 +/- 1.82   0.995% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  20.43 +/- 2.21   0.264% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  22.13 +/- 2.57   0.254% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  16.25 +/- 2.27   0.781% *  0.0089% (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 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 267.9:
    * O T HB    ILE  119 - HG13  ILE  119   2.86 +/- 0.27  89.459% * 99.2403% (0.87  10.0 10.00   6.60 267.92) =  99.991%  kept
          HG3   GLN   30 - HG13  ILE  119  18.89 +/- 4.27   1.805% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG13  ILE  119  18.23 +/- 3.53   1.334% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG13  ILE  119  14.24 +/- 2.96   1.159% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.65 +/- 1.42   1.108% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  14.61 +/- 1.33   0.796% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  15.51 +/- 1.73   0.671% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  12.37 +/- 1.66   1.486% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG13  ILE  119  16.74 +/- 3.32   0.734% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.36 +/- 3.39   0.252% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  17.53 +/- 2.99   0.560% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.07 +/- 5.43   0.636% *  0.0285% (0.25   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 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.39, residual support = 267.9:
    * O T QG2   ILE  119 - HG13  ILE  119   2.58 +/- 0.32  88.005% * 99.7168% (1.00  10.0 10.00   6.39 267.92) =  99.995%  kept
          QD2   LEU   71 - HG13  ILE  119  12.52 +/- 3.60   2.637% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HG13  ILE  119  10.84 +/- 2.78   3.626% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG13  ILE  119  10.21 +/- 2.86   3.199% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG13  ILE  119  15.16 +/- 2.47   0.594% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  119  14.16 +/- 3.54   1.182% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG13  ILE  119  14.22 +/- 2.75   0.756% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.36, residual support = 267.9:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  94.413% * 99.4466% (1.00  10.0 10.00   6.36 267.92) =  99.996%  kept
          HB3   PHE   72 - HG13  ILE  119  13.10 +/- 3.45   3.644% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HG13  ILE  119  10.38 +/- 1.61   0.564% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  12.86 +/- 3.50   0.503% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  23.28 +/- 4.93   0.184% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  18.37 +/- 4.03   0.174% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.24 +/- 2.11   0.119% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  17.44 +/- 2.41   0.120% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  21.63 +/- 1.54   0.054% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  18.72 +/- 2.91   0.160% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  24.51 +/- 4.80   0.066% *  0.0153% (0.15   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 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 = 5.69, residual support = 267.9:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.02  98.470% * 99.8078% (0.97  10.0 10.00   5.69 267.92) =  99.999%  kept
          HB2   LEU  104 - HG13  ILE  119  14.85 +/- 3.31   0.527% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.43 +/- 2.18   0.533% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  13.26 +/- 1.47   0.471% *  0.0586% (0.57   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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.13, residual support = 257.9:
    *   T HA    ILE  119 - QD1   ILE  119   3.56 +/- 0.45  78.034% * 78.1087% (0.97 10.00   6.15 267.92) =  95.198%  kept
          HA    THR  118 - QD1   ILE  119   6.38 +/- 0.46  14.235% * 21.5503% (0.93  1.00   5.72  60.12) =   4.791%  kept
        T HA    VAL   75 - QD1   ILE  119  13.99 +/- 2.23   2.569% *  0.1368% (0.17 10.00   0.02   0.02) =   0.005%
          HA2   GLY  109 - QD1   ILE  119  12.13 +/- 1.55   3.107% *  0.0567% (0.70  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD1   ILE  119  16.45 +/- 1.94   1.014% *  0.0774% (0.96  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QD1   ILE  119  18.42 +/- 2.61   1.041% *  0.0701% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 5.83, residual support = 267.9:
    * O T HB    ILE  119 - QD1   ILE  119   2.44 +/- 0.28  88.858% * 98.5836% (0.84  10.0 10.00   5.83 267.92) =  99.986%  kept
        T HB    VAL  108 - QD1   ILE  119  12.99 +/- 1.32   0.741% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.006%
          HG3   GLN   30 - QD1   ILE  119  16.67 +/- 3.68   1.145% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE  119  12.76 +/- 2.51   0.987% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD1   ILE  119  16.18 +/- 2.99   0.877% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.02 +/- 0.78   1.483% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - QD1   ILE  119   9.97 +/- 1.44   2.154% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QD1   ILE  119  11.23 +/- 1.49   1.026% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE  119  14.53 +/- 3.22   0.821% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  15.44 +/- 2.61   0.669% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.91 +/- 2.70   0.295% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.39 +/- 4.95   0.944% *  0.0283% (0.24   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 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 267.9:
    *   T QG2   ILE  119 - QD1   ILE  119   1.99 +/- 0.21  82.454% * 99.7168% (0.97 10.00   5.86 267.92) =  99.987%  kept
          QD2   LEU   71 - QD1   ILE  119  11.26 +/- 3.23  10.723% *  0.0865% (0.84  1.00   0.02   0.02) =   0.011%
          QD1   LEU   67 - QD1   ILE  119   9.36 +/- 2.47   3.286% *  0.0197% (0.19  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   ILE  119  13.29 +/- 2.07   0.389% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.13 +/- 2.14   1.875% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.20 +/- 3.18   0.753% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  12.52 +/- 2.16   0.520% *  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 = 5.63, residual support = 267.9:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  85.200% * 99.4466% (0.97  10.0 10.00   5.63 267.92) =  99.988%  kept
          HB3   PHE   72 - QD1   ILE  119  11.89 +/- 2.91   9.458% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.008%
          HB2   ASP-  44 - QD1   ILE  119   9.06 +/- 1.50   1.474% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD1   ILE  119  20.26 +/- 4.37   0.551% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119  11.44 +/- 2.85   1.206% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  15.96 +/- 3.61   0.408% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.97 +/- 1.89   0.394% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  15.36 +/- 2.15   0.293% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.79 +/- 1.55   0.168% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  15.81 +/- 2.88   0.678% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  21.03 +/- 4.28   0.169% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 267.9:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  79.396% * 99.6771% (0.97  10.0 10.00   5.69 267.92) =  99.990%  kept
          HD3   LYS+ 112 - QD1   ILE  119   7.74 +/- 2.50   8.621% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   24 - QD1   ILE  119  16.24 +/- 4.18   3.037% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QD1   ILE  119  12.69 +/- 3.23   1.228% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QD1   ILE  119   7.11 +/- 1.67   3.461% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   7.08 +/- 1.27   2.894% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   9.14 +/- 0.51   1.083% *  0.0308% (0.30   1.0  1.00   0.02   7.26) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.44 +/- 2.93   0.279% *  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 = 0.94, support = 2.29, residual support = 13.3:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.01  89.099% * 85.5096% (0.95  10.0 10.00   2.28  13.40) =  99.270%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.41 +/- 0.88   3.992% * 13.9474% (0.15   1.0 10.00   4.42   2.58) =   0.726%  kept
          QG2   THR   26 - HA    ALA  120  19.84 +/- 5.16   3.233% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    ALA  120  10.94 +/- 1.22   0.767% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  16.06 +/- 2.37   0.281% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  14.96 +/- 4.32   0.469% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    ALA  120  10.70 +/- 0.77   0.742% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  15.43 +/- 4.21   0.555% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  14.06 +/- 4.22   0.705% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  19.32 +/- 2.89   0.157% *  0.0440% (0.49   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 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.939, support = 2.32, residual support = 13.1:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.01  77.458% * 84.1045% (0.95  10.0 10.00   2.28  13.40) =  97.150%  kept
          HA    LYS+ 121 - QB    ALA  120   3.86 +/- 0.05  13.046% * 13.2130% (0.72   1.0  1.00   4.11   2.58) =   2.571%  kept
          QB    SER  117 - QB    ALA  120   4.65 +/- 0.45   8.270% *  2.2554% (0.39   1.0  1.00   1.30   5.31) =   0.278%  kept
          HA2   GLY   16 - QB    ALA  120  17.01 +/- 4.50   0.346% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA  120  14.73 +/- 1.61   0.267% *  0.0643% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  16.14 +/- 1.10   0.188% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  20.61 +/- 2.03   0.109% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.54 +/- 2.22   0.125% *  0.0578% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  24.08 +/- 2.41   0.065% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.87 +/- 1.86   0.127% *  0.0166% (0.19   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 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 = 0.924, support = 7.85, residual support = 291.0:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.07  45.009% * 71.2999% (1.00  10.0 10.00   8.30 312.99) =  90.595%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.38 +/- 0.47   7.763% * 22.0065% (0.31   1.0 10.00   2.28   4.39) =   4.823%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.28 +/- 0.59  36.087% *  4.4652% (0.06   1.0 10.00   4.75 158.63) =   4.549%  kept
        T QD    LYS+  38 - HA    LYS+ 121  17.79 +/- 5.83   0.897% *  0.6394% (0.90   1.0 10.00   0.02   0.02) =   0.016%
        T QD    LYS+  65 - HA    LYS+ 121  15.65 +/- 2.71   0.436% *  0.7114% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 102 - HA    LYS+ 121  19.04 +/- 6.51   0.409% *  0.3751% (0.53   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.94 +/- 2.83   0.239% *  0.1982% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+  65  16.69 +/- 3.85   0.542% *  0.0401% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  15.13 +/- 2.16   0.441% *  0.0448% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  65   8.41 +/- 2.41   3.746% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  15.21 +/- 1.63   0.389% *  0.0220% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.56 +/- 2.39   0.181% *  0.0432% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  27.41 +/- 4.01   0.065% *  0.0699% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  16.98 +/- 2.49   0.322% *  0.0138% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  20.97 +/- 3.66   0.181% *  0.0235% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.40 +/- 1.61   0.171% *  0.0243% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.87 +/- 2.00   1.914% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  16.94 +/- 3.14   0.935% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  22.96 +/- 2.57   0.111% *  0.0124% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.75 +/- 2.28   0.164% *  0.0044% (0.06   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 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.0:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.78 +/- 0.62  79.195% * 99.6412% (1.00  10.0 10.00   7.34 312.99) =  99.992%  kept
          QG2   VAL  107 - HA    LYS+ 121  11.47 +/- 2.63   2.530% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HA    LYS+ 121  17.88 +/- 6.22   3.578% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HA    LYS+ 121   8.69 +/- 0.36   3.362% *  0.0308% (0.31   1.0  1.00   0.02   7.26) =   0.001%
          QB    ALA   20 - HA    LYS+ 121  18.51 +/- 3.39   0.670% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HA    LYS+  65  16.99 +/- 2.47   0.573% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  10.45 +/- 3.36   4.004% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  21.66 +/- 5.16   0.442% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  16.75 +/- 3.77   2.746% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.29 +/- 1.37   0.822% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  12.22 +/- 1.33   1.391% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  18.64 +/- 3.15   0.686% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.71, residual support = 311.5:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.57  76.099% * 95.1450% (1.00  10.0 10.00   6.73 312.99) =  99.533%  kept
          QD2   LEU  123 - HA    LYS+ 121   6.94 +/- 0.61   7.660% *  4.3636% (0.49   1.0  1.00   1.88   4.39) =   0.460%  kept
        T QD2   LEU   73 - HA    LYS+ 121  16.39 +/- 3.00   0.782% *  0.3245% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU   73 - HA    LYS+  65   9.03 +/- 1.89   5.617% *  0.0204% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HA    LYS+  65  16.92 +/- 3.02   1.519% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    LYS+ 121  12.83 +/- 0.83   1.225% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    LYS+ 121  21.82 +/- 5.35   0.770% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.27 +/- 1.62   1.652% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  14.20 +/- 3.13   1.974% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  16.25 +/- 3.87   2.702% *  0.0013% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.722, support = 7.71, residual support = 302.9:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.47 +/- 0.63  20.993% * 69.2258% (1.00   1.0 10.00   7.67 312.99) =  61.926%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.65 +/- 0.19  35.150% * 21.3664% (0.31  10.0 10.00   8.22 312.99) =  32.003%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.06 +/- 0.76  29.936% *  4.3065% (0.06  10.0 10.00   5.38 158.63) =   5.493%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.30 +/- 0.97   3.766% *  3.4792% (0.05   1.0 10.00   5.53  30.94) =   0.558%  kept
        T QD    LYS+  66 - HA    LYS+ 121  13.52 +/- 3.64   0.398% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  65 - HA    LYS+ 121  17.08 +/- 2.57   0.192% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HD3   LYS+  74 - HA    LYS+  65   8.59 +/- 2.97   3.413% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  20.00 +/- 4.42   0.363% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  19.78 +/- 2.92   0.101% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  14.59 +/- 7.24   0.584% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HA    LYS+  65  16.14 +/- 2.67   0.219% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  13.69 +/- 4.87   0.595% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  19.77 +/- 2.28   0.095% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.89 +/- 1.95   1.282% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.66 +/- 2.25   0.223% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.11 +/- 2.08   0.177% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.29 +/- 2.06   0.386% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  11.93 +/- 2.69   1.858% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.83 +/- 3.63   0.186% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.53 +/- 2.11   0.082% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.962, support = 6.72, residual support = 254.3:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.66 +/- 1.05  58.132% * 54.1007% (1.00   6.70 312.99) =  77.309%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.89 +/- 0.23  20.200% * 45.6595% (0.84   6.77  54.55) =  22.672%  kept
          HB3   ASN   28 - HA    LYS+ 121  25.97 +/- 6.35   7.876% *  0.0724% (0.45   0.02   0.02) =   0.014%
          HG2   GLN   30 - HA    LYS+ 121  21.76 +/- 5.02   0.673% *  0.1109% (0.69   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HA    LYS+  65  15.51 +/- 3.22   4.945% *  0.0101% (0.06   0.02   0.02) =   0.001%
          HG2   GLN   30 - HA    LYS+  65  14.53 +/- 2.77   3.309% *  0.0070% (0.04   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+ 121  26.05 +/- 3.41   0.701% *  0.0249% (0.15   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    LYS+  65  13.08 +/- 2.18   1.918% *  0.0085% (0.05   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.95 +/- 3.58   0.806% *  0.0045% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  17.13 +/- 3.00   1.441% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 303.8:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.95 +/- 0.07  76.177% * 81.8737% (1.00  10.0 10.00   8.30 312.99) =  97.051%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.70 +/- 0.25  10.808% * 17.4488% (0.76   1.0  1.00   5.58   2.58) =   2.934%  kept
          QB    SER  117 - HB2   LYS+ 121   6.53 +/- 1.09   8.653% *  0.0684% (0.84   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HB2   LYS+ 121  15.13 +/- 2.16   0.808% *  0.2793% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR   94 - HB2   LYS+ 121  16.68 +/- 2.64   0.532% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.65 +/- 1.64   1.595% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   LYS+ 121  18.47 +/- 5.31   0.920% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  22.57 +/- 2.37   0.207% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  22.89 +/- 1.64   0.175% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  26.31 +/- 3.06   0.127% *  0.0337% (0.41   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 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.0:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.78 +/- 0.22  84.171% * 99.7211% (1.00  10.0 10.00   7.75 312.99) =  99.990%  kept
          QG2   VAL  107 - HB2   LYS+ 121   9.60 +/- 2.97   3.570% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB2   LYS+ 121  16.03 +/- 6.15   4.999% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HB2   LYS+ 121   7.04 +/- 0.54   5.864% *  0.0308% (0.31   1.0  1.00   0.02   7.26) =   0.002%
          QB    ALA   20 - HB2   LYS+ 121  17.08 +/- 2.94   0.523% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.06 +/- 5.09   0.873% *  0.0277% (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 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 7.11, residual support = 309.7:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.82 +/- 0.25  90.324% * 81.7446% (1.00  10.0 10.00   7.18 312.99) =  98.949%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.97 +/- 0.26   4.346% * 17.9088% (0.49   1.0 10.00   0.90   4.39) =   1.043%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  14.66 +/- 3.22   1.787% *  0.2788% (0.34   1.0 10.00   0.02   0.02) =   0.007%
          QD1   ILE   56 - HB2   LYS+ 121  11.03 +/- 0.90   1.698% *  0.0496% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LYS+ 121  20.14 +/- 5.24   1.845% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 0.725, support = 8.39, residual support = 312.9:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.35 +/- 0.35  31.088% * 74.7463% (1.00  10.0 10.00   8.15 312.99) =  60.168%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  66.657% * 23.0703% (0.31  10.0 10.00   8.76 312.99) =  39.819%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  12.23 +/- 3.46   0.427% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.27 +/- 2.63   0.199% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  74 - HB2   LYS+ 121  17.51 +/- 2.40   0.088% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  17.43 +/- 2.92   0.103% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  18.70 +/- 4.00   0.180% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  13.68 +/- 6.77   0.497% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  12.45 +/- 4.60   0.590% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.42 +/- 2.52   0.171% *  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 = 0.963, support = 7.01, residual support = 255.5:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.66 +/- 0.37  65.240% * 56.6530% (1.00   7.15 312.99) =  77.754%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.33 +/- 0.52  24.493% * 43.1427% (0.84   6.52  54.55) =  22.230%  kept
          HB3   ASN   28 - HB2   LYS+ 121  24.39 +/- 5.98   7.882% *  0.0710% (0.45   0.02   0.02) =   0.012%
          HG2   GLN   30 - HB2   LYS+ 121  20.25 +/- 4.63   1.986% *  0.1088% (0.69   0.02   0.02) =   0.005%
          HB3   ASP-  78 - HB2   LYS+ 121  23.65 +/- 3.10   0.400% *  0.0244% (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 = 0.997, support = 7.31, residual support = 309.1:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.78 +/- 0.62  81.411% * 84.3104% (1.00  10.0 10.00   7.34 312.99) =  98.749%  kept
          HA    ALA  120 - HG2   LYS+ 121   7.15 +/- 0.32   5.733% * 14.9919% (0.76   1.0  1.00   4.65   2.58) =   1.236%  kept
          QB    SER  117 - HG2   LYS+ 121   7.45 +/- 1.30   9.511% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - HG2   LYS+ 121  16.99 +/- 2.47   0.588% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+ 121  18.13 +/- 3.52   0.794% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG2   LYS+ 121  13.96 +/- 1.68   0.927% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  19.35 +/- 6.07   0.502% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  24.58 +/- 2.05   0.189% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  24.73 +/- 2.55   0.180% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  27.40 +/- 3.81   0.165% *  0.0347% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.0:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.78 +/- 0.22  88.920% * 99.4783% (1.00  10.0 10.00   7.75 312.99) =  99.993%  kept
          QD    LYS+  38 - HG2   LYS+ 121  17.35 +/- 5.96   2.231% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HG2   LYS+ 121   7.90 +/- 0.74   4.655% *  0.0307% (0.31   1.0  1.00   0.02   4.39) =   0.002%
          QD    LYS+  65 - HG2   LYS+ 121  15.80 +/- 2.99   1.217% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  17.90 +/- 7.06   0.848% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG2   LYS+ 121  19.06 +/- 2.69   0.376% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  15.46 +/- 1.79   0.723% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  17.65 +/- 3.71   0.585% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  26.30 +/- 4.70   0.136% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  18.88 +/- 1.86   0.308% *  0.0339% (0.34   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 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 = 313.0:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.273% * 99.3314% (1.00  10.0 10.00   6.31 312.99) =  99.998%  kept
        T HG    LEU   31 - HG2   LYS+ 121  21.10 +/- 5.70   0.401% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HG2   LYS+ 121  15.96 +/- 3.39   0.256% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.89 +/- 0.67   0.804% *  0.0483% (0.49   1.0  1.00   0.02   4.39) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.91 +/- 1.03   0.266% *  0.0602% (0.61   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 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.807, support = 7.33, residual support = 312.9:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.85 +/- 0.09  41.997% * 75.5250% (1.00  10.0 10.00   7.19 312.99) =  72.100%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.64 +/- 0.21  52.623% * 23.3106% (0.31  10.0 10.00   7.69 312.99) =  27.884%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  13.81 +/- 3.52   0.814% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LYS+ 111 - HG2   LYS+ 121  15.82 +/- 3.04   0.359% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HG2   LYS+ 121  13.44 +/- 7.75   1.679% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG2   LYS+ 121  17.23 +/- 3.04   0.416% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+ 121  19.70 +/- 4.19   0.382% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  19.30 +/- 3.11   0.182% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG2   LYS+ 121  13.26 +/- 5.05   1.369% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  19.27 +/- 2.59   0.178% *  0.0577% (0.76   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 308.0:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.60 +/- 0.53  84.284% * 81.4383% (1.00  10.0   6.31 312.99) =  98.081%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.07 +/- 0.87   7.259% * 18.4566% (0.84   1.0   5.43  54.55) =   1.914%  kept
          HB3   ASN   28 - HG2   LYS+ 121  25.28 +/- 6.57   7.451% *  0.0365% (0.45   1.0   0.02   0.02) =   0.004%
          HG2   GLN   30 - HG2   LYS+ 121  21.35 +/- 4.87   0.748% *  0.0559% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG2   LYS+ 121  25.31 +/- 3.07   0.258% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.996, support = 6.69, residual support = 309.3:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   2.95 +/- 0.57  60.304% * 85.2825% (1.00  10.0 10.00   6.73 312.99) =  98.802%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.34 +/- 0.49   4.315% * 13.0413% (0.76   1.0  1.00   4.00   2.58) =   1.081%  kept
          HA    PHE   60 - QD2   LEU   73   9.37 +/- 2.68  10.262% *  0.4249% (0.09   1.0  1.00   1.05   1.20) =   0.084%
        T HA    LYS+  65 - QD2   LEU   73   9.03 +/- 1.89   4.528% *  0.0992% (0.12   1.0 10.00   0.02   0.02) =   0.009%
          QB    SER  117 - HG3   LYS+ 121   7.36 +/- 1.10   5.777% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HG3   LYS+ 121  16.92 +/- 3.02   1.198% *  0.2909% (0.34   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LYS+ 121 - QD2   LEU   73  16.39 +/- 3.00   0.599% *  0.2908% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD2   LEU   73  16.96 +/- 3.98   2.237% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 121  19.40 +/- 6.34   1.692% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD2   LEU   73  11.54 +/- 1.95   1.728% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD2   LEU   73  13.61 +/- 2.11   1.312% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  14.67 +/- 3.45   1.416% *  0.0243% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  17.99 +/- 2.99   0.405% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG3   LYS+ 121  13.86 +/- 2.03   1.097% *  0.0237% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  12.15 +/- 3.68   1.517% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  24.60 +/- 2.60   0.174% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.39 +/- 2.82   0.591% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.48 +/- 1.74   0.144% *  0.0807% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  16.01 +/- 2.37   0.583% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  27.34 +/- 3.56   0.121% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.992, support = 7.13, residual support = 309.9:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.82 +/- 0.25  69.873% * 84.8744% (1.00  10.0 10.00   7.18 312.99) =  98.922%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.15 +/- 0.59   3.405% *  9.5107% (0.31   1.0 10.00   0.73   4.39) =   0.540%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.76 +/- 0.77   6.561% *  4.7724% (0.21   1.0  1.00   5.44  42.01) =   0.522%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  14.66 +/- 3.22   1.374% *  0.2894% (0.34   1.0 10.00   0.02   0.02) =   0.007%
          QD    LYS+  65 - QD2   LEU   73  10.18 +/- 2.02   4.372% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HG3   LYS+ 121  15.76 +/- 3.28   0.989% *  0.0847% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  17.36 +/- 5.90   0.738% *  0.0761% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QD2   LEU   73  13.10 +/- 3.29   1.843% *  0.0284% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  11.09 +/- 3.06   4.470% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  17.64 +/- 6.90   0.797% *  0.0447% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  12.33 +/- 1.56   1.006% *  0.0260% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  18.94 +/- 2.99   0.285% *  0.0515% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  15.37 +/- 1.74   0.528% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  17.59 +/- 3.43   0.534% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.07 +/- 2.04   0.776% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.10 +/- 2.88   1.138% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  26.19 +/- 4.48   0.122% *  0.0832% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.78 +/- 1.59   0.254% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.32 +/- 2.68   0.492% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  18.71 +/- 3.39   0.444% *  0.0080% (0.09   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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.0:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  89.886% * 98.9593% (1.00  10.0 10.00   6.31 312.99) =  99.994%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.75 +/- 2.71   1.750% *  0.0938% (0.09   1.0 10.00   0.02   1.44) =   0.002%
        T HG2   LYS+ 121 - QD2   LEU   73  15.96 +/- 3.39   0.234% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD2   LEU   73   6.54 +/- 2.27   2.814% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  20.69 +/- 5.74   0.243% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG3   LYS+ 121  10.75 +/- 3.06   0.645% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HG3   LYS+ 121  16.18 +/- 6.75   0.915% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.20 +/- 2.45   0.888% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.62 +/- 0.50   0.560% *  0.0305% (0.31   1.0  1.00   0.02   7.26) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  12.82 +/- 3.22   1.451% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  18.16 +/- 3.44   0.170% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  12.03 +/- 2.23   0.446% *  0.0164% (0.17   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 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 = 0.765, support = 6.72, residual support = 310.2:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.90 +/- 0.08  29.135% * 67.7586% (1.00  10.0 10.00   6.59 312.99) =  66.123%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.46 +/- 0.18  46.905% * 20.9135% (0.31  10.0 10.00   7.03 312.99) =  32.856%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.78 +/- 0.57   4.023% *  5.2975% (0.26   1.0  1.00   6.00  42.01) =   0.714%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.82 +/- 0.87   1.723% *  4.5726% (0.07   1.0 10.00   2.89  42.01) =   0.264%  kept
        T QD    LYS+  66 - QD2   LEU   73  11.56 +/- 2.52   2.582% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T QD    LYS+  66 - HG3   LYS+ 121  13.90 +/- 3.89   0.696% *  0.5426% (0.80   1.0 10.00   0.02   0.02) =   0.013%
          QG2   THR   26 - QD2   LEU   73   6.17 +/- 2.11   6.397% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.005%
        T HD2   LYS+ 121 - QD2   LEU   73  15.20 +/- 3.62   0.442% *  0.2311% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 121 - QD2   LEU   73  14.89 +/- 3.29   0.470% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG3   LYS+ 121  17.12 +/- 3.49   0.472% *  0.0672% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HG3   LYS+ 121  13.18 +/- 7.66   1.165% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73  10.30 +/- 2.05   1.002% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  19.18 +/- 3.36   0.155% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG3   LYS+ 121  13.11 +/- 5.17   1.575% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG3   LYS+ 121  19.46 +/- 4.48   0.283% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG3   LYS+ 121  19.13 +/- 2.95   0.151% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   9.19 +/- 2.03   1.864% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  15.74 +/- 2.71   0.246% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  13.35 +/- 2.28   0.408% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.81 +/- 3.45   0.306% *  0.0051% (0.08   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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.98, residual support = 309.0:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.58 +/- 0.53  61.322% * 81.7870% (1.00  10.0   6.00 312.99) =  98.501%  kept
          HB3   HIS  122 - HG3   LYS+ 121   7.27 +/- 0.57   3.756% * 17.4856% (0.84   1.0   5.12  54.55) =   1.290%  kept
          HG2   GLN   30 - QD2   LEU   73   5.97 +/- 2.80  18.297% *  0.5540% (0.23   1.0   0.58   3.13) =   0.199%  kept
          HB3   ASN   28 - HG3   LYS+ 121  25.01 +/- 6.80  11.669% *  0.0367% (0.45   1.0   0.02   0.02) =   0.008%
          HB3   ASN   28 - QD2   LEU   73   9.71 +/- 3.01   2.215% *  0.0125% (0.15   1.0   0.02   1.35) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  14.34 +/- 3.44   0.900% *  0.0279% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  14.19 +/- 2.98   0.791% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  21.09 +/- 5.25   0.265% *  0.0562% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  13.26 +/- 1.74   0.695% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  25.21 +/- 3.04   0.091% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.965, support = 7.27, residual support = 274.7:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.47 +/- 0.63  36.171% * 54.7985% (1.00 10.00   7.67 312.99) =  87.600%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.41 +/- 0.88   6.224% * 41.8786% (0.76 10.00   4.42   2.58) =  11.520%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.30 +/- 0.97   6.994% *  2.3243% (0.04 10.00   5.53  30.94) =   0.718%  kept
          QB    SER  117 - HD2   LYS+ 121   6.54 +/- 1.97   9.448% *  0.3216% (0.84  1.00   0.14   0.02) =   0.134%  kept
        T HA    LYS+  65 - HD3   LYS+  74   8.59 +/- 2.97   6.945% *  0.0292% (0.05 10.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HD2   LYS+ 121  16.14 +/- 2.67   0.541% *  0.1869% (0.34 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  66  13.52 +/- 3.64   1.155% *  0.0681% (0.12 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HD2   LYS+ 121  19.07 +/- 5.87   1.309% *  0.0225% (0.41  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+  74   8.63 +/- 3.19  10.249% *  0.0024% (0.04  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  12.62 +/- 1.95   1.581% *  0.0152% (0.28  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+  74  19.78 +/- 2.92   0.276% *  0.0855% (0.16 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  17.37 +/- 2.45   0.354% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  66  12.91 +/- 4.76   6.772% *  0.0028% (0.05  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  12.26 +/- 3.33   1.787% *  0.0081% (0.15  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD2   LYS+ 121  23.36 +/- 2.39   0.187% *  0.0543% (0.99  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66  12.50 +/- 4.22   1.683% *  0.0052% (0.10  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  12.61 +/- 1.88   0.909% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  23.60 +/- 1.26   0.144% *  0.0518% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  13.89 +/- 3.27   0.893% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  15.39 +/- 3.44   0.560% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  16.73 +/- 3.59   0.674% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.89 +/- 0.76   1.993% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.07 +/- 2.83   0.523% *  0.0071% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.13 +/- 3.51   0.541% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  18.50 +/- 3.48   0.438% *  0.0064% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  18.85 +/- 2.92   0.342% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  26.77 +/- 3.04   0.096% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  16.46 +/- 5.03   0.553% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.45 +/- 1.39   0.335% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  22.43 +/- 4.03   0.323% *  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 = 0.837, support = 7.29, residual support = 287.9:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.35 +/- 0.35  28.443% * 79.1506% (1.00  10.0 10.00   8.15 312.99) =  81.907%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  60.934% *  7.4880% (0.09  10.0  1.00   3.34 187.00) =  16.600%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.49 +/- 1.28   4.098% *  9.8204% (0.12   1.0 10.00   4.27  30.94) =   1.464%  kept
        T QD    LYS+  38 - HD2   LYS+ 121  17.56 +/- 6.00   0.341% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  65 - HD2   LYS+ 121  15.03 +/- 2.93   0.191% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HD3   LYS+  74   9.13 +/- 2.96   0.995% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HD2   LYS+ 121  18.21 +/- 6.12   0.156% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 121 - QD    LYS+  66  12.23 +/- 3.46   0.390% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.05 +/- 2.86   0.076% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  16.67 +/- 3.62   0.125% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.49 +/- 0.89   0.902% *  0.0244% (0.31   1.0  1.00   0.02   4.39) =   0.001%
        T QD    LYS+  38 - QD    LYS+  66  15.93 +/- 3.40   0.143% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  17.43 +/- 2.92   0.095% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  19.51 +/- 3.43   0.088% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  20.20 +/- 4.84   0.118% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  14.02 +/- 2.01   0.183% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  20.98 +/- 2.55   0.054% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  10.10 +/- 2.82   0.755% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  11.43 +/- 2.08   0.337% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  20.43 +/- 3.51   0.071% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  25.56 +/- 3.96   0.025% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  21.07 +/- 3.87   0.051% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.70 +/- 1.53   0.064% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  14.35 +/- 1.86   0.129% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  12.95 +/- 4.39   0.435% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  20.54 +/- 4.51   0.127% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.05 +/- 1.73   0.314% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  13.23 +/- 2.30   0.185% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.39 +/- 2.85   0.108% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.46 +/- 3.57   0.064% *  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 = 1.0, support = 7.19, residual support = 312.9:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.85 +/- 0.09  64.180% * 99.3656% (1.00  10.0 10.00   7.19 312.99) =  99.983%  kept
          HG13  ILE  103 - HD2   LYS+ 121  16.39 +/- 6.06   5.983% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          QG2   VAL  107 - HD2   LYS+ 121  10.05 +/- 2.96   2.511% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+ 121 - QD    LYS+  66  13.81 +/- 3.52   1.320% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD2   LYS+ 121   8.20 +/- 0.91   3.109% *  0.0307% (0.31   1.0  1.00   0.02   7.26) =   0.001%
          QB    ALA   20 - HD3   LYS+  74   8.41 +/- 4.49   5.993% *  0.0124% (0.12   1.0  1.00   0.02   5.95) =   0.001%
          HB3   LEU   31 - HD2   LYS+ 121  20.44 +/- 5.99   2.058% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  19.30 +/- 3.11   0.290% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HD2   LYS+ 121  17.54 +/- 3.54   0.493% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD    LYS+  66  10.06 +/- 3.42   5.318% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  13.07 +/- 2.76   1.126% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  13.18 +/- 1.76   0.784% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  13.09 +/- 2.61   1.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.26 +/- 4.88   1.349% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  18.09 +/- 4.39   1.874% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.34 +/- 2.78   1.296% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.14 +/- 3.30   0.924% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.71 +/- 2.10   0.390% *  0.0075% (0.08   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 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 312.9:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.90 +/- 0.08  61.729% * 99.1222% (1.00  10.0 10.00   6.59 312.99) =  99.978%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  15.20 +/- 3.62   0.925% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - QD    LYS+  66  11.56 +/- 2.52   5.203% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - HD3   LYS+  74   7.82 +/- 0.87   3.751% *  0.0527% (0.05   1.0 10.00   0.02  42.01) =   0.003%
        T HG3   LYS+ 121 - QD    LYS+  66  13.90 +/- 3.89   1.574% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD2   LYS+ 121   8.37 +/- 0.78   3.013% *  0.0482% (0.49   1.0  1.00   0.02   4.39) =   0.002%
          QD1   ILE   56 - HD2   LYS+ 121  11.62 +/- 1.33   1.117% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HD2   LYS+ 121  20.57 +/- 6.02   2.709% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  19.18 +/- 3.36   0.338% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  11.29 +/- 3.28   4.953% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QD    LYS+  66  10.77 +/- 4.53   6.275% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD    LYS+  66  18.07 +/- 4.48   4.736% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.49 +/- 2.05   1.291% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.28 +/- 2.95   1.699% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.43 +/- 3.43   0.687% *  0.0075% (0.08   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 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 = 0.995, support = 6.46, residual support = 304.8:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.27 +/- 0.13  72.460% * 80.1300% (1.00  10.0  1.00   6.49 312.99) =  96.832%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.32 +/- 1.49   9.935% * 19.0622% (0.84   1.0  1.00   5.70  54.55) =   3.158%  kept
        T HG2   GLN   30 - HD2   LYS+ 121  20.67 +/- 5.43   0.404% *  0.5504% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASN   28 - HD2   LYS+ 121  24.77 +/- 6.69   4.995% *  0.0359% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB3   HIS  122 - QD    LYS+  66  10.10 +/- 4.10   5.649% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - HD3   LYS+  74  14.14 +/- 2.31   0.399% *  0.0859% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD    LYS+  66  12.70 +/- 3.60   3.330% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - QD    LYS+  66  17.14 +/- 2.79   0.378% *  0.0684% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  17.38 +/- 3.58   0.357% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.59 +/- 3.07   0.273% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.68 +/- 1.87   0.935% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  24.38 +/- 3.19   0.116% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  21.56 +/- 4.65   0.322% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.32 +/- 2.26   0.168% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  18.11 +/- 3.82   0.278% *  0.0015% (0.02   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 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 = 3.44, residual support = 76.3:
    * O T HB2   HIS  122 - HA    HIS  122   2.48 +/- 0.16  99.372% * 99.8210% (1.00  10.0 10.00   3.44  76.25) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  16.07 +/- 0.94   0.403% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.88 +/- 2.11   0.225% *  0.0895% (0.90   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 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.81, residual support = 75.7:
    * O T HB3   HIS  122 - HA    HIS  122   2.93 +/- 0.21  79.185% * 87.8777% (1.00  10.0 10.00   3.83  76.25) =  97.239%  kept
          QE    LYS+ 121 - HA    HIS  122   5.99 +/- 1.26  16.399% * 12.0408% (0.84   1.0  1.00   3.28  54.55) =   2.759%  kept
          HG2   GLN   30 - HA    HIS  122  20.07 +/- 4.82   3.123% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    HIS  122  24.69 +/- 5.90   0.950% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  25.07 +/- 3.56   0.344% *  0.0361% (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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.2:
    * O T HA    HIS  122 - HB2   HIS  122   2.48 +/- 0.16  89.512% * 99.8702% (1.00  10.0 10.00   3.44  76.25) =  99.991%  kept
          HA    VAL   41 - HB2   HIS  122  13.20 +/- 4.99  10.079% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.009%
          HA    PHE   45 - HB2   HIS  122  18.32 +/- 2.27   0.264% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.89 +/- 1.75   0.146% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.999, support = 4.4, residual support = 76.2:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  96.021% * 85.9566% (1.00  10.0 10.00   4.41  76.25) =  99.665%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.47 +/- 1.42   1.983% * 13.9637% (0.84   1.0  1.00   3.89  54.55) =   0.334%  kept
          HG2   GLN   30 - HB2   HIS  122  19.18 +/- 5.08   1.684% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   HIS  122  23.81 +/- 3.83   0.138% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  23.92 +/- 5.85   0.175% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.83, residual support = 76.2:
    * O T HA    HIS  122 - HB3   HIS  122   2.93 +/- 0.21  89.015% * 99.0081% (1.00  10.0 10.00   3.83  76.25) =  99.890%  kept
          HA    VAL   41 - HB3   HIS  122  13.43 +/- 4.50  10.259% *  0.9425% (0.80   1.0  1.00   0.24   0.02) =   0.110%  kept
          HA    PHE   45 - HB3   HIS  122  17.83 +/- 2.06   0.460% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.10 +/- 1.59   0.266% *  0.0247% (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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 76.3:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.688% * 99.8210% (1.00  10.0 10.00   4.41  76.25) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.17 +/- 1.24   0.204% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  17.97 +/- 2.31   0.108% *  0.0895% (0.90   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 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 = 203.9:
    * O T HB2   LEU  123 - HA    LEU  123   2.91 +/- 0.19  89.056% * 98.5720% (1.00  10.0 10.00   6.13 203.94) =  99.984%  kept
        T QD    LYS+  99 - HA    LEU  123  15.82 +/- 7.20   2.113% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 106 - HA    LEU  123  19.62 +/- 3.79   0.382% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LEU  123   7.81 +/- 0.24   4.752% *  0.0304% (0.31   1.0  1.00   0.02   4.39) =   0.002%
          QD    LYS+  65 - HA    LEU  123  14.41 +/- 2.94   1.487% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HA    LEU  123  18.57 +/- 5.65   0.700% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  22.15 +/- 6.30   0.353% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.39 +/- 1.91   0.264% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.81 +/- 1.52   0.268% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  21.15 +/- 3.31   0.328% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  24.13 +/- 1.75   0.174% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  29.22 +/- 4.00   0.124% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 203.9:
    * O T HB3   LEU  123 - HA    LEU  123   2.52 +/- 0.15  93.965% * 99.6484% (1.00  10.0 10.00   5.50 203.94) =  99.994%  kept
          QD    LYS+  33 - HA    LEU  123  19.40 +/- 5.73   4.884% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   57 - HA    LEU  123  14.77 +/- 1.81   0.570% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LEU  123  20.99 +/- 1.90   0.184% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.96 +/- 3.21   0.252% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  22.47 +/- 2.05   0.145% *  0.0197% (0.20   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 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.39, residual support = 203.2:
    * O T HG    LEU  123 - HA    LEU  123   3.61 +/- 0.59  70.306% * 97.0777% (0.69  10.0 10.00   5.41 203.94) =  99.614%  kept
          HG3   PRO   68 - HA    LEU  123  13.13 +/- 5.72  14.448% *  1.7427% (0.92   1.0  1.00   0.27   0.02) =   0.367%  kept
        T HB    ILE   56 - HA    LEU  123  16.10 +/- 2.27   1.177% *  0.2475% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HA    LEU  123  20.67 +/- 5.37   2.278% *  0.1026% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HA    LEU  123  16.34 +/- 6.08   1.920% *  0.1180% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    LEU  123  11.67 +/- 3.90   4.570% *  0.0218% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  22.31 +/- 6.17   0.759% *  0.1267% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU  123  20.81 +/- 6.10   1.267% *  0.0581% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  18.76 +/- 3.97   0.762% *  0.0744% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU  123  18.22 +/- 4.42   1.316% *  0.0393% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    LEU  123  21.80 +/- 1.88   0.394% *  0.1226% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    LEU  123  28.71 +/- 4.07   0.381% *  0.0800% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  24.41 +/- 1.96   0.291% *  0.0971% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  30.79 +/- 1.74   0.130% *  0.0914% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 203.4:
    *   T QD1   LEU  123 - HA    LEU  123   2.59 +/- 0.66  74.833% * 98.2901% (1.00 10.00   5.99 203.94) =  99.712%  kept
          QG1   VAL   70 - HA    LEU  123  11.79 +/- 4.34  14.367% *  1.4139% (0.92  1.00   0.31   0.02) =   0.275%  kept
          QD1   LEU   71 - HA    LEU  123  14.43 +/- 4.67   7.470% *  0.0983% (1.00  1.00   0.02   0.02) =   0.010%
          HB3   LEU  104 - HA    LEU  123  17.31 +/- 6.88   1.311% *  0.0821% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  123  14.91 +/- 2.59   0.902% *  0.0821% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  123  13.47 +/- 2.67   1.116% *  0.0335% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 203.9:
    *   T QD2   LEU  123 - HA    LEU  123   2.75 +/- 0.39  95.655% * 99.9316% (1.00 10.00   4.88 203.94) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.08 +/- 0.36   3.064% *  0.0486% (0.49  1.00   0.02   4.39) =   0.002%
          HB3   LEU  104 - HA    LEU  123  17.31 +/- 6.88   1.282% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 203.9:
    * O T HA    LEU  123 - HB2   LEU  123   2.91 +/- 0.19  93.556% * 98.7431% (1.00  10.0 10.00   6.13 203.94) =  99.991%  kept
        T HA    LYS+  99 - HB2   LEU  123  19.16 +/- 5.79   0.613% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   56 - HB2   LEU  123  15.71 +/- 2.07   0.769% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LEU  123  12.86 +/- 1.51   1.405% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  16.72 +/- 4.58   0.893% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  14.85 +/- 2.31   1.009% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  22.94 +/- 5.24   0.328% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  20.55 +/- 5.16   0.733% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  24.67 +/- 5.63   0.693% *  0.0337% (0.34   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 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 = 5.45, residual support = 203.9:
    * O T HG    LEU  123 - HB2   LEU  123   2.40 +/- 0.25  92.764% * 97.8726% (0.69  10.0 10.00   5.45 203.94) =  99.990%  kept
        T QB    LYS+ 106 - HB2   LEU  123  17.79 +/- 3.56   0.380% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HB2   LEU  123  14.37 +/- 5.01   1.525% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HB2   LEU  123  18.43 +/- 3.78   0.340% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HB2   LEU  123  15.26 +/- 5.59   0.966% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LEU  123  12.42 +/- 3.69   2.160% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   LEU  123  21.53 +/- 4.73   0.309% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  21.78 +/- 5.37   0.239% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.39 +/- 5.32   0.355% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  21.36 +/- 2.45   0.160% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.43 +/- 2.54   0.502% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.62 +/- 2.43   0.118% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  28.67 +/- 4.10   0.127% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  30.06 +/- 2.05   0.055% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 203.9:
    * O T QD1   LEU  123 - HB2   LEU  123   2.62 +/- 0.25  92.361% * 99.6081% (1.00  10.0 10.00   6.00 203.94) =  99.993%  kept
          QG1   VAL   70 - HB2   LEU  123  12.54 +/- 3.83   3.358% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HB2   LEU  123  15.19 +/- 4.40   1.905% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  16.66 +/- 6.15   0.836% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  123  15.44 +/- 2.68   0.724% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  13.77 +/- 2.19   0.816% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.995, support = 4.96, residual support = 202.0:
    * O T QD2   LEU  123 - HB2   LEU  123   3.01 +/- 0.25  93.378% * 84.9678% (1.00  10.0 10.00   5.00 203.94) =  99.007%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.15 +/- 0.59   5.298% * 15.0153% (0.49   1.0 10.00   0.73   4.39) =   0.993%  kept
          HB3   LEU  104 - HB2   LEU  123  16.66 +/- 6.15   1.324% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 203.9:
    * O T HA    LEU  123 - HG    LEU  123   3.61 +/- 0.59  87.645% * 99.5102% (0.69  10.0 10.00   5.41 203.94) =  99.992%  kept
          HA    ILE   56 - HG    LEU  123  14.85 +/- 2.47   1.879% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU  123  12.38 +/- 2.08   3.443% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HG    LEU  123  14.09 +/- 2.43   2.454% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU  123  19.53 +/- 5.29   0.963% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  17.08 +/- 4.31   1.408% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  23.30 +/- 4.96   0.524% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG    LEU  123  20.62 +/- 5.21   0.914% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  24.73 +/- 5.63   0.769% *  0.0339% (0.23   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 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.45, residual support = 203.9:
    * O T HB2   LEU  123 - HG    LEU  123   2.40 +/- 0.25  92.383% * 96.6014% (0.69  10.0 10.00   5.45 203.94) =  99.985%  kept
        T QD    LYS+  65 - HG    LEU  123  14.98 +/- 3.78   1.872% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   LYS+ 111 - HG    LEU  123  18.62 +/- 2.03   0.226% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - HG    LEU  123  19.97 +/- 2.70   0.196% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG    LEU  123  22.27 +/- 4.91   0.211% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HG    LEU  123   7.81 +/- 0.53   3.054% *  0.0298% (0.21   1.0  1.00   0.02   4.39) =   0.001%
          QD    LYS+  99 - HG    LEU  123  16.43 +/- 5.65   0.946% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  19.78 +/- 5.23   0.361% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.23 +/- 3.52   0.257% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  18.77 +/- 2.86   0.279% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  22.74 +/- 2.39   0.125% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  28.89 +/- 4.38   0.090% *  0.0397% (0.28   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 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 203.9:
    * O T HB3   LEU  123 - HG    LEU  123   2.62 +/- 0.13  96.720% * 97.8109% (0.69  10.0 10.00   5.12 203.94) =  99.981%  kept
        T QD    LYS+  33 - HG    LEU  123  20.49 +/- 4.93   1.448% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.015%
        T HD3   LYS+ 111 - HG    LEU  123  18.78 +/- 2.42   0.313% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG    LEU  123  13.91 +/- 2.28   0.879% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   ARG+  54 - HG    LEU  123  21.21 +/- 2.65   0.212% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.92 +/- 3.48   0.429% *  0.0554% (0.39   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 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 = 5.57, residual support = 203.9:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  85.856% * 99.6081% (0.69  10.0 10.00   5.57 203.94) =  99.985%  kept
          QG1   VAL   70 - HG    LEU  123  12.57 +/- 4.00  11.725% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.013%
          QD1   LEU   71 - HG    LEU  123  15.36 +/- 4.25   1.264% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU  123  15.31 +/- 2.90   0.339% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  17.13 +/- 5.50   0.306% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  13.57 +/- 2.54   0.510% *  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 = 203.9:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  98.342% * 99.9316% (0.69  10.0 10.00   4.57 203.94) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.29 +/- 0.88   1.308% *  0.0486% (0.33   1.0  1.00   0.02   4.39) =   0.001%
          HB3   LEU  104 - HG    LEU  123  17.13 +/- 5.50   0.350% *  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 = 5.99, residual support = 203.9:
    *   T HA    LEU  123 - QD1   LEU  123   2.59 +/- 0.66  89.098% * 99.5102% (1.00 10.00   5.99 203.94) =  99.993%  kept
          HA    ILE   56 - QD1   LEU  123  11.94 +/- 2.37   1.460% *  0.0975% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD1   LEU  123  10.51 +/- 1.54   2.173% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  15.60 +/- 4.64   1.083% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD1   LEU  123  10.98 +/- 2.45   1.986% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD1   LEU  123  13.44 +/- 3.63   1.320% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU  123  16.36 +/- 4.07   1.447% *  0.0339% (0.34  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU  123  18.75 +/- 4.15   0.410% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  19.85 +/- 4.57   1.023% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.995, support = 5.98, residual support = 202.6:
    * O T HB2   LEU  123 - QD1   LEU  123   2.62 +/- 0.25  81.500% * 93.9371% (1.00  10.0 10.00   6.00 203.94) =  99.302%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.68 +/- 0.37   9.777% *  5.4576% (0.31   1.0  1.00   3.76   4.39) =   0.692%  kept
          QD    LYS+  65 - QD1   LEU  123  11.58 +/- 2.94   3.183% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  13.20 +/- 4.85   1.663% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  123  18.05 +/- 4.46   0.663% *  0.0867% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU  123  16.18 +/- 2.45   0.450% *  0.0937% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD1   LEU  123  15.89 +/- 4.21   0.776% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU  123  15.56 +/- 1.40   0.437% *  0.0842% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.88 +/- 2.47   0.475% *  0.0608% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  15.21 +/- 2.62   0.616% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  18.49 +/- 2.04   0.279% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  23.35 +/- 3.52   0.183% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 203.9:
    * O T HB3   LEU  123 - QD1   LEU  123   3.07 +/- 0.22  88.113% * 99.6484% (1.00  10.0 10.00   5.67 203.94) =  99.988%  kept
          QD    LYS+  33 - QD1   LEU  123  16.44 +/- 4.18   6.555% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.007%
          QB    ALA   57 - QD1   LEU  123  11.10 +/- 2.22   3.010% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - QD1   LEU  123  15.73 +/- 1.74   0.764% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  15.70 +/- 2.53   0.924% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QD1   LEU  123  17.12 +/- 2.45   0.635% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.57, residual support = 203.9:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  86.713% * 98.8924% (0.69  10.0 10.00   5.57 203.94) =  99.988%  kept
          HG3   PRO   68 - QD1   LEU  123  11.15 +/- 4.35   3.895% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - QD1   LEU  123  12.58 +/- 4.41   0.877% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU  123   9.27 +/- 3.55   3.991% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   LEU  123  17.42 +/- 3.87   0.757% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD1   LEU  123  16.53 +/- 4.43   0.792% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD1   LEU  123  17.80 +/- 4.39   0.352% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD1   LEU  123  14.68 +/- 3.19   0.838% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  14.47 +/- 2.71   0.357% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  16.56 +/- 2.39   0.215% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.96 +/- 3.73   0.242% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  11.74 +/- 2.41   0.759% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  18.59 +/- 2.26   0.147% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.20 +/- 2.02   0.064% *  0.0931% (0.65   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 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 = 4.94, residual support = 203.9:
    * O T QD2   LEU  123 - QD1   LEU  123   2.06 +/- 0.07  96.234% * 99.7540% (1.00  10.0 10.00   4.94 203.94) =  99.997%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.03 +/- 0.85   3.136% *  0.0486% (0.49   1.0  1.00   0.02   4.39) =   0.002%
        T HB3   LEU  104 - QD1   LEU  123  13.86 +/- 4.83   0.629% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   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 = 4.88, residual support = 203.9:
    *   T HA    LEU  123 - QD2   LEU  123   2.75 +/- 0.39  91.918% * 99.5102% (1.00 10.00   4.88 203.94) =  99.995%  kept
          HA    ILE   56 - QD2   LEU  123  13.20 +/- 2.36   1.083% *  0.0975% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD2   LEU  123  11.71 +/- 1.77   1.551% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD2   LEU  123  12.22 +/- 2.33   1.736% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD2   LEU  123  17.18 +/- 4.67   0.736% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  14.97 +/- 3.70   1.021% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  19.88 +/- 4.38   0.463% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  17.24 +/- 4.82   0.999% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  20.56 +/- 5.24   0.492% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 203.9:
    * O T HB2   LEU  123 - QD2   LEU  123   3.01 +/- 0.25  82.874% * 99.0560% (1.00  10.0 10.00   5.00 203.94) =  99.976%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.97 +/- 0.26   4.612% *  0.3057% (0.31   1.0 10.00   0.02   4.39) =   0.017%
          QD    LYS+  65 - QD2   LEU  123  12.66 +/- 3.33   6.831% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - QD2   LEU  123  14.42 +/- 5.00   1.665% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU  123  17.91 +/- 2.44   0.516% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU  123  16.81 +/- 4.41   0.889% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  16.95 +/- 1.63   0.559% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  19.48 +/- 4.42   0.479% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD2   LEU  123  18.42 +/- 2.95   0.475% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  20.29 +/- 2.12   0.326% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  16.92 +/- 2.32   0.526% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  25.06 +/- 3.75   0.247% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 203.9:
    * O T HB3   LEU  123 - QD2   LEU  123   2.26 +/- 0.34  96.770% * 99.6484% (1.00  10.0 10.00   4.56 203.94) =  99.997%  kept
          QD    LYS+  33 - QD2   LEU  123  17.30 +/- 4.55   1.482% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QD2   LEU  123  12.10 +/- 2.23   0.812% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD2   LEU  123  17.30 +/- 3.14   0.471% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  17.10 +/- 1.94   0.263% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  18.44 +/- 2.47   0.203% *  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 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.57, residual support = 203.9:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  91.049% * 98.6685% (0.69  10.0 10.00   4.57 203.94) =  99.990%  kept
          HG3   PRO   68 - QD2   LEU  123  12.29 +/- 4.89   3.545% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.005%
        T HB    ILE   56 - QD2   LEU  123  13.13 +/- 2.49   0.523% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  14.45 +/- 4.10   0.491% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD2   LEU  123  18.32 +/- 4.32   0.549% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123  10.59 +/- 3.75   2.057% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD2   LEU  123  19.65 +/- 4.18   0.207% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  17.89 +/- 2.40   0.171% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  24.38 +/- 4.19   0.252% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.45 +/- 4.19   0.343% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  16.19 +/- 2.41   0.243% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.40 +/- 3.07   0.394% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  20.02 +/- 2.32   0.120% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  25.92 +/- 2.33   0.055% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 203.9:
    * O T QD1   LEU  123 - QD2   LEU  123   2.06 +/- 0.07  85.318% * 99.6081% (1.00  10.0 10.00   4.94 203.94) =  99.985%  kept
          QG1   VAL   70 - QD2   LEU  123  11.01 +/- 3.39  11.441% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.012%
          QD1   LEU   71 - QD2   LEU  123  13.19 +/- 3.50   1.461% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU  123  13.09 +/- 2.74   0.722% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU  123  15.51 +/- 4.67   0.345% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123  12.10 +/- 2.26   0.713% *  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 +/- 0.02  86.740% * 97.4620% (1.00  10.0 10.00   1.00   9.13) =  99.994%  kept
        T HB2   LEU   31 - HA    ALA   34   7.62 +/- 0.40   1.953% *  0.0730% (0.07   1.0 10.00   0.02  11.76) =   0.002%
        T QB    ALA  124 - HA    ALA   34  18.37 +/- 5.14   0.926% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - HA    ALA  124  25.15 +/- 5.88   0.144% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  27.37 +/- 2.67   0.050% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   34  11.18 +/- 3.17   2.023% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  16.71 +/- 2.41   0.216% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  21.71 +/- 6.76   0.160% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  19.53 +/- 8.77   0.430% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  21.10 +/- 3.48   0.117% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.83 +/- 2.35   0.105% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.79 +/- 0.61   2.907% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.17 +/- 1.42   0.070% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  10.47 +/- 3.36   1.544% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  20.72 +/- 7.07   0.247% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.25 +/- 1.93   0.072% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  22.74 +/- 5.35   0.106% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  15.73 +/- 2.15   0.284% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.75 +/- 4.50   0.034% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.67 +/- 2.25   0.108% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  25.34 +/- 8.73   0.134% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.48 +/- 1.41   0.205% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.52 +/- 3.36   0.084% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  22.48 +/- 5.70   0.128% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  12.64 +/- 2.17   0.536% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.12 +/- 1.99   0.087% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  16.07 +/- 4.23   0.315% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  18.08 +/- 1.82   0.160% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  26.58 +/- 3.30   0.054% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  25.25 +/- 3.10   0.061% *  0.0028% (0.03   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 1629 (1.35, 1.35, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 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 +/- 0.02  97.639% * 98.8388% (1.00  10.0 10.00   1.00   9.13) =  99.994%  kept
        T HA    ALA   34 - QB    ALA  124  18.37 +/- 5.14   1.042% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ASN   28 - QB    ALA  124  23.26 +/- 5.23   0.279% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA  124  20.92 +/- 5.92   0.393% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.53 +/- 0.74   0.319% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.65 +/- 1.60   0.115% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.74 +/- 3.33   0.058% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  21.96 +/- 6.64   0.156% *  0.0196% (0.20   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 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 203.9:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.155% * 97.4949% (1.00  10.0 10.00   5.52 203.94) =  99.995%  kept
        T QD    LYS+  33 - HB2   LEU  123  20.33 +/- 5.11   0.391% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HB2   LEU  123  19.12 +/- 2.04   0.085% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB2   LEU  123  20.30 +/- 3.09   0.093% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  14.61 +/- 2.11   0.219% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  22.05 +/- 2.54   0.057% *  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 = 203.9:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.669% * 96.4170% (0.99  10.0 10.00   5.52 203.94) =  99.995%  kept
        T QD    LYS+  65 - HB3   LEU  123  15.67 +/- 3.28   0.379% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HB3   LEU  123  19.70 +/- 5.57   0.148% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  22.78 +/- 5.71   0.078% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  20.01 +/- 1.53   0.071% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.22 +/- 0.61   1.050% *  0.0365% (0.38   1.0  1.00   0.02   4.39) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  30.02 +/- 4.03   0.026% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  16.68 +/- 6.45   0.327% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.46 +/- 1.90   0.059% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.17 +/- 3.50   0.066% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  19.78 +/- 3.43   0.086% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  24.18 +/- 1.86   0.040% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 203.9:
    * O T QD1   LEU  123 - HB3   LEU  123   3.07 +/- 0.22  90.102% * 99.6081% (1.00  10.0 10.00   5.67 203.94) =  99.991%  kept
          QG1   VAL   70 - HB3   LEU  123  13.07 +/- 4.04   4.293% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HB3   LEU  123  15.63 +/- 4.56   2.376% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HB3   LEU  123  15.80 +/- 2.99   1.192% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.74 +/- 6.30   1.006% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  14.58 +/- 2.37   1.031% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 203.9:
    * O T QD2   LEU  123 - HB3   LEU  123   2.26 +/- 0.34  96.634% * 99.9316% (1.00  10.0 10.00   4.56 203.94) =  99.998%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.38 +/- 0.85   2.760% *  0.0486% (0.49   1.0  1.00   0.02   4.39) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.74 +/- 6.30   0.607% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 203.8:
    * O T HG    LEU  123 - HB3   LEU  123   2.62 +/- 0.13  92.094% * 95.7694% (0.69  10.0 10.00   5.12 203.94) =  99.953%  kept
        T HG3   PRO   68 - HB3   LEU  123  14.82 +/- 5.35   2.223% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.032%
        T QB    LYS+  33 - HB3   LEU  123  21.85 +/- 5.19   0.760% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   ARG+  54 - HB3   LEU  123  22.03 +/- 2.06   0.174% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB3   LEU  123  16.45 +/- 5.70   0.803% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  12.94 +/- 3.91   1.678% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  22.90 +/- 5.66   0.238% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  18.86 +/- 3.64   0.341% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  21.50 +/- 5.65   0.382% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.30 +/- 3.94   0.443% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  29.39 +/- 4.31   0.177% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.15 +/- 2.34   0.499% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  24.41 +/- 2.14   0.125% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  31.06 +/- 2.09   0.061% *  0.0902% (0.65   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 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 203.9:
    * O T HA    LEU  123 - HB3   LEU  123   2.52 +/- 0.15  96.402% * 99.5102% (1.00  10.0 10.00   5.50 203.94) =  99.998%  kept
          HA    ILE   56 - HB3   LEU  123  16.37 +/- 1.93   0.404% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   LEU  123  13.83 +/- 1.61   0.737% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  20.00 +/- 6.13   0.378% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  17.46 +/- 4.80   0.569% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  23.43 +/- 5.51   0.220% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.36 +/- 2.22   0.533% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  20.80 +/- 5.51   0.445% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  24.88 +/- 5.86   0.311% *  0.0339% (0.34   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 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.979, support = 5.63, residual support = 313.0:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  86.602% * 76.1572% (1.00  10.0   5.59 312.99) =  96.939%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.89 +/- 0.34   8.854% * 23.5057% (0.31  10.0   7.04 312.99) =   3.059%  kept
          QD    LYS+  66 - HD3   LYS+ 121  13.97 +/- 3.94   0.794% *  0.0610% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD3   LYS+ 121  13.45 +/- 5.56   2.088% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.22 +/- 3.36   0.252% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 121  13.85 +/- 7.17   0.788% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  19.52 +/- 4.63   0.183% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  19.05 +/- 3.20   0.103% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  15.35 +/- 3.72   0.235% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.04 +/- 3.43   0.102% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 313.0:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.60 +/- 0.32  87.798% * 99.7211% (1.00  10.0   6.28 312.99) =  99.992%  kept
          HG13  ILE  103 - HD3   LYS+ 121  16.51 +/- 6.61   5.961% *  0.0485% (0.49   1.0   0.02   0.02) =   0.003%
          QG2   VAL  107 - HD3   LYS+ 121  10.51 +/- 3.47   2.914% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD3   LYS+ 121   9.57 +/- 0.84   1.962% *  0.0308% (0.31   1.0   0.02   7.26) =   0.001%
          QB    ALA   20 - HD3   LYS+ 121  18.16 +/- 3.55   0.387% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  20.88 +/- 6.21   0.977% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 313.0:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.58 +/- 0.30  92.227% * 98.9917% (1.00  10.0 10.00   5.98 312.99) =  99.988%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.48 +/- 1.37   1.055% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU   73 - HD3   LYS+ 121  15.77 +/- 3.84   0.795% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD3   LYS+ 121   9.21 +/- 0.95   2.730% *  0.0482% (0.49   1.0  1.00   0.02   4.39) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  21.07 +/- 6.10   3.193% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.32 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 = 7.11, residual support = 312.9:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.34 +/- 0.31  80.656% * 99.2313% (1.00  10.0  1.00   7.11 312.99) =  99.982%  kept
          QD    LYS+  38 - HD3   LYS+ 121  17.75 +/- 6.20   5.113% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.006%
        T HD3   LYS+ 111 - HD3   LYS+ 121  17.17 +/- 4.29   1.213% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  65 - HD3   LYS+ 121  15.82 +/- 3.17   2.004% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HD3   LYS+ 121   8.50 +/- 0.86   6.230% *  0.0306% (0.31   1.0  1.00   0.02   4.39) =   0.002%
          QD    LYS+ 102 - HD3   LYS+ 121  18.10 +/- 6.59   1.849% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  14.98 +/- 2.01   1.459% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  18.86 +/- 3.10   0.678% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   LYS+ 121  25.95 +/- 4.26   0.234% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.47 +/- 1.70   0.564% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 5.73, residual support = 307.0:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.46 +/- 0.15  84.231% * 83.7786% (1.00  10.0   5.76 312.99) =  97.697%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.42 +/- 1.64  10.312% * 16.1134% (0.84   1.0   4.61  54.55) =   2.300%  kept
          HB3   ASN   28 - HD3   LYS+ 121  25.23 +/- 6.75   4.861% *  0.0376% (0.45   1.0   0.02   0.02) =   0.003%
          HG2   GLN   30 - HD3   LYS+ 121  21.27 +/- 5.41   0.446% *  0.0575% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  24.95 +/- 3.01   0.150% *  0.0129% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.995, support = 6.61, residual support = 307.0:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   3.98 +/- 0.63  58.115% * 88.0764% (1.00 10.00   6.68 312.99) =  98.077%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.62 +/- 0.76   8.747% * 11.1948% (0.76  1.00   3.33   2.58) =   1.876%  kept
          QB    SER  117 - HD3   LYS+ 121   7.13 +/- 2.22  21.997% *  0.0736% (0.84  1.00   0.02   0.02) =   0.031%
        T HA    LYS+  65 - HD3   LYS+ 121  17.01 +/- 2.94   1.330% *  0.3004% (0.34 10.00   0.02   0.02) =   0.008%
          HA2   GLY   16 - HD3   LYS+ 121  19.61 +/- 6.56   5.773% *  0.0362% (0.41  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - HD3   LYS+ 121  17.88 +/- 3.02   0.919% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  13.67 +/- 2.00   2.224% *  0.0245% (0.28  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+ 121  24.30 +/- 2.26   0.344% *  0.0873% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 121  24.30 +/- 1.37   0.310% *  0.0833% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  27.07 +/- 3.29   0.243% *  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 = 7.69, residual support = 313.0:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.64 +/- 0.21  89.052% * 99.7211% (0.84  10.0 10.00   7.69 312.99) =  99.993%  kept
          QG2   VAL  107 - HB3   LYS+ 121   9.89 +/- 2.73   2.711% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HB3   LYS+ 121   7.79 +/- 0.52   4.086% *  0.0308% (0.26   1.0  1.00   0.02   7.26) =   0.001%
          HG13  ILE  103 - HB3   LYS+ 121  15.77 +/- 6.22   2.535% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 121  17.46 +/- 2.99   0.667% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   LYS+ 121  20.01 +/- 5.32   0.948% *  0.0277% (0.23   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 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.03, residual support = 313.0:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.46 +/- 0.18  94.480% * 99.5295% (0.84  10.0 10.00   7.03 312.99) =  99.994%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  14.89 +/- 3.29   0.972% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - HB3   LYS+ 121   8.27 +/- 0.32   2.658% *  0.0484% (0.41   1.0  1.00   0.02   4.39) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  11.65 +/- 0.77   0.938% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  20.14 +/- 5.48   0.952% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.76, residual support = 313.0:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  97.048% * 97.1314% (0.84  10.0 10.00   8.76 312.99) =  99.992%  kept
        T QD    LYS+  38 - HB3   LYS+ 121  17.10 +/- 5.45   0.318% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HB3   LYS+ 121  14.60 +/- 2.76   0.275% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HB3   LYS+ 121  17.64 +/- 6.25   0.237% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB3   LYS+ 121  16.75 +/- 2.93   0.165% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+ 121   7.15 +/- 0.47   1.488% *  0.0300% (0.26   1.0  1.00   0.02   4.39) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  17.81 +/- 2.27   0.110% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  14.21 +/- 1.45   0.211% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  25.34 +/- 4.06   0.041% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.60 +/- 1.67   0.106% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.808, support = 6.71, residual support = 262.4:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.00 +/- 0.30  63.853% * 59.1423% (0.84  1.00   6.99 312.99) =  80.455%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.91 +/- 0.59  23.104% * 39.5926% (0.70  1.00   5.60  54.55) =  19.488%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  20.40 +/- 4.77   1.598% *  1.1630% (0.57 10.00   0.02   0.02) =   0.040%
          HB3   ASN   28 - HB3   LYS+ 121  24.42 +/- 6.22  10.924% *  0.0759% (0.37  1.00   0.02   0.02) =   0.018%
          HB3   ASP-  78 - HB3   LYS+ 121  24.15 +/- 2.98   0.522% *  0.0261% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.832, support = 8.17, residual support = 308.0:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.65 +/- 0.19  82.518% * 84.1835% (0.84  10.0 10.00   8.22 312.99) =  98.399%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.03 +/- 0.33   7.425% * 15.1199% (0.64   1.0  1.00   4.70   2.58) =   1.590%  kept
          QB    SER  117 - HB3   LYS+ 121   6.65 +/- 1.06   6.833% *  0.0703% (0.70   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HB3   LYS+ 121  15.66 +/- 2.25   0.518% *  0.2872% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB3   LYS+ 121  16.99 +/- 2.69   0.428% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB3   LYS+ 121  12.37 +/- 1.87   1.143% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  18.79 +/- 5.46   0.759% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  23.34 +/- 2.53   0.144% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  23.42 +/- 1.91   0.134% *  0.0796% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  26.61 +/- 3.15   0.099% *  0.0346% (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 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.785, support = 8.6, residual support = 313.0:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  67.053% * 55.3563% (0.84  10.0 10.00   8.76 312.99) =  73.458%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.35 +/- 0.35  31.272% * 42.8727% (0.65  10.0 10.00   8.15 312.99) =  26.533%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  12.23 +/- 3.46   0.430% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.27 +/- 2.63   0.200% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  17.43 +/- 2.92   0.104% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  13.68 +/- 6.77   0.500% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  17.51 +/- 2.40   0.088% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.42 +/- 2.52   0.172% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  18.70 +/- 4.00   0.181% *  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 = 0.754, support = 7.97, residual support = 307.8:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.65 +/- 0.19  36.050% * 52.0655% (0.84  10.0 10.00   8.22 312.99) =  66.376%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.47 +/- 0.63  21.520% * 40.3240% (0.65   1.0 10.00   7.67 312.99) =  30.687%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.06 +/- 0.76  30.676% *  2.2150% (0.04  10.0 10.00   5.38 158.63) =   2.403%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.30 +/- 0.97   3.860% *  3.7757% (0.06   1.0 10.00   5.53  30.94) =   0.515%  kept
        T QD    LYS+  66 - HA    LYS+ 121  13.52 +/- 3.64   0.408% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.009%
        T HD3   LYS+  74 - HA    LYS+  65   8.59 +/- 2.97   3.497% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - HA    LYS+ 121  17.08 +/- 2.57   0.197% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+ 121  19.78 +/- 2.92   0.103% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    LYS+ 121  14.59 +/- 7.24   0.599% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  20.00 +/- 4.42   0.372% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.11 +/- 2.08   0.182% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.66 +/- 2.25   0.229% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.14 +/- 2.67   0.225% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  19.77 +/- 2.28   0.098% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.89 +/- 1.95   1.314% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.29 +/- 2.06   0.396% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.83 +/- 3.63   0.191% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.53 +/- 2.11   0.084% *  0.0028% (0.05   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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.978, support = 6.64, residual support = 309.5:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   3.98 +/- 0.63  22.376% * 97.6597% (1.00   1.0 10.00   6.68 312.99) =  97.747%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.03 +/- 0.52  41.088% *  1.2130% (0.01  10.0 10.00   5.27 158.63) =   2.229%  kept
          QB    ALA   12 - HA    LYS+ 121  22.37 +/- 5.36   1.795% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HA    LYS+ 121  21.50 +/- 5.31   0.316% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - HA    LYS+ 121  15.58 +/- 5.16   0.631% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    LYS+ 121  17.12 +/- 2.43   0.272% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+  65   9.28 +/- 2.02   4.107% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  17.01 +/- 2.94   0.362% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  12.70 +/- 3.63   1.089% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+ 121  18.99 +/- 3.94   0.355% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  19.69 +/- 2.87   0.200% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    LYS+ 121  15.49 +/- 1.64   0.366% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   5.72 +/- 1.08   9.693% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+  65  10.85 +/- 4.65   4.288% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  14.22 +/- 1.34   0.438% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  14.95 +/- 3.77   0.652% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+  65   6.09 +/- 0.95   6.883% *  0.0012% (0.01   1.0  1.00   0.02   0.41) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  27.07 +/- 3.90   0.065% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  16.22 +/- 3.37   0.360% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.12 +/- 3.23   0.290% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.60 +/- 4.82   0.066% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  14.81 +/- 2.93   0.565% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.91 +/- 3.37   0.571% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.78 +/- 2.20   1.414% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  18.37 +/- 2.73   0.248% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.63 +/- 2.30   0.295% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  11.38 +/- 1.66   0.984% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  18.89 +/- 3.04   0.232% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 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, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 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 = 6.18, residual support = 223.2:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  83.739% * 92.4020% (1.00  10.0 10.00   6.19 223.81) =  99.695%  kept
          QB    GLU- 114 - HB3   LEU  115   5.31 +/- 0.66   3.540% *  6.3885% (0.31   1.0  1.00   4.48  20.84) =   0.291%  kept
        T HB2   LEU   67 - HB3   LEU  115  13.28 +/- 3.22   0.742% *  0.7399% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HG3   PRO   58 - HB3   LEU  115  10.13 +/- 2.50   2.311% *  0.0922% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   67 - HB3   LEU   40   8.14 +/- 2.22   1.921% *  0.0868% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  115 - HB3   LEU   40  15.61 +/- 3.28   0.321% *  0.1084% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.44 +/- 3.04   5.073% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  15.73 +/- 3.41   0.422% *  0.0414% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.95 +/- 2.42   0.433% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.77 +/- 3.39   0.163% *  0.0486% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  17.02 +/- 2.75   0.138% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.46 +/- 3.98   0.382% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.77 +/- 2.72   0.459% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  19.40 +/- 2.65   0.075% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  15.85 +/- 3.64   0.240% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.67 +/- 3.26   0.042% *  0.0030% (0.03   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 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 = 7.16, residual support = 237.7:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  96.714% * 98.3538% (1.00  10.0 10.00   7.16 237.75) =  99.997%  kept
        T HB    VAL   42 - HB3   LYS+ 112  15.51 +/- 2.55   0.188% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HB3   LYS+ 112   8.50 +/- 1.91   1.708% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HB3   LYS+ 112  18.76 +/- 4.20   0.141% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.75 +/- 2.68   0.142% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.55 +/- 1.15   0.121% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  12.59 +/- 2.47   0.461% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  17.27 +/- 2.91   0.156% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  25.88 +/- 5.62   0.061% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.20 +/- 1.25   0.030% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  26.64 +/- 3.14   0.032% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.94 +/- 1.98   0.103% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  18.60 +/- 1.36   0.085% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.22 +/- 2.00   0.060% *  0.0335% (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 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 = 0.916, support = 4.5, residual support = 237.5:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  81.750% * 54.1518% (0.95  10.0   4.33 237.75) =  86.823%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.32 +/- 0.51  16.078% * 41.3843% (0.72  10.0   5.63 237.75) =  13.050%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.03 +/- 1.69   1.479% *  4.3502% (0.36   1.0   4.28  28.58) =   0.126%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.39 +/- 2.55   0.514% *  0.0434% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  22.33 +/- 5.00   0.071% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  18.62 +/- 4.18   0.109% *  0.0167% (0.29   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 = 0.996, support = 6.77, residual support = 311.4:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  73.620% * 96.6410% (1.00  10.0   6.83 314.55) =  99.000%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.51 +/- 1.38  25.725% *  2.7933% (0.57   1.0   1.02   0.02) =   1.000%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.73 +/- 1.11   0.265% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.28 +/- 3.68   0.060% *  0.0838% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  21.90 +/- 4.19   0.116% *  0.0397% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  24.98 +/- 3.28   0.029% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  25.30 +/- 3.00   0.028% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  28.25 +/- 4.75   0.027% *  0.0867% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  22.82 +/- 2.66   0.037% *  0.0470% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  24.75 +/- 3.61   0.032% *  0.0470% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  23.81 +/- 3.19   0.035% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.09 +/- 2.84   0.025% *  0.0269% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 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, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 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 = 4.61, residual support = 60.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.38 +/- 0.44  95.525% * 99.7711% (1.00  10.0 10.00   4.61  60.17) =  99.998%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.87 +/- 1.26   1.205% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    VAL  107  18.71 +/- 3.60   0.575% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HA    VAL  107  13.27 +/- 2.62   1.000% *  0.0154% (0.15   1.0  1.00   0.02   0.14) =   0.000%
          HG13  ILE  119 - HA    VAL  107  12.35 +/- 2.18   0.922% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  17.73 +/- 3.45   0.449% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.44 +/- 3.42   0.326% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 60.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.62 +/- 0.24  92.435% * 99.7501% (1.00  10.0 10.00   3.62  60.17) =  99.994%  kept
          HG2   LYS+ 121 - HA    VAL  107  13.34 +/- 5.74   3.865% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HA    VAL  107  10.51 +/- 0.97   1.638% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  12.35 +/- 2.18   1.421% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.30 +/- 2.24   0.351% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.44 +/- 3.42   0.290% *  0.0135% (0.14   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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.27, residual support = 40.8:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.95 +/- 0.09  64.581% * 83.9225% (1.00  10.0 10.00   3.21  41.89) =  94.441%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.38 +/- 0.30  20.608% * 15.4429% (0.87   1.0  1.00   4.24  23.02) =   5.545%  kept
          HB    ILE  103 - HA    ASP- 105   6.48 +/- 0.57   6.607% *  0.0832% (0.99   1.0  1.00   0.02   3.00) =   0.010%
          HG12  ILE  103 - HA    ASP- 105   6.81 +/- 0.52   5.504% *  0.0129% (0.15   1.0  1.00   0.02   3.00) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  19.13 +/- 3.67   0.325% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.52 +/- 1.88   0.255% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  18.08 +/- 4.89   0.483% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.46 +/- 2.53   0.153% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  17.96 +/- 2.57   0.339% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  22.20 +/- 1.59   0.158% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  23.29 +/- 2.84   0.150% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  18.53 +/- 2.27   0.303% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.04 +/- 3.00   0.360% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  22.25 +/- 2.74   0.175% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.18 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 = 41.9:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.628% * 99.5527% (0.95  10.0 10.00   3.35  41.89) =  99.999%  kept
          HB2   MET   96 - HB3   ASP- 105   8.97 +/- 0.57   0.768% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  13.16 +/- 1.48   0.264% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  12.37 +/- 3.87   0.749% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  21.30 +/- 1.66   0.059% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  14.23 +/- 2.83   0.256% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.27 +/- 1.46   0.093% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.32 +/- 3.77   0.076% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  19.48 +/- 3.09   0.107% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.98, residual support = 141.7:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  48.900% * 66.9933% (1.00  10.0  1.00   4.87 135.65) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  48.900% * 32.5339% (0.49  10.0  1.00   5.22 154.24) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  13.42 +/- 2.46   0.152% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65   9.11 +/- 3.47   1.117% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.19 +/- 1.97   0.243% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  20.16 +/- 3.42   0.042% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  17.72 +/- 4.05   0.115% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.43 +/- 1.88   0.034% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.19 +/- 2.25   0.032% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.03 +/- 3.55   0.046% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.54 +/- 4.84   0.030% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  19.60 +/- 2.58   0.043% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.62 +/- 2.66   0.101% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.19 +/- 2.57   0.056% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  18.73 +/- 3.66   0.055% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  23.42 +/- 2.78   0.023% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  24.46 +/- 4.84   0.026% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.31 +/- 2.39   0.039% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  26.95 +/- 3.18   0.016% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.60 +/- 2.75   0.029% *  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 = 138.1:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  95.087% * 81.2175% (0.80  10.0 10.00   4.31 138.86) =  99.322%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.05 +/- 0.78   2.874% * 18.2684% (0.73   1.0  1.00   4.96  23.47) =   0.675%  kept
          HB    VAL   41 - HG13  ILE  103   9.02 +/- 2.12   0.992% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG13  ILE  103  16.48 +/- 4.49   0.353% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  15.56 +/- 3.71   0.224% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  17.04 +/- 3.36   0.205% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  17.05 +/- 1.07   0.108% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  21.30 +/- 4.39   0.110% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.88 +/- 2.17   0.047% *  0.0534% (0.53   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 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 = 5.66, residual support = 187.0:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  94.660% * 99.4757% (0.80  10.0   5.66 187.00) =  99.997%  kept
          HG2   LYS+  65 - HB3   LYS+  74  10.30 +/- 2.40   1.352% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74   9.50 +/- 2.14   0.829% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  13.60 +/- 2.99   0.400% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  10.46 +/- 2.62   1.147% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  14.67 +/- 3.13   0.277% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  13.15 +/- 3.08   0.666% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  16.92 +/- 2.87   0.148% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  13.82 +/- 3.12   0.383% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  18.16 +/- 3.56   0.138% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 5.17, residual support = 217.3:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.081% * 99.3078% (1.00  10.0 10.00   5.17 217.29) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  24.23 +/- 4.15   0.050% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  17.86 +/- 4.00   0.208% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  14.33 +/- 2.80   0.269% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  18.00 +/- 4.74   0.212% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  23.41 +/- 3.75   0.054% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  22.61 +/- 3.77   0.064% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  22.93 +/- 5.35   0.062% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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, 50.60 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, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.2:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.01  90.687% * 99.6237% (1.00  10.0 10.00   2.81  24.16) =  99.994%  kept
          HA1   GLY   51 - QB    ALA   57   8.69 +/- 1.68   4.495% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  79 - QB    ALA   57  15.22 +/- 3.85   0.626% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  12.60 +/- 2.01   0.900% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.73 +/- 2.25   1.908% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.54 +/- 3.33   0.766% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  18.85 +/- 2.16   0.153% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.11 +/- 1.99   0.170% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.58 +/- 3.24   0.177% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  24.38 +/- 5.53   0.119% *  0.0154% (0.15   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 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, 56.43 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 = 10.1:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.078% * 97.5263% (1.00  10.0 10.00   2.81  10.15) =  99.997%  kept
          HA    ALA   57 - HA2   GLY   51  10.24 +/- 1.61   1.023% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   85 - HA2   GLY   51  19.57 +/- 3.80   0.137% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   39 - HA2   GLY   51  29.00 +/- 3.16   0.026% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.03 +/- 2.30   0.033% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  20.89 +/- 2.79   0.079% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.18 +/- 3.99   0.129% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  14.36 +/- 2.74   0.247% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.13 +/- 1.45   0.169% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  33.91 +/- 8.68   0.079% *  0.0366% (0.38   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 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 = 64.8:
    * O   QG2   VAL   24 - QG1   VAL   24   2.04 +/- 0.06  96.938% * 99.5951% (1.00  10.0  1.00   2.70  64.79) =  99.993%  kept
        T QG1   VAL  107 - QG1   VAL   24  14.94 +/- 3.44   2.278% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   63 - QG1   VAL   24  16.58 +/- 3.22   0.421% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  19.94 +/- 5.44   0.363% *  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, 31.51 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 58.05 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 = 6.53, residual support = 159.5:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  86.151% * 99.4743% (1.00  10.0 10.00   6.53 159.47) =  99.994%  kept
          HB3   HIS  122 - HG3   GLN   30  18.93 +/- 5.43  11.927% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASN   28 - HG3   GLN   30   8.52 +/- 0.71   0.847% *  0.0918% (0.92   1.0  1.00   0.02  17.39) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  18.71 +/- 5.61   0.311% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  25.76 +/- 3.56   0.033% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.34 +/- 2.26   0.067% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  14.22 +/- 2.76   0.255% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.11 +/- 1.55   0.102% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.14 +/- 1.46   0.121% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  27.87 +/- 4.67   0.032% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.58 +/- 2.66   0.050% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.80 +/- 1.53   0.107% *  0.0026% (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 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 = 4.58, residual support = 154.1:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.83 +/- 0.49  68.816% * 98.8097% (1.00  10.0   4.58 154.24) =  99.937%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.31 +/- 1.32  11.463% *  0.3041% (0.31   1.0   0.20   0.02) =   0.051%
          HB2   ASN   28 - HG2   LYS+  33   9.35 +/- 0.89   2.457% *  0.0969% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   8.27 +/- 0.73   3.414% *  0.0337% (0.34   1.0   0.02   5.20) =   0.002%
          HB2   ASP-  86 - QG    LYS+  81   9.25 +/- 0.54   2.364% *  0.0325% (0.33   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+  33  17.14 +/- 3.98   0.849% *  0.0886% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  16.87 +/- 6.06   1.039% *  0.0412% (0.42   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.41 +/- 1.28   3.537% *  0.0105% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - QG    LYS+  81  18.83 +/- 6.13   0.771% *  0.0464% (0.47   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+ 106  20.21 +/- 3.73   0.612% *  0.0537% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.17 +/- 4.69   0.404% *  0.0639% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  24.82 +/- 7.93   0.277% *  0.0679% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.32 +/- 2.21   0.278% *  0.0599% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  17.83 +/- 2.87   0.370% *  0.0424% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  21.23 +/- 3.39   0.248% *  0.0587% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  14.67 +/- 2.59   0.910% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.82 +/- 4.34   0.258% *  0.0473% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.19 +/- 4.31   0.484% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.11 +/- 2.78   0.217% *  0.0388% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.05 +/- 2.80   0.262% *  0.0204% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.85 +/- 5.17   0.247% *  0.0161% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.35 +/- 2.42   0.288% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.19 +/- 3.52   0.318% *  0.0092% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  25.15 +/- 2.71   0.116% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.64, residual support = 154.2:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.26 +/- 0.08  98.289% * 98.2551% (1.00  10.0 10.00   5.64 154.24) =  99.997%  kept
        T QG    LYS+  81 - QB    LYS+  33  21.53 +/- 4.63   0.175% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 106 - QB    LYS+  33  19.97 +/- 1.88   0.161% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  33  16.78 +/- 2.31   0.492% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.77 +/- 2.68   0.507% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  19.70 +/- 4.22   0.290% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.27 +/- 3.00   0.086% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.973, support = 4.81, residual support = 215.5:
    *     QE    LYS+  38 - HA    LYS+  38   4.43 +/- 0.97  34.573% * 93.8573% (1.00  1.00   4.84 221.17) =  96.951%  kept
          QE    LYS+  99 - HA    GLU- 100   5.71 +/- 1.02  21.261% *  4.3935% (0.05  1.00   4.18  39.76) =   2.791%  kept
          QE    LYS+  99 - HA    LYS+  38   8.25 +/- 3.48  15.934% *  0.3481% (0.90  1.00   0.02   0.02) =   0.166%  kept
          QE    LYS+ 102 - HA    LYS+  38  13.89 +/- 4.91   3.544% *  0.3583% (0.92  1.00   0.02   0.02) =   0.038%
        T HB3   TRP   27 - HA    LYS+  38  14.79 +/- 1.60   1.420% *  0.8641% (0.22 10.00   0.02   0.02) =   0.037%
          QE    LYS+  38 - HA    GLU- 100   9.16 +/- 4.72  11.976% *  0.0235% (0.06  1.00   0.02   0.02) =   0.008%
          QE    LYS+ 102 - HA    GLU- 100   8.80 +/- 1.23   6.613% *  0.0216% (0.06  1.00   0.02   0.02) =   0.004%
          HB2   PHE   97 - HA    LYS+  38  14.57 +/- 1.69   1.238% *  0.0768% (0.20  1.00   0.02   0.02) =   0.003%
        T HB3   TRP   27 - HA    GLU- 100  15.63 +/- 3.29   1.019% *  0.0522% (0.01 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    GLU- 100  11.30 +/- 0.77   2.422% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 0.904, support = 4.72, residual support = 156.7:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.61 +/- 0.40  47.163% * 54.8141% (1.00  10.0 10.00   4.36 158.63) =  57.374%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.70 +/- 0.58  45.224% * 42.4513% (0.77  10.0 10.00   5.20 154.24) =  42.607%  kept
        T QE    LYS+  65 - HG3   LYS+  33  17.23 +/- 3.91   0.573% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  33 - HG3   LYS+  65  16.40 +/- 3.51   0.349% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  33 - HG3   LYS+ 102  17.74 +/- 3.33   0.203% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+ 106  19.53 +/- 3.94   0.280% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.46 +/- 0.46   2.162% *  0.0287% (0.52   1.0  1.00   0.02   5.20) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.66 +/- 4.47   0.128% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.64 +/- 1.09   1.079% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.51 +/- 1.96   0.122% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  65  21.64 +/- 4.77   0.330% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  15.95 +/- 5.52   0.361% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.75 +/- 3.99   0.184% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.99 +/- 3.57   0.464% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  21.23 +/- 7.96   0.198% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  16.92 +/- 6.08   0.373% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.80 +/- 5.10   0.160% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  23.12 +/- 3.20   0.080% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  24.94 +/- 7.41   0.088% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.45 +/- 3.25   0.133% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.53 +/- 4.34   0.096% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.15 +/- 2.60   0.105% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.80 +/- 2.63   0.096% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.44 +/- 3.59   0.048% *  0.0167% (0.31   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 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 = 4.47, residual support = 92.2:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.30 +/- 0.07  92.973% * 99.1144% (1.00  10.0 10.00   4.47  92.19) =  99.997%  kept
          QG    GLU-  14 - HG3   GLU-  29  13.56 +/- 4.45   2.823% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG3   GLU-  29  13.97 +/- 4.38   2.423% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   90 - HG3   GLU-  29  24.81 +/- 5.00   0.104% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   GLU-  29  18.34 +/- 4.00   0.492% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  24.97 +/- 4.72   0.205% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  14.82 +/- 1.92   0.399% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.20 +/- 3.91   0.148% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  19.46 +/- 4.17   0.211% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  28.58 +/- 2.73   0.055% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  19.54 +/- 1.69   0.167% *  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 = 4.17, residual support = 92.2:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.559% * 99.6674% (1.00  10.0 10.00   4.17  92.19) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  23.89 +/- 8.59   0.096% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  23.83 +/- 4.21   0.098% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  21.89 +/- 2.57   0.062% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  25.57 +/- 5.39   0.061% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  20.40 +/- 3.10   0.077% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.34 +/- 3.01   0.046% *  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 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.0:
    * O T QG    GLN   17 - HB3   GLN   17   2.35 +/- 0.12  95.740% * 98.5118% (0.76  10.0 10.00   4.31  84.98) =  99.977%  kept
        T HB    VAL   70 - HB3   GLN   17  10.95 +/- 3.85   1.821% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.021%
          HB2   GLU-  25 - HB3   GLN   17  16.36 +/- 4.31   1.558% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLN   17  18.76 +/- 2.67   0.223% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  18.22 +/- 5.01   0.310% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.43 +/- 3.47   0.187% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  22.26 +/- 3.27   0.161% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.8:
    * O T HA    GLN   17 - HB3   GLN   17   2.80 +/- 0.19  77.420% * 98.6717% (1.00  10.0 10.00   4.00  84.98) =  99.810%  kept
          HA    GLU-  15 - HB3   GLN   17   5.23 +/- 0.68  15.174% *  0.9272% (0.57   1.0  1.00   0.33   0.02) =   0.184%  kept
          HA    SER   13 - HB3   GLN   17   9.40 +/- 1.74   4.407% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   46 - HB3   GLN   17  19.87 +/- 4.09   0.592% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   GLN   17  16.44 +/- 3.31   0.523% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   GLN   17  16.43 +/- 2.94   0.690% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  15.79 +/- 2.58   0.521% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  15.18 +/- 3.05   0.672% *  0.0370% (0.38   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 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 84.7:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  91.514% * 89.1902% (1.00  10.0 10.00   4.14  84.98) =  99.688%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.16 +/- 0.65   2.537% *  9.3535% (1.00   1.0 10.00   0.21   0.02) =   0.290%  kept
        T HB3   PRO   68 - HB3   GLN   17  12.15 +/- 5.32   1.888% *  0.7142% (0.80   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   GLN   30 - HB3   GLN   17  11.41 +/- 2.38   0.893% *  0.3667% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HB3   GLN   17   7.93 +/- 0.70   1.060% *  0.0505% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HB3   GLN   17  17.07 +/- 4.50   0.545% *  0.0844% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB3   GLN   17  12.77 +/- 4.01   0.750% *  0.0434% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.06 +/- 2.05   0.525% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  20.80 +/- 3.23   0.068% *  0.0577% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.78 +/- 3.61   0.036% *  0.0884% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.35 +/- 3.97   0.124% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.67 +/- 3.37   0.060% *  0.0199% (0.22   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 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 = 0.873, support = 3.27, residual support = 45.9:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.78 +/- 0.19  56.201% * 72.0932% (1.00  10.0 10.00   3.08  45.40) =  79.772%  kept
      O T HG3   MET   11 - HA    MET   11   3.29 +/- 0.59  38.309% * 26.7625% (0.37  10.0 10.00   4.00  47.81) =  20.186%  kept
        T HG3   MET   11 - HA    GLU-  14  10.16 +/- 1.61   2.176% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.029%
        T HB3   GLU-  14 - HA    MET   11   9.61 +/- 1.74   2.229% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.012%
          HB2   LEU   40 - HA    GLU-  14  16.75 +/- 3.88   0.361% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.87 +/- 1.68   0.107% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.85 +/- 4.04   0.199% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.64 +/- 5.17   0.140% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.75 +/- 4.32   0.061% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  28.12 +/- 6.30   0.123% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.64 +/- 2.83   0.055% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.51 +/- 5.03   0.040% *  0.0044% (0.06   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 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 = 63.1:
    * O T HB2   MET   92 - HA    MET   92   2.86 +/- 0.24  87.955% * 99.5277% (1.00  10.0 10.00   3.87  63.14) =  99.995%  kept
          HB    ILE   56 - HA    MET   92  12.31 +/- 3.56   2.567% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HA    MET   92   7.78 +/- 0.79   5.381% *  0.0197% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          HB3   PRO   58 - HA    MET   92  16.36 +/- 3.73   0.927% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    MET   92  13.46 +/- 2.07   1.368% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.63 +/- 0.91   1.149% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  22.21 +/- 2.50   0.232% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.70 +/- 1.75   0.095% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.93 +/- 2.04   0.152% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  34.38 +/- 4.83   0.070% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.38 +/- 2.77   0.104% *  0.0154% (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 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.25, residual support = 60.7:
    * O T HB3   MET   92 - HA    MET   92   2.73 +/- 0.16  75.837% * 83.8422% (1.00  10.0 10.00   4.22  63.14) =  96.071%  kept
          HG3   PRO   93 - HA    MET   92   4.57 +/- 0.26  16.706% * 15.5396% (0.76   1.0  1.00   4.85   1.94) =   3.922%  kept
          HD2   LYS+ 111 - HA    MET   92  12.32 +/- 3.81   3.472% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HA    MET   92  13.24 +/- 1.55   0.765% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  16.85 +/- 3.18   0.490% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  10.82 +/- 2.88   2.199% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    MET   92  26.40 +/- 1.69   0.091% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.49 +/- 0.79   0.140% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.86 +/- 2.01   0.138% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.87 +/- 1.75   0.162% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 63.1:
    * O T HG2   MET   92 - HA    MET   92   3.12 +/- 0.43  70.079% * 99.5593% (1.00  10.0 10.00   2.49  63.14) =  99.971%  kept
          HG2   PRO   52 - HA    MET   92   7.63 +/- 4.79  26.420% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.024%
          QG    GLU- 114 - HA    MET   92  11.50 +/- 2.43   2.117% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    MET   92  14.45 +/- 1.68   0.933% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    MET   92  25.89 +/- 3.48   0.241% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.92 +/- 2.25   0.080% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  30.58 +/- 4.06   0.129% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 63.1:
    * O T HG3   MET   92 - HA    MET   92   2.73 +/- 0.77  87.289% * 99.3565% (1.00  10.0 10.00   3.97  63.14) =  99.989%  kept
        T HB2   ASP-  44 - HA    MET   92  11.19 +/- 1.78   2.779% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          QG    GLN   90 - HA    MET   92   8.02 +/- 0.44   5.894% *  0.0339% (0.34   1.0  1.00   0.02   0.17) =   0.002%
          HB3   ASP-  76 - HA    MET   92  13.06 +/- 1.77   1.304% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    MET   92  16.16 +/- 1.76   0.838% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  17.56 +/- 1.19   0.520% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  26.43 +/- 2.85   0.200% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  18.52 +/- 2.52   0.616% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.06 +/- 0.78   0.152% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  24.79 +/- 2.77   0.210% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  25.49 +/- 3.29   0.199% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 1.89, residual support = 5.89:
          HB    VAL  108 - QB    LYS+ 106   4.25 +/- 0.23  78.561% * 80.6812% (0.92  1.00   1.90   5.93) =  99.392%  kept
          HB    ILE  119 - QB    LYS+ 106  14.33 +/- 2.87   2.926% *  6.1045% (1.00  1.00   0.13   0.02) =   0.280%  kept
        T HB2   GLN   30 - QB    LYS+ 106  16.97 +/- 1.97   1.427% *  9.2074% (1.00 10.00   0.02   0.02) =   0.206%  kept
          HB2   PRO   93 - QB    LYS+ 106  11.69 +/- 0.97   4.156% *  0.5213% (0.57  1.00   0.02   0.02) =   0.034%
          HB3   GLU- 100 - QB    LYS+ 106  15.27 +/- 0.80   1.787% *  0.9126% (0.99  1.00   0.02   0.02) =   0.026%
          HB2   LYS+ 111 - QB    LYS+ 106  11.37 +/- 2.08   6.193% *  0.2050% (0.22  1.00   0.02   0.02) =   0.020%
          HB2   ARG+  54 - QB    LYS+ 106  18.40 +/- 2.22   1.276% *  0.7987% (0.87  1.00   0.02   0.02) =   0.016%
          HG3   GLN   30 - QB    LYS+ 106  18.33 +/- 2.40   1.248% *  0.7987% (0.87  1.00   0.02   0.02) =   0.016%
          HB3   PRO   68 - QB    LYS+ 106  19.41 +/- 2.62   1.038% *  0.4482% (0.49  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - QB    LYS+ 106  20.92 +/- 1.63   0.707% *  0.1613% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QB    LYS+ 106  21.67 +/- 2.13   0.681% *  0.1613% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 0 structures by 0.75 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.4:
      O   HN    ASP-  76 - HA    VAL   75   2.21 +/- 0.04  97.201% * 99.8873% (0.76  10.0   4.64  26.36) =  99.998%  kept
          HN    HIS   22 - HA    VAL   75  10.77 +/- 4.62   2.564% *  0.0636% (0.49   1.0   0.02   0.02) =   0.002%
          HN    VAL  108 - HA    VAL   75  17.00 +/- 1.64   0.234% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 82.4:
      O   HN    VAL   75 - HA    VAL   75   2.90 +/- 0.03  93.571% * 92.9585% (0.90  10.0   5.24  82.86) =  99.482%  kept
          HN    ASP-  78 - HA    VAL   75   7.12 +/- 0.28   6.429% *  7.0415% (0.95   1.0   1.44   0.35) =   0.518%  kept
    Distance limit 3.82 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 = 0.457, support = 0.738, residual support = 17.9:
          HA    PHE   45 - HB    VAL   75   4.72 +/- 1.85  77.368% * 89.9031% (0.45   0.75  18.17) =  98.359%  kept
          HA    VAL   41 - HB    VAL   75   9.95 +/- 1.42  19.310% *  5.1606% (0.97   0.02   0.02) =   1.409%  kept
          HA    HIS  122 - HB    VAL   75  18.18 +/- 2.43   3.322% *  4.9363% (0.92   0.02   0.02) =   0.232%  kept
    Distance limit 3.77 A violated in 8 structures by 1.16 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.14, residual support = 18.2:
          QD    PHE   45 - HB    VAL   75   4.53 +/- 1.24  93.534% * 98.5839% (0.87   2.14  18.17) =  99.950%  kept
          HD2   HIS  122 - HB    VAL   75  15.59 +/- 2.15   4.275% *  0.7293% (0.69   0.02   0.02) =   0.034%
          HE22  GLN  116 - HB    VAL   75  19.45 +/- 3.04   2.192% *  0.6868% (0.65   0.02   0.02) =   0.016%
    Distance limit 3.85 A violated in 4 structures by 0.76 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.793, support = 0.02, residual support = 1.77:
        T HZ    PHE   72 - HB    VAL   75   6.30 +/- 0.91  66.258% * 97.5882% (0.80 10.00   0.02   1.78) =  98.757%  kept
          HZ2   TRP   27 - HB    VAL   75   9.55 +/- 2.98  33.742% *  2.4118% (0.20  1.00   0.02   0.97) =   1.243%  kept
    Distance limit 4.22 A violated in 13 structures by 1.70 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 4.45, residual support = 82.8:
      O   HN    VAL   75 - HB    VAL   75   2.43 +/- 0.42  96.688% * 97.1982% (0.99  10.0   4.45  82.86) =  99.901%  kept
          HN    ASP-  78 - HB    VAL   75   8.16 +/- 0.46   3.312% *  2.8018% (0.65   1.0   0.88   0.35) =   0.099%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.351, support = 2.45, residual support = 17.7:
        T QE    PHE   45 - QG1   VAL   75   3.14 +/- 0.56  74.247% * 85.2271% (0.34 10.00   2.49  18.17) =  97.087%  kept
          QD    PHE   72 - QG1   VAL   75   6.17 +/- 0.86  12.715% *  8.6160% (0.53  1.00   1.31   1.78) =   1.681%  kept
          HZ    PHE   72 - QG1   VAL   75   6.86 +/- 0.82  13.039% *  6.1569% (0.90  1.00   0.55   1.78) =   1.232%  kept
    Distance limit 3.38 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 18.2:
          QD    PHE   45 - QG1   VAL   75   2.75 +/- 0.71  95.902% * 99.5846% (1.00   3.12  18.17) =  99.991%  kept
          HD2   HIS  122 - QG1   VAL   75  13.86 +/- 2.34   2.078% *  0.2181% (0.34   0.02   0.02) =   0.005%
          HE22  GLN  116 - QG1   VAL   75  16.80 +/- 2.89   2.021% *  0.1973% (0.31   0.02   0.02) =   0.004%
    Distance limit 3.46 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.91, residual support = 73.4:
          HN    VAL   75 - QG1   VAL   75   3.27 +/- 0.41  78.625% * 67.8095% (0.90   5.24  82.86) =  88.570%  kept
          HN    ASP-  78 - QG1   VAL   75   5.33 +/- 0.52  21.375% * 32.1905% (0.95   2.36   0.35) =  11.430%  kept
    Distance limit 3.92 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 = 26.3:
          HN    ASP-  76 - QG1   VAL   75   3.14 +/- 0.41  90.868% * 99.1032% (0.41   4.97  26.36) =  99.970%  kept
          HN    HIS   22 - QG1   VAL   75  10.95 +/- 3.21   7.247% *  0.1921% (0.20   0.02   0.02) =   0.015%
          HN    VAL  108 - QG1   VAL   75  12.20 +/- 1.58   1.885% *  0.7048% (0.73   0.02   0.02) =   0.015%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.762, support = 0.747, residual support = 2.23:
          HB2   CYS   21 - QG2   VAL   75   7.76 +/- 5.21  60.222% * 98.7151% (0.76   0.75   2.24) =  99.585%  kept
          QE    LYS+  81 - QG2   VAL   75  10.76 +/- 1.33  29.980% *  0.6032% (0.18   0.02   0.02) =   0.303%  kept
          QE    LYS+ 111 - QG2   VAL   75  15.31 +/- 2.33   9.798% *  0.6817% (0.20   0.02   0.02) =   0.112%  kept
    Distance limit 3.76 A violated in 13 structures by 2.79 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.654, support = 0.75, residual support = 12.2:
          HZ    PHE   45 - QG2   VAL   75   5.12 +/- 1.67  52.214% * 63.0260% (0.76   0.75  18.17) =  65.066%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.12 +/- 2.99  47.786% * 36.9740% (0.45   0.75   0.97) =  34.934%  kept
    Distance limit 3.45 A violated in 4 structures by 0.82 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.938, support = 1.87, residual support = 14.2:
          QE    PHE   45 - QG2   VAL   75   3.83 +/- 1.27  47.949% * 64.6850% (0.97   2.17  18.17) =  75.751%  kept
          QD    PHE   72 - QG2   VAL   75   4.92 +/- 1.26  30.196% * 26.5051% (1.00   0.86   1.78) =  19.547%  kept
          HZ    PHE   72 - QG2   VAL   75   6.28 +/- 1.14  21.854% *  8.8099% (0.25   1.15   1.78) =   4.702%  kept
    Distance limit 3.94 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.717, support = 0.64, residual support = 0.787:
          HE3   TRP   27 - QG2   VAL   75   6.76 +/- 3.06  28.597% * 65.7532% (0.80   0.63   0.97) =  80.526%  kept
          HD2   HIS   22 - QG2   VAL   75  10.96 +/- 4.64  13.736% * 24.3725% (0.20   0.94   0.02) =  14.337%  kept
          QE    PHE   95 - QG2   VAL   75   8.68 +/- 2.02  17.219% *  2.5685% (0.98   0.02   0.02) =   1.894%  kept
          HN    THR   23 - QG2   VAL   75   9.63 +/- 4.00  13.145% *  2.5289% (0.97   0.02   0.02) =   1.424%  kept
          HN    LEU   67 - QG2   VAL   75  10.17 +/- 2.05  17.127% *  1.6951% (0.65   0.02   0.02) =   1.243%  kept
          QD    PHE   55 - QG2   VAL   75  14.25 +/- 1.63   3.569% *  2.2730% (0.87   0.02   0.02) =   0.347%  kept
          HD1   TRP   49 - QG2   VAL   75  12.57 +/- 2.14   6.607% *  0.8088% (0.31   0.02   0.02) =   0.229%  kept
    Distance limit 3.65 A violated in 11 structures by 1.69 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 4.83, residual support = 79.5:
          HN    VAL   75 - QG2   VAL   75   3.26 +/- 0.46  85.923% * 79.3645% (0.90   4.98  82.86) =  95.914%  kept
          HN    ASP-  78 - QG2   VAL   75   6.96 +/- 0.79  14.077% * 20.6355% (0.95   1.23   0.35) =   4.086%  kept
    Distance limit 3.67 A violated in 0 structures by 0.03 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   6.01 +/- 1.97  88.714% * 48.3894% (0.61   0.02   0.02) =  88.053%  kept
          HN    VAL  108 - QG2   VAL   75  13.26 +/- 1.95  11.286% * 51.6106% (0.65   0.02   0.02) =  11.947%  kept
    Distance limit 4.10 A violated in 7 structures by 1.89 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 = 35.7:
      O   HN    ASP-  76 - HB3   ASP-  76   3.31 +/- 0.48  99.372% * 99.4520% (0.15  10.0   3.71  35.69) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  19.45 +/- 1.82   0.628% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.66, residual support = 35.7:
      O   HN    ASP-  76 - HB2   ASP-  76   2.82 +/- 0.46  89.803% * 99.6604% (0.41  10.0   3.66  35.69) =  99.996%  kept
          HN    HIS   22 - HB2   ASP-  76  12.18 +/- 5.78   3.787% *  0.0480% (0.20   1.0   0.02   0.02) =   0.002%
          HN    VAL  108 - HB2   ASP-  76  19.64 +/- 1.65   0.316% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASP-  76 - QE    LYS+  66  15.69 +/- 3.52   1.839% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  19.14 +/- 3.58   0.527% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  11.40 +/- 1.81   2.229% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.88 +/- 3.32   0.679% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.37 +/- 1.79   0.227% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  18.64 +/- 3.00   0.593% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.377, support = 0.594, residual support = 0.588:
          HN    LEU   80 - HA    THR   77   4.46 +/- 1.47  85.443% * 88.0079% (0.38   0.60   0.59) =  99.141%  kept
          HN    CYS   53 - HA    THR   77  13.69 +/- 3.08   8.574% *  4.7494% (0.61   0.02   0.02) =   0.537%  kept
          HN    THR   26 - HA    THR   77  16.59 +/- 4.28   3.958% *  5.0655% (0.65   0.02   0.02) =   0.264%  kept
          HN    ALA   34 - HA    THR   77  20.13 +/- 3.58   2.025% *  2.1772% (0.28   0.02   0.02) =   0.058%
    Distance limit 3.71 A violated in 5 structures by 0.90 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 = 28.3:
      O   HN    ASP-  78 - HA    THR   77   3.52 +/- 0.06  89.953% * 91.7881% (0.65  10.0   4.74  28.59) =  99.011%  kept
          HN    VAL   75 - HA    THR   77   7.60 +/- 0.70  10.047% *  8.2119% (0.99   1.0   1.17   0.74) =   0.989%  kept
    Distance limit 3.97 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 = 4.03, residual support = 37.5:
      O   HN    THR   77 - HA    THR   77   2.82 +/- 0.05 100.000% *100.0000% (0.53  10.0   4.03  37.49) = 100.000%  kept
    Distance limit 3.63 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 = 3.15, residual support = 11.4:
        T QD    PHE   45 - QG2   THR   77   2.92 +/- 0.46 100.000% *100.0000% (0.80 10.00   3.15  11.37) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.7, residual support = 11.6:
          HN    THR   46 - QG2   THR   77   2.82 +/- 0.90  66.892% * 98.2168% (0.87   3.71  11.65) =  99.777%  kept
          HN    MET   92 - QG2   THR   77   6.10 +/- 2.21  25.626% *  0.4196% (0.69   0.02   0.02) =   0.163%  kept
          HN    LYS+  74 - QG2   THR   77   9.06 +/- 1.17   5.123% *  0.5987% (0.98   0.02   0.02) =   0.047%
          HN    LYS+ 112 - QG2   THR   77  13.33 +/- 2.72   1.627% *  0.3214% (0.53   0.02   0.02) =   0.008%
          HN    MET   11 - QG2   THR   77  24.95 +/- 4.08   0.731% *  0.4436% (0.73   0.02   0.02) =   0.005%
    Distance limit 3.52 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.03, residual support = 37.5:
          HN    THR   77 - QG2   THR   77   2.39 +/- 0.61 100.000% *100.0000% (0.87   4.03  37.49) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.616, support = 1.47, residual support = 5.16:
          HA    ALA   20 - HB2   LYS+  74   6.66 +/- 6.23  69.349% * 72.0562% (0.61   1.62   5.95) =  85.368%  kept
          HA    LEU   71 - HB2   LYS+  74   8.70 +/- 1.73  30.651% * 27.9438% (0.64   0.60   0.58) =  14.632%  kept
    Distance limit 3.87 A violated in 2 structures by 0.56 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.771, support = 2.13, residual support = 4.89:
          HA    ALA   20 - HB3   LYS+  74   6.43 +/- 5.83  69.237% * 64.4737% (0.76   2.34   5.95) =  80.333%  kept
          HA    LEU   71 - HB3   LYS+  74   9.00 +/- 1.92  30.763% * 35.5263% (0.80   1.23   0.58) =  19.667%  kept
    Distance limit 3.79 A violated in 3 structures by 0.68 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.0:
      O   HA    LYS+  74 - HB3   LYS+  74   2.82 +/- 0.25  98.346% * 99.8966% (0.80  10.0   6.20 187.00) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  13.66 +/- 1.26   0.931% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  15.56 +/- 1.63   0.724% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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   2.32 +/- 0.09  99.783% * 99.9221% (0.49  10.0 10.00   5.98 132.29) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.74 +/- 2.54   0.217% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.424, support = 1.63, residual support = 1.74:
          HB3   MET   92 - HB3   PRO   93   5.33 +/- 0.58  32.904% * 75.0740% (0.41  1.00   1.81   1.94) =  89.590%  kept
        T HB2   LEU   73 - HB3   PRO   93  14.02 +/- 4.14  10.189% * 11.3936% (0.57 10.00   0.02   0.02) =   4.210%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.07 +/- 3.28  16.618% *  6.2114% (0.31 10.00   0.02   0.02) =   3.743%  kept
          QG1   ILE   56 - HB3   PRO   93   6.61 +/- 2.89  31.769% *  1.8048% (0.90  1.00   0.02   0.02) =   2.079%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.48 +/- 1.69   3.706% *  1.5380% (0.76  1.00   0.02   0.02) =   0.207%  kept
          HB    ILE   89 - HB3   PRO   93  11.35 +/- 1.63   3.585% *  0.7553% (0.38  1.00   0.02   0.02) =   0.098%
          QD    LYS+  99 - HB3   PRO   93  18.87 +/- 0.88   0.664% *  1.6115% (0.80  1.00   0.02   0.02) =   0.039%
          HB3   LYS+  99 - HB3   PRO   93  19.89 +/- 0.70   0.566% *  1.6115% (0.80  1.00   0.02   0.02) =   0.033%
    Distance limit 3.50 A violated in 1 structures by 0.84 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  95.160% * 99.4465% (0.80  10.0   6.01 132.29) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93   9.81 +/- 3.64   1.399% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HB3   PRO   93  10.29 +/- 2.23   1.355% *  0.0605% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HB3   PRO   93  11.11 +/- 2.75   0.633% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HB3   PRO   93   9.32 +/- 2.12   0.995% *  0.0511% (0.41   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HB3   PRO   93  12.91 +/- 1.62   0.273% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  24.68 +/- 2.33   0.038% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  31.02 +/- 4.48   0.025% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.45 +/- 2.35   0.086% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.50 +/- 0.76   0.035% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 5.13, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.71 +/- 0.09 100.000% *100.0000% (0.92  10.0   5.13 132.29) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   6.58 +/- 0.99 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.20 A violated in 17 structures by 2.39 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.941, support = 2.03, residual support = 13.9:
          QD1   ILE   19 - HG2   GLN   30   4.73 +/- 1.23  49.362% * 80.8349% (0.95   2.13  14.80) =  94.059%  kept
          QG2   VAL   18 - HG2   GLN   30   8.98 +/- 1.55  13.892% * 16.7816% (0.90   0.47   0.02) =   5.495%  kept
          QG1   VAL   41 - HG2   GLN   30   7.90 +/- 2.23  18.658% *  0.3901% (0.49   0.02   0.02) =   0.172%  kept
          QG1   VAL   43 - HG2   GLN   30  10.39 +/- 2.45   7.871% *  0.5505% (0.69   0.02   0.02) =   0.102%  kept
          QD2   LEU  104 - HG2   GLN   30  14.33 +/- 2.99   5.856% *  0.6694% (0.84   0.02   0.02) =   0.092%
          QG2   THR   46 - HG2   GLN   30  14.64 +/- 2.53   4.361% *  0.7735% (0.97   0.02   0.02) =   0.080%
    Distance limit 3.91 A violated in 4 structures by 0.67 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 0.748, residual support = 4.83:
        T QG2   THR   26 - HG2   GLN   30   2.91 +/- 0.70  87.689% * 87.3618% (0.61 10.00   0.75   4.85) =  99.726%  kept
        T QD    LYS+  66 - HG2   GLN   30  17.14 +/- 2.79   2.173% *  3.8324% (1.00 10.00   0.02   0.02) =   0.108%  kept
        T HD2   LYS+ 121 - HG2   GLN   30  20.67 +/- 5.43   1.469% *  2.9354% (0.76 10.00   0.02   0.02) =   0.056%
        T HB3   LYS+ 121 - HG2   GLN   30  20.40 +/- 4.77   1.508% *  2.7891% (0.73 10.00   0.02   0.02) =   0.055%
        T HD3   LYS+  74 - HG2   GLN   30  14.14 +/- 2.31   1.336% *  2.1746% (0.57 10.00   0.02   0.02) =   0.038%
          HG2   LYS+  65 - HG2   GLN   30  15.83 +/- 3.32   2.016% *  0.2638% (0.69  1.00   0.02   0.02) =   0.007%
          HG    LEU  104 - HG2   GLN   30  17.41 +/- 4.15   1.379% *  0.2789% (0.73  1.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HG2   GLN   30  11.40 +/- 2.11   2.171% *  0.1310% (0.34  1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HG2   GLN   30  24.82 +/- 3.62   0.258% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.0, residual support = 237.7:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.59 +/- 0.27  95.742% * 99.8036% (0.95  10.0 10.00   7.00 237.75) =  99.996%  kept
          QB    ALA   47 - HB3   LYS+ 112  11.39 +/- 2.96   2.775% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HB3   LYS+ 112  11.54 +/- 2.01   1.483% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.45 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 = 6.47, residual support = 237.7:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.66 +/- 0.31  81.139% * 99.8561% (0.73  10.0 10.00   6.47 237.75) =  99.993%  kept
          HB    THR   46 - HB3   LYS+ 112  12.74 +/- 3.86  17.996% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.007%
          HB2   HIS  122 - HB3   LYS+ 112  16.45 +/- 2.26   0.470% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  23.59 +/- 6.24   0.395% *  0.0516% (0.38   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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 237.7:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.78 +/- 0.56  95.676% * 99.7523% (0.97  10.0   5.96 237.75) =  99.998%  kept
          HN    THR   46 - HB3   LYS+ 112  14.11 +/- 3.19   2.233% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB3   LYS+ 112  18.52 +/- 3.68   0.500% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  13.51 +/- 2.54   1.477% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  33.88 +/- 6.86   0.114% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.74, residual support = 237.7:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.91 +/- 0.63  88.057% * 99.6310% (0.84  10.0   5.74 237.75) =  99.995%  kept
          HN    LYS+  74 - HB    VAL   42   9.55 +/- 1.98   7.515% *  0.0310% (0.26   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HB    VAL   42  15.83 +/- 2.31   0.841% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  18.45 +/- 4.20   1.441% *  0.0407% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB2   LYS+ 112  18.41 +/- 4.13   1.107% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  16.18 +/- 1.30   0.719% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  24.68 +/- 4.26   0.200% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  33.84 +/- 6.70   0.120% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.309:
          HA    PHE   72 - HB    VAL   42   7.20 +/- 2.62  47.512% * 47.7749% (0.85   0.02   0.39) =  77.776%  kept
          HA    MET   96 - HB    VAL   42   7.27 +/- 1.07  43.115% * 10.8512% (0.19   0.02   0.02) =  16.031%  kept
          HA    PHE   72 - HB2   LYS+ 112  19.28 +/- 4.47   4.181% * 33.7159% (0.60   0.02   0.02) =   4.831%  kept
          HA    MET   96 - HB2   LYS+ 112  14.76 +/- 1.68   5.192% *  7.6580% (0.14   0.02   0.02) =   1.362%  kept
    Distance limit 3.88 A violated in 16 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.19, residual support = 89.0:
      O   HN    VAL   42 - HB    VAL   42   2.89 +/- 0.43  81.142% * 90.2529% (0.80  10.0   6.25  90.28) =  98.548%  kept
          HN    LEU   73 - HB    VAL   42   7.66 +/- 2.41  11.365% *  9.4654% (0.80   1.0   2.10   0.19) =   1.448%  kept
          HN    LYS+ 106 - HB    VAL   42  11.13 +/- 1.20   2.032% *  0.0632% (0.56   1.0   0.02   0.02) =   0.002%
          HN    ILE   19 - HB    VAL   42  10.70 +/- 2.90   2.720% *  0.0272% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LEU   73 - HB2   LYS+ 112  18.51 +/- 4.31   1.132% *  0.0637% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  15.26 +/- 1.20   0.712% *  0.0446% (0.40   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  17.44 +/- 2.65   0.495% *  0.0637% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  20.83 +/- 3.49   0.402% *  0.0192% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.55, support = 1.82, residual support = 3.56:
          QD    PHE   60 - HB    VAL   42   8.40 +/- 2.04  19.049% * 70.3906% (0.66   2.17   4.65) =  73.720%  kept
          QD    PHE   55 - HB2   LYS+ 112   6.05 +/- 4.31  38.320% *  5.0829% (0.12   0.86   0.82) =  10.709%  kept
          HE3   TRP   27 - HB    VAL   42   9.79 +/- 2.46  13.814% * 11.6055% (0.22   1.10   0.44) =   8.814%  kept
          QD    PHE   60 - HB2   LYS+ 112   9.77 +/- 3.04  10.856% *  9.9612% (0.47   0.44   0.15) =   5.945%  kept
          HN    LYS+  66 - HB    VAL   42   9.64 +/- 2.53  12.399% *  1.0430% (0.24   0.09   0.02) =   0.711%  kept
          HN    LYS+  81 - HB    VAL   42  20.32 +/- 2.59   0.798% *  0.8403% (0.86   0.02   0.02) =   0.037%
          HN    LYS+  81 - HB2   LYS+ 112  23.77 +/- 3.92   0.900% *  0.5930% (0.61   0.02   0.02) =   0.029%
          QD    PHE   55 - HB    VAL   42  15.73 +/- 2.10   1.558% *  0.1678% (0.17   0.02   0.02) =   0.014%
          HN    LYS+  66 - HB2   LYS+ 112  16.39 +/- 2.08   1.469% *  0.1664% (0.17   0.02   0.02) =   0.013%
          HE3   TRP   27 - HB2   LYS+ 112  21.06 +/- 3.89   0.836% *  0.1492% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.09 A violated in 2 structures by 0.44 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.457, support = 0.533, residual support = 0.391:
        T QD    PHE   72 - HB    VAL   42   5.23 +/- 2.12  45.796% * 96.0410% (0.46 10.00   0.54   0.39) =  99.288%  kept
          HZ    PHE   72 - HB    VAL   42   6.51 +/- 2.43  28.218% *  0.6096% (0.78  1.00   0.02   0.39) =   0.388%  kept
        T QD    PHE   72 - HB2   LYS+ 112  15.55 +/- 3.00   3.542% *  2.5238% (0.32 10.00   0.02   0.02) =   0.202%  kept
          QE    PHE   45 - HB    VAL   42   8.70 +/- 0.87  17.397% *  0.2319% (0.30  1.00   0.02   0.02) =   0.091%
          HZ    PHE   72 - HB2   LYS+ 112  16.27 +/- 2.74   1.956% *  0.4302% (0.55  1.00   0.02   0.02) =   0.019%
          QE    PHE   45 - HB2   LYS+ 112  14.48 +/- 2.42   3.092% *  0.1636% (0.21  1.00   0.02   0.02) =   0.011%
    Distance limit 4.00 A violated in 6 structures by 1.09 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    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   2.71 +/- 0.13  98.325% * 99.2681% (0.14  10.0   2.86  15.43) =  99.987%  kept
          HN    LEU   40 - HA1   GLY  101  12.15 +/- 4.21   1.675% *  0.7319% (1.00   1.0   0.02   0.02) =   0.013%
    Distance limit 3.46 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   2.68 +/- 0.29  98.298% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  12.24 +/- 4.30   1.702% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.16:
      O   HN    SER   13 - HA    ALA   12   2.52 +/- 0.32  99.069% * 99.9814% (0.84  10.0   1.72   5.16) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.11 +/- 2.02   0.931% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.82 +/- 0.08  99.175% * 99.8617% (0.85  10.0   2.38  12.41) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  17.68 +/- 4.02   0.550% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  26.63 +/- 3.37   0.141% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  29.30 +/- 4.76   0.133% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.62 +/- 0.32  97.452% * 99.7294% (0.46  10.0   2.29  12.41) =  99.998%  kept
          HN    ASN   35 - QB    ALA   12  14.57 +/- 3.39   0.964% *  0.1891% (0.87   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - QB    ALA   12  19.82 +/- 4.36   1.300% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  20.88 +/- 3.63   0.284% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 3.5, residual support = 12.0:
      O   HN    ALA   12 - HA    MET   11   2.54 +/- 0.19  94.012% * 99.5700% (0.65  10.0   3.50  11.97) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   7.70 +/- 0.90   4.393% *  0.0391% (0.25   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HA    MET   11  29.23 +/- 4.40   0.091% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  19.72 +/- 4.84   0.329% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  15.92 +/- 3.92   0.812% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  31.81 +/- 5.34   0.076% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.10 +/- 2.46   0.146% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  25.16 +/- 3.80   0.141% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.964, support = 3.58, residual support = 12.0:
          HN    ALA   12 - HG3   MET   11   4.14 +/- 0.50  76.339% * 98.7304% (0.97   3.58  11.97) =  99.940%  kept
          HN    ALA   12 - HB3   GLU-  14   7.56 +/- 1.61  19.063% *  0.1956% (0.34   0.02   0.02) =   0.049%
          HN    ASN   35 - HG3   MET   11  19.73 +/- 5.37   1.104% *  0.3232% (0.57   0.02   0.02) =   0.005%
          HN    ASN   35 - HB3   GLU-  14  15.85 +/- 4.03   2.100% *  0.1147% (0.20   0.02   0.02) =   0.003%
          HN    PHE   97 - HG3   MET   11  29.51 +/- 4.60   0.271% *  0.2347% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  32.08 +/- 5.50   0.203% *  0.2347% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  23.17 +/- 3.08   0.532% *  0.0833% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  25.54 +/- 3.79   0.388% *  0.0833% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.17 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   2.55 +/- 0.38  86.525% * 99.1146% (0.92  10.0   2.09   6.61) =  99.993%  kept
          HN    GLU-  29 - HA    SER   13  15.25 +/- 5.35   4.294% *  0.0331% (0.31   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HA    SER   13  14.39 +/- 4.26   1.628% *  0.0860% (0.80   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HA    THR   46  14.17 +/- 1.87   1.752% *  0.0472% (0.44   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   37  12.77 +/- 1.08   0.967% *  0.0459% (0.43   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    SER   37  14.19 +/- 3.30   1.022% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.63 +/- 4.46   0.447% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  14.72 +/- 4.84   0.709% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  16.85 +/- 2.46   0.443% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  18.95 +/- 4.87   0.454% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  19.93 +/- 2.51   0.261% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.19 +/- 3.98   0.149% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.76 +/- 1.14   0.606% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.98 +/- 0.96   0.217% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.54 +/- 3.24   0.163% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  31.24 +/- 5.04   0.070% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  20.98 +/- 2.65   0.233% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  29.96 +/- 5.14   0.062% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.639, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.17 +/- 1.62  18.029% * 21.8157% (0.99   0.02   0.02) =  33.957%  kept
          HN    ILE   19 - HA    SER   37  14.58 +/- 2.37  11.434% * 11.6574% (0.53   0.02   0.02) =  11.507%  kept
          HN    ILE   19 - HA    THR   46  16.91 +/- 4.50   9.744% * 13.2032% (0.60   0.02   0.02) =  11.107%  kept
          HN    LEU   73 - HA    THR   46  13.03 +/- 2.02  14.971% *  7.5418% (0.34   0.02   0.02) =   9.748%  kept
          HN    LEU   73 - HA    SER   13  16.10 +/- 2.00   7.780% * 12.4613% (0.57   0.02   0.02) =   8.370%  kept
          HN    VAL   42 - HA    THR   46  13.85 +/- 0.78  11.072% *  7.5418% (0.34   0.02   0.02) =   7.209%  kept
          HN    VAL   42 - HA    SER   37  13.48 +/- 0.60  11.959% *  6.6588% (0.30   0.02   0.02) =   6.875%  kept
          HN    LEU   73 - HA    SER   37  15.29 +/- 1.92   9.830% *  6.6588% (0.30   0.02   0.02) =   5.651%  kept
          HN    VAL   42 - HA    SER   13  18.31 +/- 2.60   5.181% * 12.4613% (0.57   0.02   0.02) =   5.574%  kept
    Distance limit 3.48 A violated in 20 structures by 5.81 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 = 29.5:
      O   HN    SER   37 - HB3   SER   37   2.73 +/- 0.45  94.466% * 99.5355% (0.83  10.0   3.80  29.46) =  99.997%  kept
          HN    SER   37 - QB    SER   13  14.18 +/- 3.96   1.845% *  0.0762% (0.63   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    SER   13  22.29 +/- 4.57   0.918% *  0.0642% (0.53   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    SER   13  14.45 +/- 2.67   1.532% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  21.43 +/- 3.52   0.415% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.68 +/- 2.23   0.584% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  28.59 +/- 4.66   0.141% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  28.27 +/- 4.14   0.099% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.623, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  20.52 +/- 3.41  26.276% * 22.8936% (0.69   0.02   0.02) =  41.639%  kept
          HA    TRP   87 - HB3   GLU-  14  30.32 +/- 4.62  10.316% * 33.2545% (1.00   0.02   0.02) =  23.747%  kept
          HA    LEU  104 - HB3   GLU-  14  25.58 +/- 4.49  14.887% * 12.5086% (0.38   0.02   0.02) =  12.890%  kept
          HA    PHE   59 - HG3   MET   11  27.02 +/- 5.44  12.768% *  8.1279% (0.24   0.02   0.02) =   7.184%  kept
          HA    TRP   87 - HG3   MET   11  35.82 +/- 5.89   8.311% * 11.8063% (0.35   0.02   0.02) =   6.792%  kept
          HA    ASP- 113 - HB3   GLU-  14  27.25 +/- 4.91  12.652% *  5.1424% (0.15   0.02   0.02) =   4.504%  kept
          HA    LEU  104 - HG3   MET   11  31.77 +/- 5.08   7.600% *  4.4409% (0.13   0.02   0.02) =   2.336%  kept
          HA    ASP- 113 - HG3   MET   11  33.72 +/- 6.56   7.191% *  1.8257% (0.05   0.02   0.02) =   0.909%  kept
    Distance limit 3.68 A violated in 20 structures by 13.93 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.88, residual support = 45.4:
      O   HN    GLU-  14 - HB3   GLU-  14   3.27 +/- 0.27  83.244% * 99.5831% (0.92  10.0   3.88  45.40) =  99.993%  kept
          HN    GLU-  14 - HG3   MET   11   9.25 +/- 1.57   7.765% *  0.0354% (0.33   1.0   0.02   0.02) =   0.003%
          HN    GLN   30 - HB3   GLU-  14  13.61 +/- 4.27   4.031% *  0.0368% (0.34   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB3   GLU-  14  19.96 +/- 4.39   0.693% *  0.1069% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  14  22.40 +/- 3.96   0.343% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  17.48 +/- 6.22   2.658% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  26.41 +/- 5.24   0.804% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.16 +/- 5.13   0.202% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  29.46 +/- 4.87   0.150% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  34.69 +/- 5.17   0.109% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 3.89, residual support = 45.4:
      O   HN    GLU-  14 - HB2   GLU-  14   3.33 +/- 0.59  85.918% * 99.3938% (0.49  10.0   3.89  45.40) =  99.992%  kept
          HN    GLU-  14 - HG2   MET   11   8.88 +/- 1.44   7.416% *  0.0372% (0.18   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HB2   GLU-  14  15.53 +/- 3.73   2.054% *  0.0839% (0.41   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLU-  14  19.60 +/- 4.29   0.759% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  14  22.07 +/- 3.73   0.412% *  0.1483% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   11  19.78 +/- 5.53   0.816% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  26.08 +/- 4.93   0.289% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  27.88 +/- 6.67   0.970% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  18.65 +/- 2.81   0.694% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.05 +/- 5.31   0.238% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  26.58 +/- 2.53   0.238% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  29.50 +/- 3.66   0.196% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.54:
      O   HN    GLY   16 - HA    GLU-  15   2.52 +/- 0.27  95.201% * 99.5949% (0.97  10.0   2.05   5.54) =  99.997%  kept
          HN    GLY   16 - HA    LEU   40  13.31 +/- 3.97   1.420% *  0.0805% (0.78   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    LEU   40  17.39 +/- 3.96   1.528% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HA    ASN   35  14.86 +/- 3.44   0.856% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.14 +/- 3.66   0.183% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  27.20 +/- 5.58   0.167% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  24.28 +/- 3.69   0.146% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  24.17 +/- 4.70   0.358% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  26.64 +/- 5.92   0.142% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.98, residual support = 105.7:
      O   HN    ASN   28 - HA    ASN   28   2.72 +/- 0.05  99.547% * 99.8927% (0.84  10.0   5.98 105.69) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  18.22 +/- 2.56   0.453% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.374, support = 2.54, residual support = 19.1:
        T HB2   LEU   31 - HA    ASN   28   3.72 +/- 0.47  66.289% * 92.7839% (0.38 10.00   2.55  19.16) =  99.774%  kept
          HB3   LEU   73 - HA    ASN   28  10.38 +/- 3.24   4.769% *  0.9051% (0.38  1.00   0.20   1.35) =   0.070%
        T QB    ALA   84 - HA    ASN   28  16.38 +/- 4.87   1.452% *  2.4667% (1.00 10.00   0.02   0.02) =   0.058%
        T QB    ALA  124 - HA    ASN   28  23.26 +/- 5.23   1.193% *  2.2171% (0.90 10.00   0.02   0.02) =   0.043%
          HB2   LEU   63 - HA    ASN   28  17.25 +/- 4.06   6.020% *  0.1599% (0.65  1.00   0.02   0.02) =   0.016%
          HG    LEU   98 - HA    ASN   28  13.12 +/- 3.69   3.232% *  0.2386% (0.97  1.00   0.02   0.02) =   0.013%
          HG3   LYS+  33 - HA    ASN   28   8.63 +/- 0.99   6.073% *  0.0616% (0.25  1.00   0.02   0.02) =   0.006%
          HB3   LEU   80 - HA    ASN   28  17.19 +/- 7.15   2.466% *  0.1301% (0.53  1.00   0.02   1.20) =   0.005%
          HB    VAL   42 - HA    ASN   28  13.73 +/- 2.58   3.236% *  0.0763% (0.31  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HA    ASN   28  15.78 +/- 2.02   1.027% *  0.1889% (0.76  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HA    ASN   28  20.32 +/- 2.99   0.606% *  0.2472% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HA    ASN   28  17.73 +/- 4.95   1.188% *  0.1016% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    ASN   28  18.00 +/- 3.28   0.802% *  0.1499% (0.61  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ASN   28  19.03 +/- 4.02   1.009% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  24.98 +/- 4.45   0.339% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  25.98 +/- 3.99   0.298% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.61, support = 3.67, residual support = 18.7:
          HG    LEU   31 - HA    ASN   28   3.05 +/- 1.09  77.189% * 87.7334% (0.61   3.76  19.16) =  97.400%  kept
          QD2   LEU   73 - HA    ASN   28   7.73 +/- 3.07  16.438% * 10.8170% (0.76   0.37   1.35) =   2.557%  kept
          HG3   LYS+ 121 - HA    ASN   28  22.99 +/- 6.13   2.973% *  0.5881% (0.76   0.02   0.02) =   0.025%
          QD1   ILE   56 - HA    ASN   28  18.88 +/- 3.33   1.255% *  0.7427% (0.97   0.02   0.02) =   0.013%
          QD2   LEU  123 - HA    ASN   28  21.81 +/- 4.64   2.144% *  0.1187% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.88 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.69, residual support = 5.39:
      O   HN    GLY   16 - HA2   GLY   16   2.89 +/- 0.03  99.556% * 99.8461% (0.97  10.0   2.69   5.39) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  22.19 +/- 4.24   0.312% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.89 +/- 5.52   0.132% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 17.3:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.05  82.484% * 99.5709% (0.65  10.0   3.26  17.29) =  99.986%  kept
          HD21  ASN   69 - HA2   GLY   16  11.78 +/- 5.77  15.295% *  0.0690% (0.45   1.0   0.02   0.02) =   0.013%
          HN    ALA   61 - HA2   GLY   16  16.77 +/- 2.93   0.891% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA2   GLY   16  28.60 +/- 5.66   0.193% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  17.20 +/- 2.11   0.818% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  29.69 +/- 5.16   0.157% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  29.00 +/- 3.69   0.161% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 17.3:
      O   HN    GLN   17 - HA1   GLY   16   3.23 +/- 0.06  80.933% * 99.5709% (0.65  10.0   3.26  17.29) =  99.984%  kept
          HD21  ASN   69 - HA1   GLY   16  10.88 +/- 5.92  17.034% *  0.0690% (0.45   1.0   0.02   0.02) =   0.015%
          HN    ALA   61 - HA1   GLY   16  16.13 +/- 3.32   0.864% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA1   GLY   16  27.70 +/- 6.13   0.173% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  16.49 +/- 1.89   0.713% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  28.93 +/- 5.60   0.139% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  28.32 +/- 3.99   0.145% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 2.69, residual support = 5.39:
      O   HN    GLY   16 - HA1   GLY   16   2.28 +/- 0.02  99.527% * 99.6694% (0.57  10.0   2.69   5.39) = 100.000%  kept
          HN    SER   82 - HA1   GLY   16  28.36 +/- 5.75   0.066% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  21.41 +/- 4.29   0.187% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  22.67 +/- 4.28   0.161% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  29.03 +/- 4.68   0.058% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.32, residual support = 84.7:
      O T HB3   GLN   17 - QG    GLN   17   2.35 +/- 0.12  74.001% * 91.7662% (0.58  10.0 10.00   4.31  84.98) =  99.552%  kept
          HB2   LEU   71 - HB    VAL   70   6.38 +/- 0.34   3.941% *  7.0742% (0.15   1.0  1.00   5.87  34.90) =   0.409%  kept
          HB2   LEU   71 - QG    GLN   17   9.67 +/- 5.22   3.687% *  0.4627% (0.75   1.0  1.00   0.08   0.02) =   0.025%
          QB    LYS+  65 - QG    GLN   17   9.41 +/- 3.66   3.836% *  0.1159% (0.74   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   GLN   17 - HB    VAL   70  10.95 +/- 3.85   1.407% *  0.1880% (0.12   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - QG    GLN   17  10.64 +/- 3.60   1.572% *  0.0494% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   7.81 +/- 0.98   2.517% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   7.11 +/- 0.52   2.834% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.72 +/- 3.16   0.171% *  0.1077% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  13.79 +/- 2.65   0.527% *  0.0299% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.90 +/- 1.98   2.400% *  0.0061% (0.04   1.0  1.00   0.02   2.61) =   0.000%
          HG2   PRO   93 - QG    GLN   17  19.96 +/- 2.92   0.173% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  15.75 +/- 3.79   0.516% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.59 +/- 3.64   0.305% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.35 +/- 2.83   0.302% *  0.0169% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  12.26 +/- 4.12   1.006% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.18 +/- 2.72   0.165% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.72 +/- 3.34   0.640% *  0.0038% (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 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.483, support = 5.56, residual support = 83.3:
          HN    GLN   17 - QG    GLN   17   3.16 +/- 0.70  62.941% * 87.5105% (0.49   5.61  84.98) =  97.292%  kept
          HD21  ASN   69 - HB    VAL   70   6.19 +/- 1.35  15.485% *  9.2612% (0.07   4.18  24.99) =   2.533%  kept
          HN    ALA   61 - QG    GLN   17  13.04 +/- 2.98   4.328% *  1.8222% (0.37   0.16   0.02) =   0.139%  kept
          HD21  ASN   69 - QG    GLN   17  11.96 +/- 4.51   5.273% *  0.2164% (0.34   0.02   0.02) =   0.020%
          HN    GLN   17 - HB    VAL   70   9.99 +/- 4.17   5.157% *  0.0640% (0.10   0.02   0.02) =   0.006%
          HN    ALA   61 - HB    VAL   70  10.75 +/- 1.54   2.815% *  0.0481% (0.08   0.02   0.02) =   0.002%
          HE3   TRP   87 - QG    GLN   17  23.43 +/- 5.24   0.283% *  0.3865% (0.61   0.02   0.02) =   0.002%
          HN    TRP   27 - QG    GLN   17  12.91 +/- 2.20   1.305% *  0.0745% (0.12   0.02   0.02) =   0.002%
          HN    ALA   91 - QG    GLN   17  23.11 +/- 3.89   0.323% *  0.1984% (0.31   0.02   0.02) =   0.001%
          HN    TRP   87 - QG    GLN   17  23.98 +/- 4.97   0.229% *  0.2349% (0.37   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  20.01 +/- 4.01   0.402% *  0.0792% (0.13   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    VAL   70  15.11 +/- 1.72   0.869% *  0.0153% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  21.75 +/- 2.74   0.270% *  0.0481% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  21.40 +/- 2.34   0.319% *  0.0406% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.3:
          HN    VAL   18 - QG    GLN   17   3.21 +/- 0.64  79.426% * 99.7449% (0.76   5.81  50.30) =  99.983%  kept
          HN    SER   13 - QG    GLN   17   9.20 +/- 1.65   7.161% *  0.0767% (0.17   0.02   0.02) =   0.007%
          HN    GLU-  29 - QG    GLN   17  13.81 +/- 3.21   5.339% *  0.0767% (0.17   0.02   0.02) =   0.005%
          HN    VAL   18 - HB    VAL   70   9.95 +/- 4.85   5.349% *  0.0704% (0.16   0.02   0.02) =   0.005%
          HN    SER   13 - HB    VAL   70  16.71 +/- 2.47   1.600% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  16.06 +/- 2.10   1.126% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 85.0:
      O   HN    GLN   17 - HB3   GLN   17   3.05 +/- 0.36  93.089% * 99.5709% (0.65  10.0   5.27  84.98) =  99.995%  kept
          HN    ALA   61 - HB3   GLN   17  14.57 +/- 2.92   2.309% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HD21  ASN   69 - HB3   GLN   17  13.50 +/- 4.54   2.440% *  0.0690% (0.45   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   GLN   17  13.92 +/- 2.59   1.531% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  26.11 +/- 5.37   0.214% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  26.81 +/- 5.02   0.193% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.91 +/- 3.78   0.224% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 5.47, residual support = 50.3:
          HN    VAL   18 - HB3   GLN   17   3.39 +/- 0.75  88.883% * 99.8370% (1.00   5.47  50.30) =  99.990%  kept
          HN    SER   13 - HB3   GLN   17  10.01 +/- 1.80   6.499% *  0.0815% (0.22   0.02   0.02) =   0.006%
          HN    GLU-  29 - HB3   GLN   17  14.90 +/- 3.68   4.618% *  0.0815% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 4.0, residual support = 84.9:
      O T HB3   GLN   17 - HA    GLN   17   2.80 +/- 0.19  75.568% * 98.1809% (0.76  10.0 10.00   4.00  84.98) =  99.880%  kept
          QB    LYS+  65 - HA    GLN   17   9.78 +/- 4.58   5.023% *  1.3652% (0.97   1.0  1.00   0.22   0.02) =   0.092%
          HB2   LEU   71 - HA    GLN   17   9.98 +/- 6.67  14.583% *  0.1259% (0.98   1.0  1.00   0.02   0.02) =   0.025%
          QB    LYS+  66 - HA    GLN   17  11.01 +/- 4.48   2.735% *  0.0528% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HA    GLN   17  21.45 +/- 3.74   0.253% *  0.1152% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  14.69 +/- 3.32   0.738% *  0.0320% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  21.86 +/- 3.40   0.216% *  0.0882% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.75 +/- 4.08   0.634% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.70 +/- 3.62   0.251% *  0.0198% (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 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.14, residual support = 84.9:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  75.574% * 94.0226% (0.18  10.0 10.00   4.14  84.98) =  99.890%  kept
        T HB3   GLN   17 - HB3   PRO   68  12.15 +/- 5.32   1.454% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.048%
        T HB3   GLN   17 - QB    GLU-  15   6.16 +/- 0.65   2.094% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.031%
          QB    LYS+  66 - HB3   PRO   68   6.39 +/- 1.74   3.676% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - QB    GLU-  15  12.69 +/- 3.40   7.889% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QB    GLU-  15   9.08 +/- 5.39   3.151% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - HB3   PRO   68   8.83 +/- 1.12   0.742% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB3   PRO   68  10.13 +/- 1.36   0.520% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   GLN   17  10.72 +/- 5.72   1.260% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   GLN   17  10.57 +/- 4.09   1.110% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - QB    GLU-  15  12.48 +/- 2.68   0.410% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HB3   PRO   68  19.47 +/- 5.10   0.127% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  12.06 +/- 3.70   0.425% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  21.53 +/- 3.88   0.096% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  16.04 +/- 5.76   0.326% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.53 +/- 2.14   0.168% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  19.42 +/- 3.50   0.092% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.17 +/- 2.85   0.209% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.16 +/- 3.35   0.049% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  18.92 +/- 4.31   0.110% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  15.37 +/- 2.80   0.145% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  22.45 +/- 2.55   0.042% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  23.72 +/- 2.34   0.034% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  17.17 +/- 3.18   0.108% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  19.76 +/- 3.69   0.082% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  20.01 +/- 2.78   0.064% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.48 +/- 2.69   0.048% *  0.0190% (0.04   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 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.2:
      O   HA    PRO   68 - HB3   PRO   68   2.45 +/- 0.21  91.497% * 99.9155% (0.19  10.0   2.96  36.23) =  99.996%  kept
          HA    PRO   68 - HB2   GLN   17  11.77 +/- 5.96   5.319% *  0.0398% (0.07   1.0   0.02   0.02) =   0.002%
          HA    PRO   68 - QB    GLU-  15  11.04 +/- 4.20   3.184% *  0.0447% (0.08   1.0   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.46, residual support = 50.2:
          HN    VAL   18 - HB2   GLN   17   3.15 +/- 0.65  67.699% * 97.9581% (0.24   5.47  50.30) =  99.861%  kept
          HN    VAL   18 - HB3   PRO   68  12.33 +/- 5.52   5.613% *  0.8990% (0.61   0.02   0.02) =   0.076%
          HN    VAL   18 - QB    GLU-  15   8.17 +/- 0.59   5.170% *  0.4022% (0.27   0.02   0.02) =   0.031%
          HN    SER   13 - QB    GLU-  15   6.93 +/- 1.11  11.817% *  0.0897% (0.06   0.02   0.02) =   0.016%
          HN    SER   13 - HB3   PRO   68  17.34 +/- 4.10   2.019% *  0.2006% (0.14   0.02   0.02) =   0.006%
          HN    SER   13 - HB2   GLN   17  10.18 +/- 1.81   4.762% *  0.0800% (0.05   0.02   0.02) =   0.006%
          HN    GLU-  29 - QB    GLU-  15  13.78 +/- 3.41   1.431% *  0.0897% (0.06   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB2   GLN   17  15.03 +/- 3.59   1.131% *  0.0800% (0.05   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   PRO   68  20.76 +/- 3.11   0.359% *  0.2006% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.3:
      O   HN    VAL   18 - HA    GLN   17   2.53 +/- 0.14  99.085% * 99.9233% (0.84  10.0   5.47  50.30) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  15.61 +/- 3.10   0.816% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  27.66 +/- 5.83   0.098% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.73:
        T QB    ALA   64 - HA    GLN   17   7.91 +/- 4.32  59.190% * 38.1619% (0.69 10.00   0.02   1.01) =  71.557%  kept
        T QG1   VAL   42 - HA    GLN   17  11.92 +/- 3.24  22.228% * 27.0421% (0.49 10.00   0.02   0.02) =  19.042%  kept
        T QB    ALA   47 - HA    GLN   17  19.41 +/- 4.23   8.477% * 33.6965% (0.61 10.00   0.02   0.02) =   9.049%  kept
          HG2   LYS+ 112 - HA    GLN   17  21.77 +/- 4.56  10.105% *  1.0994% (0.20  1.00   0.02   0.02) =   0.352%  kept
    Distance limit 3.17 A violated in 17 structures by 4.25 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 76.7:
      O   HN    VAL   18 - HB    VAL   18   2.44 +/- 0.39  98.849% * 99.9233% (0.84  10.0   4.99  76.66) =  99.999%  kept
          HN    GLU-  29 - HB    VAL   18  14.29 +/- 2.52   0.989% *  0.0582% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB    VAL   18  24.74 +/- 7.09   0.162% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.557, support = 0.91, residual support = 2.57:
        T HB2   PHE   72 - HA    VAL   18   7.49 +/- 4.98  39.761% * 85.4486% (0.49 10.00   0.94   1.56) =  85.191%  kept
          HA    ALA   64 - HA    VAL   18   7.66 +/- 5.16  41.935% * 13.7204% (0.98  1.00   0.75   8.55) =  14.427%  kept
        T HB3   ASN   35 - HA    VAL   18  15.97 +/- 2.38  18.303% *  0.8310% (0.22 10.00   0.02   0.02) =   0.381%  kept
    Distance limit 3.88 A violated in 5 structures by 2.06 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.86, residual support = 22.7:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.05  91.331% * 95.8563% (0.73  10.0   4.87  22.78) =  99.710%  kept
          HN    LEU   73 - HA    VAL   18   7.89 +/- 5.41   6.313% *  3.9924% (0.92   1.0   0.66   0.23) =   0.287%  kept
          HN    VAL   42 - HA    VAL   18  10.16 +/- 4.39   2.223% *  0.1219% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  20.48 +/- 2.62   0.133% *  0.0294% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.772, support = 0.249, residual support = 0.119:
          HG    LEU   73 - QG1   VAL   18   7.74 +/- 4.68  17.137% * 33.6252% (0.61   0.31   0.23) =  45.466%  kept
          HG    LEU   67 - QG1   VAL   18   8.97 +/- 5.59  12.880% * 42.9972% (1.00   0.24   0.02) =  43.696%  kept
          QG    LYS+  66 - QG1   VAL   18   9.50 +/- 3.90   7.615% *  5.6023% (0.41   0.08   0.02) =   3.366%  kept
          QB    ALA  120 - QG1   VAL   18  13.07 +/- 2.42  10.763% *  2.4745% (0.69   0.02   0.02) =   2.101%  kept
          HB3   LEU   67 - QG1   VAL   18   8.38 +/- 5.48  16.704% *  0.8983% (0.25   0.02   0.02) =   1.184%  kept
          HG    LEU   40 - QG1   VAL   18  10.71 +/- 3.07   3.695% *  3.5706% (0.99   0.02   0.02) =   1.041%  kept
          QB    ALA   61 - QG1   VAL   18   7.28 +/- 4.05  19.359% *  0.5558% (0.15   0.02   0.58) =   0.849%  kept
          HB3   LEU  115 - QG1   VAL   18  12.78 +/- 3.26   2.905% *  3.5706% (0.99   0.02   0.02) =   0.818%  kept
          HG    LEU  115 - QG1   VAL   18  13.41 +/- 3.41   2.811% *  2.4745% (0.69   0.02   0.02) =   0.549%  kept
          HB3   LEU   40 - QG1   VAL   18  10.94 +/- 3.32   4.256% *  1.6151% (0.45   0.02   0.02) =   0.542%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.46 +/- 3.03   1.875% *  2.6159% (0.73   0.02   0.02) =   0.387%  kept
    Distance limit 3.00 A violated in 9 structures by 1.84 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.482, support = 2.84, residual support = 7.52:
        T QB    ALA   34 - QG1   VAL   41   3.16 +/- 1.68  47.963% * 84.9877% (0.49 10.00   2.94   7.84) =  95.934%  kept
        T QB    ALA   34 - QG2   VAL   18   9.66 +/- 2.02  12.292% * 13.8324% (0.37 10.00   0.43   0.02) =   4.002%  kept
          QG2   THR   23 - QG2   VAL   18   9.33 +/- 2.05   8.876% *  0.1115% (0.64  1.00   0.02   0.02) =   0.023%
        T QG2   ILE   56 - QG1   VAL   41  13.86 +/- 1.89   1.209% *  0.5389% (0.31 10.00   0.02   0.02) =   0.015%
          QG2   ILE   56 - QG2   VAL   18  12.03 +/- 3.35   8.511% *  0.0412% (0.24  1.00   0.02   0.02) =   0.008%
          QG2   THR   77 - QG1   VAL   41  11.85 +/- 1.66   1.732% *  0.1059% (0.61  1.00   0.02   0.02) =   0.004%
          QG2   THR   77 - QG2   VAL   18  11.72 +/- 3.87   2.213% *  0.0809% (0.46  1.00   0.02   0.02) =   0.004%
          QG2   THR   23 - QG1   VAL   41  11.89 +/- 2.06   1.168% *  0.1458% (0.84  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  38 - QG1   VAL   41   8.30 +/- 1.35   3.133% *  0.0306% (0.18  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG1   VAL   41  16.68 +/- 2.79   0.755% *  0.0435% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD2   LEU  104  16.16 +/- 3.38   3.249% *  0.0078% (0.04  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD2   LEU  104   8.60 +/- 1.90   3.542% *  0.0046% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  18.50 +/- 4.19   0.479% *  0.0333% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  16.47 +/- 2.49   0.672% *  0.0234% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  14.00 +/- 1.42   0.952% *  0.0057% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.70 +/- 1.58   1.444% *  0.0029% (0.02  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  11.71 +/- 3.38   1.357% *  0.0016% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  17.18 +/- 3.33   0.453% *  0.0023% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 2 structures by 0.52 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.829, support = 4.23, residual support = 75.0:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  44.477% * 90.8716% (0.84  10.0 10.00   4.28  75.96) =  98.414%  kept
          QB    LYS+  65 - QG2   VAL   18   6.92 +/- 4.32  10.511% *  2.7543% (0.55   1.0  1.00   0.91   0.02) =   0.705%  kept
          HB3   GLN   17 - QG2   VAL   18   4.85 +/- 0.84   5.574% *  3.4038% (0.15   1.0  1.00   4.14  50.30) =   0.462%  kept
          QB    LYS+  65 - QG1   VAL   41  10.94 +/- 3.74  13.150% *  1.2158% (0.73   1.0  1.00   0.31   0.02) =   0.389%  kept
        T HB    VAL   41 - QG2   VAL   18  11.32 +/- 2.45   0.385% *  0.6945% (0.64   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - QG1   VAL   41   6.78 +/- 2.29   2.611% *  0.0747% (0.69   1.0  1.00   0.02   0.81) =   0.005%
          HG12  ILE  103 - QG1   VAL   41   7.79 +/- 2.16   2.174% *  0.0747% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+ 102 - QG1   VAL   41   8.60 +/- 2.66   1.517% *  0.0909% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QG2   VAL   18   8.91 +/- 3.71   1.317% *  0.0802% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QG1   VAL   41  11.04 +/- 2.76   0.889% *  0.1050% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG2   VAL   18   9.28 +/- 4.42   1.271% *  0.0571% (0.52   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD2   LEU  104   7.96 +/- 1.59   1.449% *  0.0488% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD2   LEU  104   4.82 +/- 1.26   7.440% *  0.0049% (0.04   1.0  1.00   0.02   0.22) =   0.001%
          HG2   PRO   93 - QG2   VAL   18  15.48 +/- 3.28   0.180% *  0.0815% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.45 +/- 1.20   3.477% *  0.0040% (0.04   1.0  1.00   0.02  38.03) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.47 +/- 1.41   0.102% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.89 +/- 3.73   0.299% *  0.0342% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.80 +/- 2.28   0.131% *  0.0571% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  17.14 +/- 2.25   0.106% *  0.0694% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  15.82 +/- 3.10   0.147% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.31 +/- 2.43   0.287% *  0.0215% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  12.43 +/- 3.69   1.329% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  18.58 +/- 4.40   0.144% *  0.0342% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  21.07 +/- 2.06   0.047% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  13.74 +/- 3.71   0.250% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.62 +/- 3.20   0.239% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  15.65 +/- 4.88   0.253% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.33 +/- 0.85   0.083% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.65 +/- 2.93   0.117% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  22.09 +/- 1.92   0.042% *  0.0024% (0.02   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.529, support = 2.83, residual support = 15.2:
          HB3   LEU   40 - QG1   VAL   41   4.98 +/- 0.39   9.279% * 69.2955% (0.46   3.78  20.73) =  73.346%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.50 +/- 5.52  17.282% *  8.4994% (0.76   0.28   0.02) =  16.755%  kept
          HG2   LYS+  65 - QG1   VAL   41  12.59 +/- 4.32  10.921% *  2.0465% (0.58   0.09   0.02) =   2.549%  kept
          QG2   THR   26 - QG1   VAL   41   8.75 +/- 2.10   2.863% *  7.6532% (0.64   0.30   0.02) =   2.499%  kept
          HB2   LYS+  74 - QG2   VAL   18   6.53 +/- 6.02  20.038% *  0.7850% (0.99   0.02   1.31) =   1.794%  kept
          QD    LYS+  66 - QG2   VAL   18   9.92 +/- 3.87   1.966% *  4.7590% (0.31   0.39   0.02) =   1.067%  kept
          QG2   THR   26 - QG2   VAL   18   7.58 +/- 1.78   8.983% *  0.6615% (0.84   0.02   0.02) =   0.678%  kept
          QD    LYS+  66 - QG1   VAL   41  12.42 +/- 3.14   2.227% *  2.6096% (0.24   0.28   0.02) =   0.663%  kept
          HB2   LYS+  74 - QG1   VAL   41  10.68 +/- 2.12   3.480% *  0.5999% (0.76   0.02   0.02) =   0.238%  kept
          QG2   THR   26 - QD2   LEU  104  13.76 +/- 3.17   7.138% *  0.1016% (0.13   0.02   0.02) =   0.083%
          HB3   LEU   40 - QG2   VAL   18  11.72 +/- 2.50   1.057% *  0.4804% (0.61   0.02   0.02) =   0.058%
          QB    ALA  120 - QG2   VAL   18  12.79 +/- 2.65   1.419% *  0.2972% (0.38   0.02   0.02) =   0.048%
          HD2   LYS+ 121 - QG1   VAL   41  12.97 +/- 4.16   1.009% *  0.4157% (0.52   0.02   0.02) =   0.048%
          HD2   LYS+ 121 - QG2   VAL   18  14.40 +/- 2.81   0.608% *  0.5440% (0.69   0.02   0.02) =   0.038%
          HB3   LEU   40 - QD2   LEU  104   8.20 +/- 3.06   3.533% *  0.0738% (0.09   0.02   0.02) =   0.030%
          HD2   LYS+ 121 - QD2   LEU  104  12.13 +/- 5.82   2.817% *  0.0836% (0.11   0.02   0.02) =   0.027%
          HG    LEU  115 - QG2   VAL   18  13.31 +/- 2.84   0.694% *  0.2972% (0.38   0.02   0.02) =   0.024%
          QB    ALA  120 - QG1   VAL   41  12.99 +/- 2.66   0.824% *  0.2272% (0.29   0.02   0.02) =   0.021%
          HG    LEU  115 - QG1   VAL   41  14.27 +/- 2.44   0.383% *  0.2272% (0.29   0.02   0.02) =   0.010%
          QB    ALA  120 - QD2   LEU  104  12.16 +/- 3.71   1.358% *  0.0457% (0.06   0.02   0.02) =   0.007%
          HB2   LYS+  74 - QD2   LEU  104  16.03 +/- 2.19   0.464% *  0.1206% (0.15   0.02   0.02) =   0.006%
          HG2   LYS+  65 - QD2   LEU  104  17.13 +/- 3.93   0.588% *  0.0930% (0.12   0.02   0.02) =   0.006%
          QD    LYS+  66 - QD2   LEU  104  15.10 +/- 4.05   0.717% *  0.0376% (0.05   0.02   0.02) =   0.003%
          HG    LEU  115 - QD2   LEU  104  14.66 +/- 1.61   0.353% *  0.0457% (0.06   0.02   0.02) =   0.002%
    Distance limit 2.97 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.816, support = 0.02, residual support = 0.448:
        T HA    ALA   61 - QG2   VAL   18   7.77 +/- 4.42  26.202% * 46.5616% (0.87 10.00   0.02   0.58) =  73.081%  kept
        T HA    ALA   61 - QG1   VAL   41  11.94 +/- 2.32   8.100% * 35.5837% (0.66 10.00   0.02   0.11) =  17.264%  kept
          HD2   PRO   68 - QG2   VAL   18  10.33 +/- 3.79  12.815% *  5.2615% (0.98  1.00   0.02   0.02) =   4.039%  kept
          HD2   PRO   68 - QG1   VAL   41  10.40 +/- 1.85   9.381% *  4.0210% (0.75  1.00   0.02   0.02) =   2.259%  kept
          HA    VAL   24 - QG2   VAL   18  11.29 +/- 1.53   8.459% *  2.6128% (0.49  1.00   0.02   0.02) =   1.324%  kept
          HA    VAL   24 - QG1   VAL   41  10.88 +/- 2.40   7.169% *  1.9968% (0.37  1.00   0.02   0.02) =   0.858%  kept
          HD3   PRO   58 - QG2   VAL   18  12.84 +/- 3.37   7.365% *  1.0623% (0.20  1.00   0.02   0.02) =   0.469%  kept
          HD2   PRO   68 - QD2   LEU  104  13.27 +/- 4.23   5.726% *  0.8085% (0.15  1.00   0.02   0.02) =   0.277%  kept
          HA    VAL   24 - QD2   LEU  104  15.85 +/- 3.94   8.901% *  0.4015% (0.07  1.00   0.02   0.02) =   0.214%  kept
          HD3   PRO   58 - QG1   VAL   41  16.60 +/- 2.13   2.354% *  0.8118% (0.15  1.00   0.02   0.02) =   0.114%  kept
          HA    ALA   61 - QD2   LEU  104  15.84 +/- 1.90   2.006% *  0.7155% (0.13  1.00   0.02   0.02) =   0.086%
          HD3   PRO   58 - QD2   LEU  104  18.45 +/- 1.94   1.521% *  0.1632% (0.03  1.00   0.02   0.02) =   0.015%
    Distance limit 2.97 A violated in 15 structures by 2.50 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.25, residual support = 75.9:
      O T HA    VAL   41 - QG1   VAL   41   2.70 +/- 0.35  79.598% * 98.8372% (0.65  10.0 10.00   4.25  75.96) =  99.966%  kept
        T HA    VAL   41 - QG2   VAL   18  10.36 +/- 2.81   2.536% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.024%
          HA    PHE   45 - QG2   VAL   18  12.12 +/- 4.54   1.664% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG1   VAL   41  12.05 +/- 1.26   1.230% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   41 - QD2   LEU  104   8.54 +/- 1.73   3.263% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  12.75 +/- 4.37   2.765% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  13.61 +/- 2.53   1.783% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QD2   LEU  104  12.75 +/- 7.13   6.639% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.86 +/- 1.14   0.522% *  0.0082% (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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 0.02, residual support = 0.101:
          QD    PHE   60 - QG1   VAL   18   8.15 +/- 3.37  37.582% * 36.4324% (1.00   0.02   0.17) =  52.839%  kept
          HN    LYS+  66 - QG1   VAL   18   8.59 +/- 4.56  36.913% * 25.0257% (0.69   0.02   0.02) =  35.649%  kept
          QE    PHE   59 - QG1   VAL   18  10.38 +/- 2.61  21.409% *  8.1111% (0.22   0.02   0.02) =   6.701%  kept
          HN    LYS+  81 - QG1   VAL   18  17.40 +/- 6.48   4.096% * 30.4309% (0.84   0.02   0.02) =   4.810%  kept
    Distance limit 3.17 A violated in 19 structures by 3.63 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 = 76.7:
          HN    VAL   18 - QG1   VAL   18   3.42 +/- 0.37  97.035% * 99.8229% (0.92   5.47  76.66) =  99.995%  kept
          HN    SER   13 - QG1   VAL   18  12.53 +/- 1.92   2.965% *  0.1771% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.70 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 = 0.313, support = 1.47, residual support = 1.29:
          HN    LYS+  74 - QG1   VAL   18   6.44 +/- 6.26  64.324% * 92.3483% (0.31   1.49   1.31) =  98.724%  kept
          HN    THR   46 - QG1   VAL   18  12.20 +/- 5.61  11.668% *  2.9228% (0.73   0.02   0.02) =   0.567%  kept
          HN    MET   92 - QG1   VAL   18  17.14 +/- 5.09   6.355% *  3.6098% (0.90   0.02   0.02) =   0.381%  kept
          HN    ASP- 113 - QG1   VAL   18  17.32 +/- 3.25  17.652% *  1.1191% (0.28   0.02   0.02) =   0.328%  kept
    Distance limit 3.62 A violated in 8 structures by 2.62 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.823, support = 4.8, residual support = 22.3:
          HN    ILE   19 - QG1   VAL   18   2.98 +/- 0.38  69.425% * 94.2798% (0.84   4.87  22.78) =  98.010%  kept
          HN    LEU   73 - QG1   VAL   18   6.64 +/- 5.13  23.499% *  5.6285% (0.20   1.23   0.23) =   1.981%  kept
          HN    VAL   42 - QG1   VAL   18   8.77 +/- 4.30   7.076% *  0.0916% (0.20   0.02   0.02) =   0.010%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.724, support = 0.608, residual support = 0.18:
          QD    PHE   60 - QG2   VAL   18   8.39 +/- 2.90  14.841% * 32.2462% (0.80   0.55   0.17) =  42.160%  kept
          QD    PHE   60 - QG1   VAL   41  10.80 +/- 1.86   9.143% * 44.4654% (0.61   0.99   0.29) =  35.815%  kept
          HN    LYS+  66 - QG2   VAL   18   8.27 +/- 4.59  21.541% *  6.8147% (0.98   0.09   0.02) =  12.932%  kept
          QE    PHE   59 - QG1   VAL   41  10.66 +/- 2.30   8.574% *  4.1583% (0.43   0.13   0.02) =   3.141%  kept
          QE    PHE   59 - QG2   VAL   18  10.44 +/- 2.04   5.485% *  5.5531% (0.57   0.13   0.02) =   2.684%  kept
          HN    PHE   59 - QG2   VAL   18  11.65 +/- 3.20   7.556% *  2.1837% (0.22   0.13   0.02) =   1.454%  kept
          HN    LYS+  66 - QG1   VAL   41  11.34 +/- 3.13  11.219% *  1.1003% (0.75   0.02   0.02) =   1.088%  kept
          HN    PHE   59 - QG1   VAL   41  14.84 +/- 2.20   2.338% *  1.6352% (0.17   0.13   0.02) =   0.337%  kept
          HN    LYS+  81 - QG2   VAL   18  17.79 +/- 5.82   1.698% *  0.6585% (0.45   0.02   0.02) =   0.098%
          HN    LYS+  81 - QG1   VAL   41  17.91 +/- 3.52   2.009% *  0.5033% (0.34   0.02   0.02) =   0.089%
          QE    PHE   59 - QD2   LEU  104  11.45 +/- 2.86   6.278% *  0.1278% (0.09   0.02   0.02) =   0.071%
          QD    PHE   60 - QD2   LEU  104  13.63 +/- 1.73   4.206% *  0.1807% (0.12   0.02   0.02) =   0.067%
          HN    LYS+  66 - QD2   LEU  104  15.13 +/- 3.42   2.447% *  0.2212% (0.15   0.02   0.02) =   0.048%
          HN    LYS+  81 - QD2   LEU  104  21.44 +/- 3.80   1.055% *  0.1012% (0.07   0.02   0.02) =   0.009%
          HN    PHE   59 - QD2   LEU  104  16.72 +/- 2.21   1.610% *  0.0503% (0.03   0.02   0.02) =   0.007%
    Distance limit 3.23 A violated in 11 structures by 2.17 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 76.6:
          HN    VAL   18 - QG2   VAL   18   2.55 +/- 0.66  68.749% * 98.1405% (0.61   5.26  76.66) =  99.915%  kept
          HN    GLU-  29 - QG2   VAL   18  12.03 +/- 2.51   3.456% *  0.4472% (0.73   0.02   0.02) =   0.023%
          HN    GLN   30 - QG2   VAL   18  10.80 +/- 2.07   9.177% *  0.1536% (0.25   0.02   0.02) =   0.021%
          HN    GLU-  29 - QG1   VAL   41   9.88 +/- 2.26   3.337% *  0.3417% (0.55   0.02   0.02) =   0.017%
          HN    GLN   30 - QG1   VAL   41   7.99 +/- 2.19   7.863% *  0.1173% (0.19   0.02   0.02) =   0.014%
          HN    VAL   18 - QG1   VAL   41  11.56 +/- 2.52   1.394% *  0.2854% (0.46   0.02   0.02) =   0.006%
          HN    GLU-  29 - QD2   LEU  104  15.60 +/- 3.42   1.938% *  0.0687% (0.11   0.02   0.02) =   0.002%
          HN    ASP-  86 - QG1   VAL   41  18.07 +/- 4.18   0.493% *  0.1453% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QD2   LEU  104  14.20 +/- 2.92   2.479% *  0.0236% (0.04   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG2   VAL   18  20.43 +/- 5.78   0.235% *  0.1901% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - QD2   LEU  104  16.71 +/- 2.96   0.430% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  19.79 +/- 4.96   0.449% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.53, residual support = 75.9:
          HN    VAL   41 - QG1   VAL   41   2.37 +/- 0.49  82.884% * 96.5378% (0.14   4.53  75.96) =  99.881%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.36 +/- 0.67   4.170% *  2.0152% (0.01   1.20   0.02) =   0.105%  kept
          HN    LYS+ 106 - QG1   VAL   41  11.79 +/- 1.20   0.755% *  0.6228% (0.20   0.02   0.02) =   0.006%
          HN    VAL   41 - QG2   VAL   18  11.75 +/- 2.07   0.897% *  0.3255% (0.10   0.02   0.02) =   0.004%
          HN    VAL   41 - QD2   LEU  104   6.93 +/- 2.25  11.003% *  0.0229% (0.01   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   VAL   18  17.48 +/- 2.30   0.290% *  0.4759% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.356, support = 5.33, residual support = 85.2:
          HN    VAL   83 - QG1   VAL   83   3.03 +/- 0.34  92.056% * 98.5341% (0.36   5.33  85.22) =  99.954%  kept
          HN    CYS   50 - QG1   VAL   83  13.50 +/- 3.28   3.145% *  0.7794% (0.75   0.02   0.02) =   0.027%
          HN    TRP   49 - QG1   VAL   83  12.64 +/- 3.00   2.564% *  0.5087% (0.49   0.02   0.02) =   0.014%
          HE22  GLN   30 - QG1   VAL   83  15.64 +/- 6.00   2.235% *  0.1778% (0.17   0.02   0.02) =   0.004%
    Distance limit 3.19 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
        T QG1   VAL  107 - QG1   VAL   83  13.26 +/- 2.72  17.431% * 62.4465% (0.75 10.00   0.02   0.02) =  61.872%  kept
        T HG    LEU   63 - QG1   VAL   83  15.89 +/- 3.54  15.673% * 27.0188% (0.33 10.00   0.02   0.02) =  24.071%  kept
          QG2   VAL   24 - QG1   VAL   83   9.98 +/- 5.24  31.938% *  3.7876% (0.46  1.00   0.02   0.02) =   6.876%  kept
          QG1   VAL   24 - QG1   VAL   83  10.29 +/- 5.10  27.625% *  3.7876% (0.46  1.00   0.02   0.02) =   5.948%  kept
          HD3   LYS+ 112 - QG1   VAL   83  19.16 +/- 3.73   7.333% *  2.9596% (0.36  1.00   0.02   0.02) =   1.234%  kept
    Distance limit 3.06 A violated in 15 structures by 4.83 A, eliminated.
    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 = 0.515, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  14.17 +/- 3.17  23.094% * 27.9530% (0.14 10.00   0.02   0.02) =  41.592%  kept
          HB2   PRO   58 - HA    ILE   19  17.41 +/- 3.76  16.712% * 19.0666% (0.92  1.00   0.02   0.02) =  20.530%  kept
          HB3   PHE   97 - HA    ILE   19  17.31 +/- 2.31  11.709% * 19.0666% (0.92  1.00   0.02   0.02) =  14.384%  kept
          HB2   GLU- 100 - HA    ILE   19  19.00 +/- 2.65   9.814% * 14.1878% (0.69  1.00   0.02   0.02) =   8.971%  kept
          HB2   GLN  116 - HA    ILE   19  20.91 +/- 3.71   7.651% * 16.5389% (0.80  1.00   0.02   0.02) =   8.152%  kept
          QG    GLU-  79 - HA    ILE   19  14.64 +/- 5.75  31.021% *  3.1869% (0.15  1.00   0.02   0.02) =   6.370%  kept
    Distance limit 3.90 A violated in 19 structures by 6.45 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   2.28 +/- 0.09  99.548% * 99.9363% (0.73  10.0   5.04  25.54) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  15.66 +/- 2.42   0.359% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  24.18 +/- 2.52   0.093% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.72, residual support = 171.5:
      O   HN    ILE   19 - HA    ILE   19   2.87 +/- 0.06  88.829% * 99.8764% (0.98  10.0   6.72 171.51) =  99.992%  kept
          HN    LEU   73 - HA    ILE   19   7.96 +/- 3.84   8.607% *  0.0618% (0.61   1.0   0.02   4.64) =   0.006%
          HN    VAL   42 - HA    ILE   19  11.09 +/- 2.73   2.564% *  0.0618% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.73 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 = 2.3, residual support = 4.64:
          HA    LEU   73 - HB    ILE   19   5.85 +/- 5.47 100.000% *100.0000% (0.95   2.30   4.64) = 100.000%  kept
    Distance limit 3.95 A violated in 6 structures by 2.53 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.656, support = 5.81, residual support = 166.7:
      O   HN    ILE   19 - HB    ILE   19   2.68 +/- 0.52  74.443% * 90.4069% (0.65  10.0   5.94 171.51) =  97.100%  kept
          HN    LEU   73 - HB    ILE   19   6.28 +/- 4.35  21.285% *  9.4194% (0.97   1.0   1.40   4.64) =   2.893%  kept
          HN    VAL   42 - HB    ILE   19   9.45 +/- 3.22   3.957% *  0.1349% (0.97   1.0   0.02   0.02) =   0.008%
          HN    LYS+ 106 - HB    ILE   19  20.02 +/- 2.07   0.315% *  0.0389% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 171.3:
      O   HG13  ILE   19 - QG2   ILE   19   2.63 +/- 0.32  65.665% * 98.1968% (0.28  10.0   4.89 171.51) =  99.853%  kept
          QB    ALA   34 - QG2   ILE   19   6.69 +/- 1.66  15.376% *  0.3501% (0.99   1.0   0.02   0.02) =   0.083%
          QG2   THR   23 - QG2   ILE   19   6.71 +/- 1.23   7.166% *  0.2699% (0.76   1.0   0.02   0.02) =   0.030%
          QG2   THR   39 - QG2   ILE   19   7.85 +/- 2.67   7.362% *  0.2142% (0.61   1.0   0.02   0.02) =   0.024%
          QG2   ILE   56 - QG2   ILE   19  14.52 +/- 2.76   0.637% *  0.3462% (0.98   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  38 - QG2   ILE   19  13.67 +/- 2.36   0.578% *  0.3064% (0.87   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  74 - QG2   ILE   19   9.58 +/- 3.14   2.161% *  0.0478% (0.14   1.0   0.02   7.80) =   0.002%
          QB    ALA   91 - QG2   ILE   19  16.24 +/- 2.19   0.351% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QG2   ILE   19  14.36 +/- 2.85   0.705% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.945, support = 5.43, residual support = 171.2:
      O   HG12  ILE   19 - QG2   ILE   19   3.01 +/- 0.33  60.368% * 98.5986% (0.95  10.0  1.00   5.44 171.51) =  99.795%  kept
          HG    LEU   73 - QG2   ILE   19   6.21 +/- 3.34  18.939% *  0.5582% (0.53   1.0  1.00   0.20   4.64) =   0.177%  kept
          QB    ALA   61 - QG2   ILE   19  10.15 +/- 2.40   4.831% *  0.1022% (0.98   1.0  1.00   0.02   0.02) =   0.008%
        T QB    LEU   98 - QG2   ILE   19  11.51 +/- 1.69   1.832% *  0.1825% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  74 - QG2   ILE   19   7.96 +/- 3.19   5.821% *  0.0391% (0.38   1.0  1.00   0.02   7.80) =   0.004%
          HB3   LEU   67 - QG2   ILE   19  10.69 +/- 2.76   2.247% *  0.0935% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   80 - QG2   ILE   19  15.41 +/- 6.36   1.209% *  0.1033% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   ILE   19  12.33 +/- 2.02   1.381% *  0.0757% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG2   ILE   19  16.78 +/- 4.45   1.514% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   ILE   19  15.31 +/- 5.54   1.024% *  0.0590% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  17.60 +/- 1.71   0.369% *  0.1022% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   ILE   19  17.23 +/- 2.37   0.465% *  0.0429% (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 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 4.85, residual support = 169.4:
      O   HB    ILE   19 - QG2   ILE   19   2.11 +/- 0.01  64.723% * 96.2824% (0.80  10.0   4.89 171.51) =  98.663%  kept
          HG3   GLN   30 - QG2   ILE   19   3.70 +/- 1.37  27.770% *  3.0116% (0.22   1.0   2.25  14.80) =   1.324%  kept
          HB2   GLN   17 - QG2   ILE   19   6.67 +/- 1.08   2.949% *  0.1110% (0.92   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  25 - QG2   ILE   19   9.43 +/- 1.51   1.775% *  0.1200% (1.00   1.0   0.02   0.02) =   0.003%
          QB    GLU-  15 - QG2   ILE   19   7.47 +/- 1.04   1.625% *  0.1110% (0.92   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG2   ILE   19  12.96 +/- 2.06   0.434% *  0.0873% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE   19  12.78 +/- 2.46   0.472% *  0.0681% (0.57   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - QG2   ILE   19  16.86 +/- 2.72   0.172% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  20.97 +/- 2.65   0.080% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.11, residual support = 14.7:
          HG2   GLN   30 - QG2   ILE   19   3.59 +/- 0.88  69.642% * 96.5540% (0.65   2.12  14.80) =  99.582%  kept
          QE    LYS+ 121 - QG2   ILE   19  15.01 +/- 4.47   9.383% *  1.4026% (1.00   0.02   0.02) =   0.195%  kept
          HB3   ASN   28 - QG2   ILE   19   9.41 +/- 1.61  13.283% *  0.5779% (0.41   0.02   0.02) =   0.114%  kept
          HB3   HIS  122 - QG2   ILE   19  14.82 +/- 3.79   5.635% *  1.2194% (0.87   0.02   0.02) =   0.102%  kept
          HB3   ASP-  78 - QG2   ILE   19  15.88 +/- 3.89   2.058% *  0.2462% (0.18   0.02   0.02) =   0.008%
    Distance limit 3.95 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 171.5:
      O   HA    ILE   19 - QG2   ILE   19   2.38 +/- 0.26  95.446% * 99.7522% (0.92  10.0   5.74 171.51) =  99.995%  kept
          HA    GLU-  25 - QG2   ILE   19   9.16 +/- 1.53   3.933% *  0.1081% (1.00   1.0   0.02   0.02) =   0.004%
          HA    CYS   53 - QG2   ILE   19  17.93 +/- 3.13   0.355% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  19.87 +/- 5.09   0.267% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.65, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   2.81 +/- 0.71  98.040% * 97.8906% (0.31   3.65  25.54) =  99.976%  kept
          HN    PHE   45 - QG2   ILE   19  13.49 +/- 1.84   1.544% *  1.2629% (0.73   0.02   0.02) =   0.020%
          HN    ALA  110 - QG2   ILE   19  20.64 +/- 2.39   0.416% *  0.8465% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.35 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.648, support = 5.73, residual support = 171.0:
          HN    ILE   19 - QG2   ILE   19   3.45 +/- 0.39  62.171% * 98.8270% (0.65   5.75 171.51) =  99.688%  kept
          HN    LEU   73 - QG2   ILE   19   6.50 +/- 3.04  22.609% *  0.5127% (0.97   0.02   4.64) =   0.188%  kept
          HN    VAL   42 - QG2   ILE   19   9.00 +/- 2.40  14.689% *  0.5127% (0.97   0.02   0.02) =   0.122%  kept
          HN    LYS+ 106 - QG2   ILE   19  17.87 +/- 2.22   0.531% *  0.1477% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.86 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 = 0.275, support = 0.129, residual support = 0.765:
          QD1   LEU   40 - HG    LEU   71   6.57 +/- 2.88  30.342% * 29.2445% (0.06   0.24   1.50) =  50.295%  kept
          QD2   LEU   67 - HG13  ILE   19  10.06 +/- 4.36  14.774% * 28.7454% (0.69   0.02   0.02) =  24.071%  kept
          QD1   LEU   40 - HG13  ILE   19   9.56 +/- 2.77  16.329% * 17.2041% (0.41   0.02   0.02) =  15.923%  kept
          QD2   LEU   67 - HG    LEU   71   8.15 +/- 2.36  21.807% *  4.1205% (0.10   0.02   0.02) =   5.093%  kept
          QG2   ILE  119 - HG13  ILE   19  14.74 +/- 3.19   4.151% * 11.6352% (0.28   0.02   0.02) =   2.738%  kept
          QD1   ILE  103 - HG13  ILE   19  15.38 +/- 1.88   3.335% *  6.4569% (0.15   0.02   0.02) =   1.221%  kept
          QG2   ILE  119 - HG    LEU   71  13.81 +/- 3.39   4.126% *  1.6678% (0.04   0.02   0.02) =   0.390%  kept
          QD1   ILE  103 - HG    LEU   71  13.71 +/- 3.17   5.135% *  0.9256% (0.02   0.02   0.02) =   0.269%  kept
    Distance limit 3.11 A violated in 13 structures by 2.03 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 = 0.642, support = 5.87, residual support = 168.8:
          HN    ILE   19 - HG13  ILE   19   2.93 +/- 0.73  59.775% * 87.3762% (0.65   5.95 171.51) =  98.425%  kept
          HN    LEU   73 - HG    LEU   71   8.20 +/- 0.96   4.056% *  6.3617% (0.14   2.02   1.05) =   0.486%  kept
          HN    VAL   42 - HG    LEU   71   8.24 +/- 2.68   8.364% *  2.6703% (0.14   0.85   0.89) =   0.421%  kept
          HN    LEU   73 - HG13  ILE   19   7.59 +/- 4.37  12.067% *  1.7330% (0.97   0.08   4.64) =   0.394%  kept
          HN    ILE   19 - HG    LEU   71   9.03 +/- 4.65   9.595% *  1.2760% (0.09   0.61   1.17) =   0.231%  kept
          HN    VAL   42 - HG13  ILE   19   9.94 +/- 3.20   5.083% *  0.4384% (0.97   0.02   0.02) =   0.042%
          HN    LYS+ 106 - HG13  ILE   19  20.86 +/- 2.23   0.266% *  0.1263% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  18.71 +/- 3.55   0.794% *  0.0181% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.25, residual support = 14.8:
          HE22  GLN   30 - QG2   ILE   19   3.54 +/- 0.77  93.753% * 97.4789% (0.41   2.25  14.80) =  99.912%  kept
          HD22  ASN   69 - QG2   ILE   19  13.03 +/- 2.03   3.246% *  2.1038% (1.00   0.02   0.02) =   0.075%
          QE    PHE   45 - QG2   ILE   19  12.17 +/- 2.14   3.001% *  0.4173% (0.20   0.02   0.02) =   0.014%
    Distance limit 4.14 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.06, residual support = 14.8:
          HE21  GLN   30 - QG2   ILE   19   3.36 +/- 0.99  79.377% * 97.4829% (1.00   2.06  14.80) =  99.778%  kept
          HD1   TRP   27 - QG2   ILE   19   8.21 +/- 1.29  13.100% *  0.8215% (0.87   0.02   0.02) =   0.139%  kept
          HH2   TRP   49 - QG2   ILE   19  20.79 +/- 4.67   4.727% *  0.8742% (0.92   0.02   0.02) =   0.053%
          QD    PHE   59 - QG2   ILE   19  12.89 +/- 1.88   2.796% *  0.8215% (0.87   0.02   0.02) =   0.030%
    Distance limit 4.11 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.25, support = 2.11, residual support = 14.8:
          HE22  GLN   30 - QD1   ILE   19   3.99 +/- 1.14  90.637% * 93.6410% (0.25   2.11  14.80) =  99.742%  kept
          HN    CYS   50 - QD1   ILE   19  19.07 +/- 3.68   4.321% *  2.8466% (0.80   0.02   0.02) =   0.145%  kept
          HN    TRP   49 - QD1   ILE   19  19.65 +/- 3.57   3.270% *  2.2997% (0.65   0.02   0.02) =   0.088%
          HN    VAL   83 - QD1   ILE   19  18.53 +/- 4.96   1.772% *  1.2126% (0.34   0.02   0.02) =   0.025%
    Distance limit 4.28 A violated in 1 structures by 0.35 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  17.55 +/- 2.16 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.07 A violated in 20 structures by 13.48 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 3.83, residual support = 25.5:
          HA    ILE   19 - QB    ALA   20   3.89 +/- 0.09  82.973% * 98.7205% (0.92   3.83  25.54) =  99.897%  kept
          HA    GLU-  25 - QB    ALA   20   9.94 +/- 1.93  11.290% *  0.5579% (1.00   0.02   0.02) =   0.077%
          HA    CYS   53 - QB    ALA   20  15.80 +/- 4.22   4.491% *  0.3832% (0.69   0.02   0.02) =   0.021%
          HA    SER   82 - QB    ALA   20  18.17 +/- 5.54   1.246% *  0.3384% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 0.02, residual support = 3.29:
          QE    LYS+  74 - QB    ALA   20   7.13 +/- 4.24  47.271% * 25.4326% (0.90   0.02   5.95) =  55.146%  kept
          HB2   PHE   72 - QB    ALA   20   8.99 +/- 2.45  24.503% * 16.0552% (0.57   0.02   0.02) =  18.045%  kept
          QB    CYS   50 - QB    ALA   20  13.16 +/- 3.83  13.369% * 26.1780% (0.92   0.02   0.02) =  16.053%  kept
          HB3   ASN   69 - QB    ALA   20  15.07 +/- 2.21   7.174% * 27.3678% (0.97   0.02   0.02) =   9.006%  kept
          HB3   ASP-  78 - QB    ALA   20  13.23 +/- 4.89   7.683% *  4.9664% (0.18   0.02   0.02) =   1.750%  kept
    Distance limit 3.73 A violated in 12 structures by 2.59 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.825, support = 2.22, residual support = 5.3:
          HD2   HIS   22 - QB    ALA   20   3.48 +/- 0.58  57.567% * 61.0377% (0.92   2.22   6.12) =  75.352%  kept
          HN    THR   23 - QB    ALA   20   4.71 +/- 1.17  32.712% * 34.9287% (0.53   2.23   2.81) =  24.503%  kept
          HD1   TRP   49 - QB    ALA   20  16.97 +/- 4.18   1.593% *  2.8044% (0.99   0.10   0.02) =   0.096%
          HN    LEU   67 - QB    ALA   20  12.12 +/- 2.54   2.380% *  0.5341% (0.90   0.02   0.02) =   0.027%
          QE    PHE   95 - QB    ALA   20  12.72 +/- 1.21   1.514% *  0.2899% (0.49   0.02   0.02) =   0.009%
          QD    PHE   55 - QB    ALA   20  16.49 +/- 4.29   3.374% *  0.0919% (0.15   0.02   0.02) =   0.007%
          HD21  ASN   35 - QB    ALA   20  16.32 +/- 1.86   0.860% *  0.3133% (0.53   0.02   0.02) =   0.006%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.89, residual support = 16.6:
          HN    CYS   21 - QB    ALA   20   3.49 +/- 0.21  93.287% * 99.1298% (0.95   3.89  16.64) =  99.982%  kept
          HN    LYS+  33 - QB    ALA   20  12.12 +/- 1.23   2.591% *  0.3265% (0.61   0.02   0.02) =   0.009%
          HN    ILE  119 - QB    ALA   20  16.34 +/- 3.34   1.703% *  0.2832% (0.53   0.02   0.02) =   0.005%
          HN    ILE   89 - QB    ALA   20  18.07 +/- 4.36   1.050% *  0.1662% (0.31   0.02   0.02) =   0.002%
          HN    SER   37 - QB    ALA   20  14.99 +/- 1.65   1.370% *  0.0943% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.99 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   2.19 +/- 0.14  99.133% * 99.6086% (0.31  10.0   3.73  15.21) =  99.998%  kept
          HN    PHE   45 - QB    ALA   20  12.61 +/- 2.38   0.704% *  0.2343% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   20  19.70 +/- 2.02   0.163% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.602, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  10.95 +/- 3.02  16.409% *  9.0526% (0.65   0.02   0.02) =  21.214%  kept
          HG    LEU  123 - HB2   CYS   21  21.87 +/- 5.76   7.539% * 13.7167% (0.98   0.02   0.02) =  14.767%  kept
          QB    LYS+  33 - HB2   CYS   21  10.45 +/- 2.45  19.927% *  4.7734% (0.34   0.02   0.02) =  13.584%  kept
          QB    LYS+  66 - HB2   CYS   21  14.94 +/- 3.41  10.368% *  6.2738% (0.45   0.02   0.02) =   9.289%  kept
          HG12  ILE  103 - HB2   CYS   21  16.09 +/- 2.67   5.200% * 11.2053% (0.80   0.02   0.02) =   8.322%  kept
          HG2   ARG+  54 - HB2   CYS   21  20.77 +/- 5.26   7.581% *  6.8115% (0.49   0.02   0.02) =   7.375%  kept
          HG3   PRO   68 - HB2   CYS   21  17.89 +/- 3.28   5.158% *  7.9226% (0.57   0.02   0.02) =   5.836%  kept
          HB3   PRO   52 - HB2   CYS   21  22.85 +/- 4.76   2.276% * 13.7167% (0.98   0.02   0.02) =   4.458%  kept
          HB    ILE  103 - HB2   CYS   21  18.09 +/- 2.77   3.652% *  7.3624% (0.53   0.02   0.02) =   3.840%  kept
          QB    LYS+  81 - HB2   CYS   21  16.67 +/- 6.10   7.691% *  3.1155% (0.22   0.02   0.02) =   3.422%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.64 +/- 3.40   3.330% *  6.2738% (0.45   0.02   0.02) =   2.984%  kept
          HG2   PRO   93 - HB2   CYS   21  18.83 +/- 3.45   4.246% *  3.1155% (0.22   0.02   0.02) =   1.889%  kept
          QB    LYS+ 106 - HB2   CYS   21  16.95 +/- 2.18   4.118% *  2.7693% (0.20   0.02   0.02) =   1.629%  kept
          HB3   GLN   90 - HB2   CYS   21  21.36 +/- 4.45   2.506% *  3.8908% (0.28   0.02   0.02) =   1.392%  kept
    Distance limit 3.82 A violated in 18 structures by 3.84 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 1.48, residual support = 9.47:
          QD1   LEU   73 - HB2   CYS   21   4.90 +/- 3.79  41.382% * 94.3053% (0.80   1.50   9.56) =  98.983%  kept
          QD1   LEU   63 - HB2   CYS   21  11.38 +/- 2.75   6.583% *  1.2574% (0.80   0.02   0.02) =   0.210%  kept
          QD2   LEU   80 - HB2   CYS   21  11.60 +/- 7.73  11.167% *  0.6456% (0.41   0.02   0.02) =   0.183%  kept
          QG2   VAL   41 - HB2   CYS   21   8.88 +/- 2.88  11.496% *  0.5894% (0.38   0.02   0.02) =   0.172%  kept
          QD2   LEU   63 - HB2   CYS   21  12.02 +/- 2.46   4.234% *  1.4496% (0.92   0.02   0.02) =   0.156%  kept
          QD2   LEU  115 - HB2   CYS   21  14.81 +/- 3.24   8.219% *  0.7040% (0.45   0.02   0.02) =   0.147%  kept
          QD1   LEU  104 - HB2   CYS   21  15.15 +/- 3.38  10.146% *  0.3496% (0.22   0.02   0.02) =   0.090%
          QD1   LEU   80 - HB2   CYS   21  12.88 +/- 7.99   3.396% *  0.3496% (0.22   0.02   0.02) =   0.030%
          QD2   LEU   98 - HB2   CYS   21  11.76 +/- 3.19   3.378% *  0.3496% (0.22   0.02   0.02) =   0.030%
    Distance limit 3.84 A violated in 2 structures by 0.57 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.77, residual support = 30.2:
      O T HA    CYS   21 - HB2   CYS   21   2.56 +/- 0.23  95.348% * 99.6850% (0.92  10.0 10.00   2.77  30.16) =  99.996%  kept
          HA    TRP   49 - HB2   CYS   21  20.31 +/- 6.00   3.174% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   50 - HB2   CYS   21  18.75 +/- 4.89   0.870% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HB2   CYS   21  18.39 +/- 3.30   0.443% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  22.88 +/- 2.23   0.164% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.797, support = 3.34, residual support = 6.98:
          HD2   HIS   22 - HB2   CYS   21   5.61 +/- 0.89  36.304% * 71.1555% (0.92   3.72   8.49) =  68.044%  kept
          HN    THR   23 - HB2   CYS   21   5.03 +/- 0.90  43.743% * 27.5789% (0.53   2.53   3.80) =  31.777%  kept
          HD1   TRP   49 - HB2   CYS   21  19.95 +/- 5.84  11.522% *  0.4106% (0.99   0.02   0.02) =   0.125%  kept
          HN    LEU   67 - HB2   CYS   21  14.67 +/- 3.35   3.071% *  0.3715% (0.90   0.02   0.02) =   0.030%
          HD21  ASN   35 - HB2   CYS   21  16.05 +/- 2.79   2.041% *  0.2180% (0.53   0.02   0.02) =   0.012%
          QE    PHE   95 - HB2   CYS   21  14.25 +/- 2.06   2.003% *  0.2016% (0.49   0.02   0.02) =   0.011%
          QD    PHE   55 - HB2   CYS   21  20.01 +/- 4.42   1.316% *  0.0639% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 30.2:
      O   HN    CYS   21 - HB2   CYS   21   2.62 +/- 0.29  96.288% * 99.8294% (0.95  10.0   3.43  30.16) =  99.998%  kept
          HN    LYS+  33 - HB2   CYS   21  11.35 +/- 2.28   1.814% *  0.0640% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   CYS   21  18.99 +/- 3.92   0.755% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.21 +/- 2.32   0.730% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  19.34 +/- 6.48   0.414% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.414, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  11.77 +/- 3.16  15.051% *  9.0526% (0.44   0.02   0.02) =  19.586%  kept
          HG    LEU  123 - HB3   CYS   21  22.86 +/- 6.17   7.425% * 13.7167% (0.67   0.02   0.02) =  14.641%  kept
          QB    LYS+  33 - HB3   CYS   21  10.95 +/- 2.42  19.543% *  4.7734% (0.23   0.02   0.02) =  13.410%  kept
          HG12  ILE  103 - HB3   CYS   21  16.59 +/- 3.18   5.559% * 11.2053% (0.55   0.02   0.02) =   8.954%  kept
          QB    LYS+  66 - HB3   CYS   21  16.09 +/- 3.49   9.558% *  6.2738% (0.31   0.02   0.02) =   8.620%  kept
          HG2   ARG+  54 - HB3   CYS   21  21.29 +/- 5.38   7.417% *  6.8115% (0.33   0.02   0.02) =   7.262%  kept
          HG3   PRO   68 - HB3   CYS   21  19.21 +/- 3.40   4.837% *  7.9226% (0.39   0.02   0.02) =   5.509%  kept
          HB3   PRO   52 - HB3   CYS   21  23.17 +/- 5.01   2.712% * 13.7167% (0.67   0.02   0.02) =   5.348%  kept
          HB    ILE  103 - HB3   CYS   21  18.50 +/- 3.25   3.950% *  7.3624% (0.36   0.02   0.02) =   4.181%  kept
          QB    LYS+  81 - HB3   CYS   21  16.39 +/- 6.41   9.334% *  3.1155% (0.15   0.02   0.02) =   4.180%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.28 +/- 4.02   3.693% *  6.2738% (0.31   0.02   0.02) =   3.331%  kept
          HG2   PRO   93 - HB3   CYS   21  19.30 +/- 3.60   3.920% *  3.1155% (0.15   0.02   0.02) =   1.756%  kept
          QB    LYS+ 106 - HB3   CYS   21  17.30 +/- 2.66   4.294% *  2.7693% (0.14   0.02   0.02) =   1.709%  kept
          HB3   GLN   90 - HB3   CYS   21  21.22 +/- 4.41   2.707% *  3.8908% (0.19   0.02   0.02) =   1.514%  kept
    Distance limit 3.92 A violated in 18 structures by 4.16 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 1.94, residual support = 3.17:
          QG2   THR   26 - HB3   CYS   21   4.56 +/- 2.35  45.023% * 74.1116% (0.60   2.16   2.42) =  85.632%  kept
          HB2   LYS+  74 - HB3   CYS   21   9.48 +/- 4.69  23.327% * 23.4282% (0.69   0.59   7.80) =  14.025%  kept
          HG2   LYS+  65 - HB3   CYS   21  15.90 +/- 4.43  10.743% *  0.6321% (0.55   0.02   0.02) =   0.174%  kept
          QB    ALA  120 - HB3   CYS   21  18.96 +/- 5.23  11.935% *  0.2693% (0.23   0.02   0.02) =   0.082%
          HB3   LEU   40 - HB3   CYS   21  15.48 +/- 2.59   2.958% *  0.4469% (0.39   0.02   0.02) =   0.034%
          HD2   LYS+ 121 - HB3   CYS   21  21.01 +/- 5.23   1.282% *  0.5732% (0.50   0.02   0.02) =   0.019%
          QD    LYS+  66 - HB3   CYS   21  17.55 +/- 3.94   2.507% *  0.2693% (0.23   0.02   0.02) =   0.017%
          HG    LEU  115 - HB3   CYS   21  18.68 +/- 4.10   2.225% *  0.2693% (0.23   0.02   0.02) =   0.015%
    Distance limit 4.21 A violated in 3 structures by 0.60 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.548, support = 1.8, residual support = 9.47:
          QD1   LEU   73 - HB3   CYS   21   5.46 +/- 3.78  36.442% * 95.2607% (0.55   1.82   9.56) =  99.020%  kept
          QD2   LEU   80 - HB3   CYS   21  11.46 +/- 7.99  13.459% *  0.5373% (0.28   0.02   0.02) =   0.206%  kept
          QD1   LEU   63 - HB3   CYS   21  12.29 +/- 2.96   6.057% *  1.0465% (0.55   0.02   0.02) =   0.181%  kept
          QD2   LEU   63 - HB3   CYS   21  13.01 +/- 2.61   4.139% *  1.2064% (0.63   0.02   0.02) =   0.142%  kept
          QD2   LEU  115 - HB3   CYS   21  15.45 +/- 3.76   8.367% *  0.5859% (0.31   0.02   0.02) =   0.140%  kept
          QG2   VAL   41 - HB3   CYS   21   9.57 +/- 2.96   8.549% *  0.4905% (0.26   0.02   0.02) =   0.120%  kept
          QD1   LEU  104 - HB3   CYS   21  15.79 +/- 3.74   9.148% *  0.2910% (0.15   0.02   0.02) =   0.076%
          QD1   LEU   80 - HB3   CYS   21  12.69 +/- 8.28   8.339% *  0.2910% (0.15   0.02   0.02) =   0.069%
          QD2   LEU   98 - HB3   CYS   21  12.21 +/- 3.61   5.499% *  0.2910% (0.15   0.02   0.02) =   0.046%
    Distance limit 4.01 A violated in 2 structures by 0.57 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.43, residual support = 30.2:
      O   HN    CYS   21 - HB3   CYS   21   3.47 +/- 0.25  91.744% * 99.8294% (0.65  10.0   3.43  30.16) =  99.995%  kept
          HN    LYS+  33 - HB3   CYS   21  11.79 +/- 2.29   3.243% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   CYS   21  19.83 +/- 4.65   2.854% *  0.0555% (0.36   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  19.23 +/- 6.62   1.074% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  16.04 +/- 2.25   1.085% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.523, support = 0.688, residual support = 1.35:
          HN    TRP   27 - HB3   CYS   21   5.09 +/- 2.57  50.593% * 87.8408% (0.52   0.70   1.38) =  98.298%  kept
          HD1   TRP   87 - HB3   CYS   21  17.30 +/- 7.87   7.915% *  3.0352% (0.63   0.02   0.02) =   0.531%  kept
          HN    ALA   61 - HB3   CYS   21  15.08 +/- 4.21  15.283% *  1.1216% (0.23   0.02   0.02) =   0.379%  kept
          HN    THR   39 - HB3   CYS   21  15.66 +/- 2.16   3.744% *  3.1103% (0.65   0.02   0.02) =   0.258%  kept
          HN    LYS+ 102 - HB3   CYS   21  19.07 +/- 4.12   9.428% *  1.2340% (0.26   0.02   0.02) =   0.257%  kept
          HN    GLU-  36 - HB3   CYS   21  15.77 +/- 2.33   2.867% *  1.8615% (0.39   0.02   0.02) =   0.118%  kept
          HN    ALA   91 - HB3   CYS   21  19.63 +/- 4.83   2.911% *  1.3517% (0.28   0.02   0.02) =   0.087%
          HE3   TRP   87 - HB3   CYS   21  18.56 +/- 7.87   7.258% *  0.4450% (0.09   0.02   0.02) =   0.071%
    Distance limit 4.19 A violated in 8 structures by 1.32 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.55, support = 3.52, residual support = 7.04:
          HD2   HIS   22 - HB3   CYS   21   5.34 +/- 0.94  35.293% * 74.2551% (0.63   4.05   8.49) =  69.202%  kept
          HN    THR   23 - HB3   CYS   21   4.33 +/- 1.16  47.301% * 24.5323% (0.36   2.35   3.80) =  30.641%  kept
          HD1   TRP   49 - HB3   CYS   21  20.06 +/- 5.90  12.112% *  0.3934% (0.68   0.02   0.02) =   0.126%  kept
          HN    LEU   67 - HB3   CYS   21  16.05 +/- 3.29   1.656% *  0.3560% (0.62   0.02   0.02) =   0.016%
          QE    PHE   95 - HB3   CYS   21  14.89 +/- 2.39   1.638% *  0.1932% (0.33   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB3   CYS   21  16.50 +/- 2.74   0.906% *  0.2088% (0.36   0.02   0.02) =   0.005%
          QD    PHE   55 - HB3   CYS   21  20.49 +/- 4.84   1.095% *  0.0612% (0.11   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.78, residual support = 30.2:
      O T HA    CYS   21 - HB3   CYS   21   2.54 +/- 0.20  93.136% * 99.6850% (0.63  10.0 10.00   2.78  30.16) =  99.994%  kept
          HA    TRP   49 - HB3   CYS   21  20.42 +/- 6.21   5.129% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.005%
          HA    CYS   50 - HB3   CYS   21  19.05 +/- 5.15   1.059% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HB3   CYS   21  18.84 +/- 3.70   0.535% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - HB3   CYS   21  23.23 +/- 2.59   0.141% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.711, support = 2.92, residual support = 34.0:
      O   HD2   HIS   22 - HB2   HIS   22   3.83 +/- 0.31  56.587% * 87.2786% (0.74  10.0   2.72  35.25) =  91.169%  kept
          HN    THR   23 - HB2   HIS   22   4.39 +/- 0.19  38.461% * 12.4325% (0.42   1.0   5.00  21.60) =   8.827%  kept
          HD1   TRP   49 - HB2   HIS   22  20.50 +/- 5.04   1.242% *  0.0937% (0.79   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB2   HIS   22  19.17 +/- 2.20   0.518% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB2   HIS   22  17.36 +/- 2.79   0.863% *  0.0460% (0.39   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   HIS   22  21.38 +/- 6.62   1.922% *  0.0146% (0.12   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.23 +/- 2.46   0.408% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.927, support = 3.35, residual support = 34.9:
      O   HD2   HIS   22 - HB3   HIS   22   3.14 +/- 0.39  66.215% * 94.8360% (0.95  10.0   3.29  35.25) =  97.584%  kept
          HN    THR   23 - HB3   HIS   22   4.22 +/- 0.29  31.549% *  4.9235% (0.18   1.0   5.61  21.60) =   2.414%  kept
          HD1   TRP   49 - HB3   HIS   22  21.34 +/- 4.97   0.813% *  0.0837% (0.84   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   HIS   22  20.41 +/- 2.47   0.299% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  19.08 +/- 2.54   0.399% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.57 +/- 3.00   0.725% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.343, support = 3.45, residual support = 21.5:
          QG2   THR   23 - HB3   HIS   22   3.84 +/- 0.59  80.921% * 96.1371% (0.34   3.46  21.60) =  99.647%  kept
          QG2   THR   77 - HB3   HIS   22  13.98 +/- 3.71  15.460% *  1.6151% (0.99   0.02   0.02) =   0.320%  kept
          QB    ALA   88 - HB3   HIS   22  20.28 +/- 4.62   1.151% *  1.1832% (0.73   0.02   0.02) =   0.017%
          HG2   LYS+  99 - HB3   HIS   22  22.40 +/- 4.56   1.985% *  0.4531% (0.28   0.02   0.02) =   0.012%
          HG2   LYS+  38 - HB3   HIS   22  23.06 +/- 2.32   0.483% *  0.6116% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.377, support = 3.2, residual support = 12.1:
          HN    ALA   47 - HB    THR   46   3.51 +/- 0.72  87.467% * 98.4511% (0.38   3.20  12.12) =  99.775%  kept
          QD    PHE   95 - HB    THR   46   8.04 +/- 1.50  12.533% *  1.5489% (0.95   0.02   0.02) =   0.225%  kept
    Distance limit 4.30 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 = 3.23, residual support = 34.3:
      O   HN    THR   46 - HB    THR   46   3.16 +/- 0.45  71.482% * 99.6646% (0.87  10.0   3.23  34.33) =  99.970%  kept
          HN    LYS+ 112 - HB    THR   46  13.41 +/- 3.83  14.986% *  0.0604% (0.53   1.0   0.02   0.02) =   0.013%
          HN    MET   92 - HB    THR   46   8.86 +/- 2.24   8.934% *  0.0789% (0.69   1.0   0.02   0.02) =   0.010%
          HN    LYS+  74 - HB    THR   46  10.03 +/- 1.89   4.221% *  0.1126% (0.98   1.0   0.02   0.19) =   0.007%
          HN    MET   11 - HB    THR   46  28.43 +/- 5.37   0.377% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.431, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  17.81 +/- 3.04  12.600% * 28.3087% (0.14 10.00   0.02   0.02) =  30.523%  kept
          QG2   THR   77 - HB2   HIS   22  13.50 +/- 3.67  21.737% * 12.9434% (0.64  1.00   0.02   0.02) =  24.076%  kept
          QB    ALA   88 - HB2   HIS   22  19.82 +/- 4.62   8.690% * 16.1643% (0.80  1.00   0.02   0.02) =  12.021%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.07 +/- 4.53   9.186% * 11.7377% (0.58  1.00   0.02   0.02) =   9.227%  kept
          HB3   LEU   80 - HB2   HIS   22  16.26 +/- 8.34  22.853% *  4.0306% (0.20  1.00   0.02   0.02) =   7.882%  kept
          HB2   LEU   31 - HB2   HIS   22  15.87 +/- 1.25  12.292% *  6.0667% (0.30  1.00   0.02   0.02) =   6.381%  kept
          HG2   LYS+ 111 - HB2   HIS   22  26.05 +/- 5.80   8.811% *  7.2470% (0.36  1.00   0.02   0.02) =   5.464%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.86 +/- 2.36   3.830% * 13.5016% (0.67  1.00   0.02   0.02) =   4.426%  kept
    Distance limit 4.08 A violated in 18 structures by 6.09 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 16.6:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.04  98.731% * 99.8294% (0.95  10.0   3.46  16.64) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  13.43 +/- 1.34   0.511% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  18.53 +/- 3.20   0.283% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  20.80 +/- 5.92   0.202% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  16.79 +/- 1.83   0.273% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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  11.69 +/- 6.20 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.32 A violated in 20 structures by 8.37 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.63, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22  10.76 +/- 7.18  43.332% * 18.5628% (0.57   0.02   0.02) =  42.142%  kept
          QG    GLN   32 - HA    HIS   22  15.90 +/- 1.38  13.655% * 27.4474% (0.85   0.02   0.02) =  19.636%  kept
          HB    VAL  107 - HA    HIS   22  20.13 +/- 4.10  10.866% * 26.5475% (0.82   0.02   0.02) =  15.113%  kept
          QE    LYS+ 112 - HA    HIS   22  19.77 +/- 5.80  17.383% * 13.7211% (0.42   0.02   0.02) =  12.496%  kept
          HB3   PHE   45 - HA    HIS   22  15.58 +/- 2.77  14.763% * 13.7211% (0.42   0.02   0.02) =  10.613%  kept
    Distance limit 3.43 A violated in 17 structures by 4.55 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.404, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   8.56 +/- 3.12  34.025% * 28.4146% (0.26 10.00   0.02   0.02) =  69.321%  kept
          HB    VAL   83 - HA    HIS   22  15.59 +/- 7.55  13.822% *  8.1833% (0.76  1.00   0.02   0.02) =   8.110%  kept
          QD    LYS+ 102 - HA    HIS   22  20.69 +/- 5.09   9.508% *  9.8627% (0.91  1.00   0.02   0.02) =   6.724%  kept
          HB2   LEU  123 - HA    HIS   22  25.30 +/- 5.99   6.060% *  8.1833% (0.76  1.00   0.02   0.02) =   3.556%  kept
          HB2   LYS+ 121 - HA    HIS   22  22.82 +/- 4.77   5.665% *  7.0200% (0.65  1.00   0.02   0.02) =   2.852%  kept
          QD    LYS+  65 - HA    HIS   22  16.05 +/- 2.79   4.557% *  7.4210% (0.69  1.00   0.02   0.02) =   2.425%  kept
          HG3   PRO   93 - HA    HIS   22  19.41 +/- 3.41   3.133% *  8.5362% (0.79  1.00   0.02   0.02) =   1.917%  kept
          HD2   LYS+  74 - HA    HIS   22  11.81 +/- 3.63  13.527% *  1.7898% (0.17  1.00   0.02   0.02) =   1.736%  kept
          HD2   LYS+ 111 - HA    HIS   22  24.94 +/- 4.90   3.655% *  5.3768% (0.50  1.00   0.02   0.02) =   1.409%  kept
          QD    LYS+  38 - HA    HIS   22  21.45 +/- 2.08   1.595% *  9.4340% (0.87  1.00   0.02   0.02) =   1.079%  kept
          HB3   MET   92 - HA    HIS   22  20.47 +/- 2.58   1.954% *  4.2014% (0.39  1.00   0.02   0.02) =   0.589%  kept
          QD    LYS+ 106 - HA    HIS   22  19.17 +/- 3.61   2.498% *  1.5768% (0.15  1.00   0.02   0.02) =   0.282%  kept
    Distance limit 3.59 A violated in 19 structures by 3.19 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  10.75 +/- 0.36  80.770% * 67.5049% (0.39   0.02   0.02) =  89.718%  kept
          HN    LEU   40 - HA    HIS   22  18.88 +/- 2.72  19.230% * 32.4951% (0.19   0.02   0.02) =  10.282%  kept
    Distance limit 3.73 A violated in 20 structures by 6.92 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 = 25.7:
      O   HN    VAL   24 - HA    THR   23   2.36 +/- 0.17 100.000% *100.0000% (0.64  10.0   5.38  25.73) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.25, residual support = 25.7:
          HN    VAL   24 - HB    THR   23   3.89 +/- 0.53 100.000% *100.0000% (0.49   5.25  25.73) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.731, support = 4.56, residual support = 19.5:
          HN    THR   23 - QG2   THR   23   3.03 +/- 0.57  52.303% * 63.2244% (0.73   4.88  19.14) =  86.266%  kept
          HD2   HIS   22 - QG2   THR   23   5.03 +/- 1.10  15.001% * 34.9812% (0.76   2.56  21.60) =  13.689%  kept
          HD1   TRP   49 - QB    ALA   91   7.42 +/- 2.38   9.135% *  0.0337% (0.09   0.02   0.02) =   0.008%
          HE3   TRP   27 - QG2   THR   23   8.40 +/- 1.20   3.327% *  0.0795% (0.22   0.02   1.16) =   0.007%
          HN    LEU   67 - QG2   THR   39  10.07 +/- 1.94   2.664% *  0.0788% (0.22   0.02   0.02) =   0.005%
          HD1   TRP   49 - QG2   THR   23  18.56 +/- 3.57   0.453% *  0.3202% (0.90   0.02   0.02) =   0.004%
          HN    LEU   67 - QG2   THR   23  17.15 +/- 1.57   0.359% *  0.3539% (0.99   0.02   0.02) =   0.003%
          QE    PHE   95 - QG2   THR   23  15.73 +/- 1.95   0.455% *  0.2453% (0.69   0.02   0.02) =   0.003%
          HD21  ASN   35 - QG2   THR   39   9.50 +/- 1.28   3.106% *  0.0271% (0.08   0.02   0.02) =   0.002%
          HD21  ASN   35 - QG2   THR   23  16.06 +/- 1.61   0.502% *  0.1218% (0.34   0.02   0.02) =   0.002%
          QE    PHE   95 - QB    ALA   91   9.17 +/- 0.94   2.311% *  0.0258% (0.07   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG2   THR   39   9.95 +/- 1.96   2.912% *  0.0177% (0.05   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  19.35 +/- 4.82   0.497% *  0.0993% (0.28   0.02   0.02) =   0.001%
          QE    PHE   95 - QG2   THR   39  13.82 +/- 1.63   0.898% *  0.0546% (0.15   0.02   0.02) =   0.001%
          HD2   HIS   22 - QG2   THR   39  14.14 +/- 2.98   0.796% *  0.0608% (0.17   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  14.24 +/- 2.19   0.676% *  0.0577% (0.16   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.49 +/- 2.69   0.767% *  0.0372% (0.10   0.02   0.02) =   0.001%
          HN    THR   23 - QB    ALA   91  16.84 +/- 2.79   0.573% *  0.0273% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  11.97 +/- 2.79   1.478% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.03 +/- 2.52   0.171% *  0.0713% (0.20   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  18.32 +/- 3.07   0.408% *  0.0287% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.39 +/- 2.08   0.321% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.74 +/- 2.69   0.729% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.83 +/- 2.95   0.158% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.64 +/- 0.85  97.126% * 91.4886% (0.34   1.83  10.79) =  99.925%  kept
          HG3   MET   96 - HA    VAL   83  15.24 +/- 5.40   1.771% *  2.9249% (1.00   0.02   0.02) =   0.058%
          HB3   ASP-  62 - HA    VAL   83  23.27 +/- 2.63   0.251% *  2.2353% (0.76   0.02   0.02) =   0.006%
          HG2   GLU-  36 - HA    VAL   83  28.70 +/- 7.15   0.204% *  2.7000% (0.92   0.02   0.02) =   0.006%
          HG2   GLU-  29 - HA    VAL   83  22.74 +/- 8.25   0.649% *  0.6512% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.15 A violated in 0 structures by 0.02 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   2.61 +/- 0.60  94.847% * 99.6258% (0.98 10.00   2.25  10.79) =  99.997%  kept
          HB2   ASN   28 - HA    VAL   83  19.34 +/- 8.22   1.216% *  0.0912% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    VAL   83  11.09 +/- 2.01   2.884% *  0.0283% (0.28  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    VAL   83  25.63 +/- 7.57   0.429% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  20.75 +/- 2.70   0.286% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  22.67 +/- 6.56   0.338% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 85.2:
      O   HN    VAL   83 - HA    VAL   83   2.80 +/- 0.02  97.578% * 99.7575% (0.57  10.0   4.70  85.22) =  99.997%  kept
          HN    CYS   50 - HA    VAL   83  16.52 +/- 3.66   1.060% *  0.1700% (0.97   1.0   0.02   0.02) =   0.002%
          HN    TRP   49 - HA    VAL   83  15.20 +/- 3.49   1.362% *  0.0724% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 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   2.85 +/- 0.12  97.428% * 97.0740% (0.95   2.25  10.79) =  99.983%  kept
          HN    GLN   30 - HA    VAL   83  20.25 +/- 7.68   0.782% *  0.8941% (0.98   0.02   0.02) =   0.007%
          HN    GLU-  29 - HA    VAL   83  20.37 +/- 8.07   0.805% *  0.5164% (0.57   0.02   0.02) =   0.004%
          HN    LYS+  99 - HA    VAL   83  20.67 +/- 6.24   0.653% *  0.4090% (0.45   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    VAL   83  24.81 +/- 3.99   0.193% *  0.4799% (0.53   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    VAL   83  28.13 +/- 5.31   0.139% *  0.6266% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 16.4:
          HD1   TRP   87 - HA    VAL   83   3.88 +/- 0.44  78.197% * 87.1898% (0.73   4.31  16.45) =  98.239%  kept
          HE3   TRP   87 - HA    VAL   83   7.76 +/- 0.46  10.843% * 10.8826% (0.28   1.41  16.45) =   1.700%  kept
          HN    TRP   27 - HA    VAL   83  18.06 +/- 7.70   4.191% *  0.5267% (0.95   0.02   0.02) =   0.032%
          HN    ALA   91 - HA    VAL   83  11.59 +/- 0.78   3.411% *  0.3602% (0.65   0.02   0.02) =   0.018%
          HN    THR   39 - HA    VAL   83  24.73 +/- 5.10   0.627% *  0.4255% (0.76   0.02   0.02) =   0.004%
          HN    ALA   61 - HA    VAL   83  20.56 +/- 2.42   0.622% *  0.3152% (0.57   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HA    VAL   83  21.85 +/- 7.00   1.380% *  0.1102% (0.20   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   83  26.02 +/- 7.01   0.727% *  0.1899% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.674, support = 1.65, residual support = 3.18:
          QD1   LEU   73 - HA    VAL   24   5.73 +/- 3.84  29.828% * 61.1049% (0.80   1.68   2.64) =  68.707%  kept
          QD2   LEU   80 - HA    VAL   24  10.34 +/- 7.33  23.772% * 32.0704% (0.41   1.71   4.40) =  28.739%  kept
          QD1   LEU   80 - HA    VAL   24  11.59 +/- 7.62  14.124% *  4.1004% (0.22   0.40   4.40) =   2.183%  kept
          QD2   LEU  115 - HA    VAL   24  16.69 +/- 4.64   9.724% *  0.4081% (0.45   0.02   0.02) =   0.150%  kept
          QD1   LEU  104 - HA    VAL   24  16.18 +/- 4.71  10.004% *  0.2027% (0.22   0.02   0.02) =   0.076%
          QD2   LEU   98 - HA    VAL   24  12.07 +/- 3.62   8.647% *  0.2027% (0.22   0.02   0.02) =   0.066%
          QD1   LEU   63 - HA    VAL   24  13.74 +/- 2.95   1.211% *  0.7289% (0.80   0.02   0.02) =   0.033%
          QG2   VAL   41 - HA    VAL   24  10.05 +/- 2.92   2.107% *  0.3417% (0.38   0.02   0.02) =   0.027%
          QD2   LEU   63 - HA    VAL   24  14.53 +/- 2.39   0.582% *  0.8403% (0.92   0.02   0.02) =   0.018%
    Distance limit 3.16 A violated in 1 structures by 0.31 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 64.8:
      O T HB    VAL   24 - HA    VAL   24   2.45 +/- 0.21  96.694% * 98.9275% (1.00  10.0 10.00   3.94  64.79) =  99.996%  kept
        T HB2   PRO   68 - HA    VAL   24  21.34 +/- 2.97   0.193% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLN   32 - HA    VAL   24  10.32 +/- 0.72   1.455% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    VAL   24  19.00 +/- 3.76   0.634% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    VAL   24  21.80 +/- 5.06   0.827% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  23.17 +/- 4.49   0.197% *  0.0153% (0.15   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 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 23.1:
        T HB3   TRP   27 - HA    VAL   24   3.48 +/- 0.46  83.942% * 99.7179% (1.00 10.00   3.00  23.09) =  99.984%  kept
          HB2   PHE   97 - HA    VAL   24  17.36 +/- 4.40  10.742% *  0.0991% (0.99  1.00   0.02   0.02) =   0.013%
          QE    LYS+  99 - HA    VAL   24  16.97 +/- 3.55   1.821% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    VAL   24  17.66 +/- 3.75   1.239% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    VAL   24  16.92 +/- 3.35   1.585% *  0.0448% (0.45  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  19.08 +/- 1.79   0.671% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 64.8:
      O   HN    VAL   24 - HA    VAL   24   2.72 +/- 0.06 100.000% *100.0000% (0.97  10.0   4.34  64.79) = 100.000%  kept
    Distance limit 3.55 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 = 0.869, support = 5.76, residual support = 31.0:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.03  53.250% * 84.2816% (0.92  10.0   5.64  33.65) =  86.418%  kept
          HN    ASN   28 - HA    VAL   24   3.83 +/- 0.37  45.115% * 15.6320% (0.53   1.0   6.51  14.35) =  13.580%  kept
          HN    ASP-  44 - HA    VAL   24  12.23 +/- 1.69   1.634% *  0.0864% (0.95   1.0   0.02   0.02) =   0.003%
    Distance limit 3.82 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 = 3.03, residual support = 23.1:
          HN    TRP   27 - HA    VAL   24   3.00 +/- 0.19  94.340% * 94.6549% (0.45   3.03  23.09) =  99.941%  kept
          HD1   TRP   87 - HA    VAL   24  16.33 +/- 6.51   1.647% *  1.3810% (0.99   0.02   0.02) =   0.025%
          HN    LYS+ 102 - HA    VAL   24  18.85 +/- 4.56   1.056% *  0.9571% (0.69   0.02   0.02) =   0.011%
          HN    THR   39 - HA    VAL   24  16.56 +/- 1.31   0.619% *  1.3658% (0.98   0.02   0.02) =   0.009%
          HN    GLU-  36 - HA    VAL   24  15.87 +/- 0.78   0.684% *  1.2086% (0.87   0.02   0.02) =   0.009%
          HN    ALA   61 - HA    VAL   24  16.98 +/- 3.57   1.076% *  0.1886% (0.14   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    VAL   24  19.08 +/- 3.92   0.577% *  0.2440% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.77 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 = 3.22, residual support = 64.8:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  92.861% * 98.9402% (0.98  10.0 10.00   3.22  64.79) =  99.996%  kept
        T QG1   VAL   24 - HB2   PRO   68  20.23 +/- 3.14   0.155% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB    VAL   24  16.57 +/- 3.93   1.142% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL   24  21.43 +/- 5.18   1.157% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.27 +/- 0.68   0.639% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  23.62 +/- 6.62   0.297% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.79 +/- 4.46   0.480% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.02 +/- 1.39   1.672% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.46 +/- 3.83   0.481% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.50 +/- 2.80   0.410% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.78 +/- 2.45   0.288% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.94 +/- 2.66   0.419% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.16, residual support = 64.8:
      O   QG2   VAL   24 - HB    VAL   24   2.13 +/- 0.01  95.409% * 99.6470% (1.00  10.0   3.16  64.79) =  99.998%  kept
          HG3   LYS+ 112 - HB2   PRO   68  21.60 +/- 4.53   1.390% *  0.0382% (0.38   1.0   0.02   0.02) =   0.001%
          HG    LEU   63 - HB2   PRO   68  11.27 +/- 1.71   0.870% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          HG    LEU   63 - HB    VAL   24  18.40 +/- 3.44   0.300% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  16.57 +/- 3.93   1.231% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  22.51 +/- 6.32   0.310% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  19.20 +/- 2.96   0.189% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.78 +/- 2.45   0.301% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.658, support = 1.64, residual support = 3.71:
          QD2   LEU   80 - HB    VAL   24  10.25 +/- 6.94  25.699% * 62.1374% (0.80   1.65   4.40) =  62.523%  kept
          QD1   LEU   73 - HB    VAL   24   7.00 +/- 3.80  28.711% * 32.3275% (0.41   1.68   2.64) =  36.341%  kept
          QD1   LEU  104 - HB    VAL   24  17.18 +/- 4.60  10.645% *  0.9053% (0.97   0.02   0.02) =   0.377%  kept
          QD2   LEU  115 - HB    VAL   24  17.11 +/- 5.00  10.202% *  0.7169% (0.76   0.02   0.02) =   0.286%  kept
          QG1   VAL   83 - HB    VAL   24  11.59 +/- 6.10   8.238% *  0.8137% (0.87   0.02   0.02) =   0.262%  kept
          QD1   LEU  104 - HB2   PRO   68  13.66 +/- 4.69   2.665% *  0.5355% (0.57   0.02   0.02) =   0.056%
          QD1   LEU   63 - HB2   PRO   68   9.93 +/- 1.74   5.348% *  0.2281% (0.24   0.02   0.02) =   0.048%
          QD2   LEU  115 - HB2   PRO   68  14.34 +/- 2.41   1.891% *  0.4241% (0.45   0.02   0.02) =   0.031%
          QD1   LEU   63 - HB    VAL   24  14.51 +/- 3.19   1.520% *  0.3856% (0.41   0.02   0.02) =   0.023%
          QG2   ILE   89 - HB    VAL   24  13.84 +/- 4.41   1.739% *  0.2339% (0.25   0.02   0.02) =   0.016%
          QD1   LEU   73 - HB2   PRO   68  14.35 +/- 1.97   1.542% *  0.2281% (0.24   0.02   0.02) =   0.014%
          QG1   VAL   83 - HB2   PRO   68  20.24 +/- 3.56   0.501% *  0.4813% (0.51   0.02   0.02) =   0.009%
          QD2   LEU   80 - HB2   PRO   68  19.54 +/- 3.02   0.455% *  0.4443% (0.47   0.02   0.02) =   0.008%
          QG2   ILE   89 - HB2   PRO   68  20.78 +/- 3.88   0.843% *  0.1384% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.99 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.871, support = 3.99, residual support = 63.9:
      O T HA    VAL   24 - HB    VAL   24   2.45 +/- 0.21  76.525% * 89.0301% (0.90  10.0 10.00   3.94  64.79) =  96.770%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.78 +/- 0.18  22.097% * 10.2842% (0.10  10.0  1.00   5.47  36.23) =   3.228%  kept
        T HA    VAL   24 - HB2   PRO   68  21.34 +/- 2.97   0.151% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB2   PRO   68  14.06 +/- 3.66   0.892% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.35 +/- 1.30   0.171% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  21.11 +/- 3.36   0.163% *  0.0174% (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 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.22, residual support = 64.8:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  95.236% * 98.6521% (0.92  10.0 10.00   3.22  64.79) =  99.996%  kept
        T HB2   PRO   68 - QG1   VAL   24  20.23 +/- 3.14   0.159% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLN   32 - QG1   VAL   24  10.02 +/- 0.80   0.974% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - QG1   VAL   24  17.86 +/- 4.17   1.132% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG1   VAL   24  19.74 +/- 5.00   1.284% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  18.52 +/- 5.78   0.511% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  15.69 +/- 3.58   0.440% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  19.78 +/- 4.30   0.264% *  0.0330% (0.31   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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.373, support = 5.56, residual support = 30.7:
      O   HN    ASN   69 - HB2   PRO   68   3.57 +/- 0.73  47.128% * 43.3125% (0.20  10.0   5.84  31.34) =  57.398%  kept
          HN    GLU-  25 - HB    VAL   24   3.92 +/- 0.36  36.791% * 33.1543% (0.53   1.0   5.87  33.65) =  34.300%  kept
          HN    ASN   28 - HB    VAL   24   5.63 +/- 0.40  12.776% * 23.0825% (0.92   1.0   2.33  14.35) =   8.293%  kept
          HN    ASP-  44 - HB    VAL   24  12.94 +/- 1.89   1.676% *  0.1215% (0.57   1.0   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB2   PRO   68  14.99 +/- 2.07   0.706% *  0.0719% (0.33   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   PRO   68  20.69 +/- 3.10   0.409% *  0.1172% (0.55   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  21.14 +/- 2.55   0.294% *  0.0732% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  23.75 +/- 2.93   0.220% *  0.0668% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 64.8:
      O   HN    VAL   24 - HB    VAL   24   2.51 +/- 0.31  99.771% * 99.9409% (0.38  10.0   4.68  64.79) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.13 +/- 2.92   0.229% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.08, residual support = 64.8:
          HN    VAL   24 - QG1   VAL   24   2.10 +/- 0.41 100.000% *100.0000% (0.73   4.08  64.79) = 100.000%  kept
    Distance limit 3.28 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 = 124.9:
      O   HN    GLU-  25 - HB2   GLU-  25   2.93 +/- 0.35  85.723% * 88.5945% (0.41  10.0   6.13 127.34) =  98.033%  kept
          HN    ASN   28 - HB2   GLU-  25   5.67 +/- 0.20  13.581% * 11.2123% (0.98   1.0   1.06   3.88) =   1.966%  kept
          HN    ASP-  44 - HB2   GLU-  25  17.34 +/- 1.86   0.485% *  0.0966% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.83 +/- 1.85   0.211% *  0.0966% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.426, support = 5.74, residual support = 124.0:
      O   HN    GLU-  25 - HB3   GLU-  25   2.45 +/- 0.63  88.209% * 82.1225% (0.41  10.0   5.85 127.34) =  97.325%  kept
          HN    ASN   28 - HB3   GLU-  25   5.82 +/- 0.22  11.249% * 17.6984% (0.98   1.0   1.81   3.88) =   2.675%  kept
          HN    ASP-  44 - HB3   GLU-  25  17.42 +/- 1.78   0.357% *  0.0896% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  23.37 +/- 1.99   0.185% *  0.0896% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 32.0:
          HN    THR   26 - HB3   GLU-  25   3.45 +/- 0.24  99.032% * 98.7377% (0.34   5.23  32.03) =  99.993%  kept
          HN    LEU   71 - HB3   GLU-  25  19.29 +/- 1.30   0.621% *  0.8465% (0.76   0.02   0.02) =   0.005%
          HN    GLU- 114 - HB3   GLU-  25  28.06 +/- 5.24   0.347% *  0.4157% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 2.85:
          HN    SER   85 - HA    SER   82   3.63 +/- 0.15  77.552% * 86.5720% (0.26   2.96   2.87) =  98.895%  kept
          HN    LEU   80 - HA    SER   82   7.46 +/- 0.31   9.141% *  6.2456% (0.10   0.55   0.49) =   0.841%  kept
          HN    GLN   32 - HA    GLU-  25   9.28 +/- 0.64   4.937% *  2.2573% (1.00   0.02   0.02) =   0.164%  kept
          HN    ALA   34 - HA    GLU-  25  12.12 +/- 0.61   2.196% *  0.9280% (0.41   0.02   0.02) =   0.030%
          HN    LEU   80 - HA    GLU-  25  17.01 +/- 6.51   2.874% *  0.6967% (0.31   0.02   0.02) =   0.029%
          HN    SER   85 - HA    GLU-  25  20.81 +/- 7.07   1.049% *  1.8075% (0.80   0.02   0.02) =   0.028%
          HN    GLN   32 - HA    SER   82  23.89 +/- 7.59   0.705% *  0.7312% (0.32   0.02   0.02) =   0.008%
          HN    CYS   53 - HA    GLU-  25  25.13 +/- 4.43   0.382% *  0.3483% (0.15   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    SER   82  25.58 +/- 6.54   0.421% *  0.3006% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    SER   82  20.18 +/- 4.00   0.744% *  0.1128% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 5.51, residual support = 111.4:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.03  70.347% * 71.9564% (0.41  10.0   5.85 127.34) =  87.080%  kept
          HN    ASN   28 - HA    GLU-  25   3.76 +/- 0.24  27.054% * 27.7569% (0.98   1.0   3.24   3.88) =  12.918%  kept
          HN    ASN   28 - HA    SER   82  19.74 +/- 7.98   0.770% *  0.0556% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  16.35 +/- 1.65   0.353% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  18.93 +/- 8.20   0.929% *  0.0233% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  22.14 +/- 2.29   0.148% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  17.31 +/- 2.17   0.319% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  27.18 +/- 2.93   0.080% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.346, support = 3.86, residual support = 7.87:
          HN    ALA   84 - HA    SER   82   4.22 +/- 0.14  47.347% * 52.9513% (0.20   5.31  10.19) =  63.364%  kept
          HD21  ASN   28 - HA    GLU-  25   4.71 +/- 0.19  34.392% * 41.9673% (0.61   1.36   3.88) =  36.480%  kept
          HN    LEU   63 - HA    GLU-  25  20.98 +/- 4.02   1.751% *  1.0053% (0.99   0.02   0.02) =   0.044%
          HD21  ASN   28 - HA    SER   82  17.80 +/- 8.35   4.696% *  0.1993% (0.20   0.02   0.02) =   0.024%
          HE21  GLN   32 - HA    GLU-  25  11.53 +/- 2.18   3.528% *  0.2258% (0.22   0.02   0.02) =   0.020%
          HN    ALA   84 - HA    GLU-  25  19.15 +/- 6.74   1.292% *  0.6152% (0.61   0.02   0.02) =   0.020%
          HZ2   TRP   87 - HA    GLU-  25  18.90 +/- 7.55   1.389% *  0.4170% (0.41   0.02   0.02) =   0.015%
          HZ2   TRP   87 - HA    SER   82  10.48 +/- 0.81   3.401% *  0.1351% (0.13   0.02   0.02) =   0.012%
          HN    ILE   56 - HA    GLU-  25  25.30 +/- 4.80   0.358% *  0.9595% (0.95   0.02   0.02) =   0.009%
          HN    LYS+ 111 - HA    GLU-  25  27.07 +/- 4.29   0.284% *  0.6152% (0.61   0.02   0.02) =   0.004%
          HN    ILE   56 - HA    SER   82  23.54 +/- 3.88   0.437% *  0.3108% (0.31   0.02   0.02) =   0.003%
          HN    LEU   63 - HA    SER   82  23.57 +/- 2.42   0.303% *  0.3257% (0.32   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HA    SER   82  24.46 +/- 2.75   0.286% *  0.1993% (0.20   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    SER   82  27.12 +/- 8.70   0.538% *  0.0732% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 0.972, support = 1.14, residual support = 3.79:
          HB2   ASN   28 - HA    GLU-  25   3.39 +/- 0.53  72.380% * 80.0262% (0.99   1.15   3.88) =  97.488%  kept
          HB2   ASP-  86 - HA    SER   82   6.63 +/- 0.58  11.148% * 12.4748% (0.24   0.75   0.02) =   2.341%  kept
          QE    LYS+  33 - HA    GLU-  25  11.36 +/- 1.49   2.802% *  1.4034% (1.00   0.02   0.02) =   0.066%
          HB2   ASP-  86 - HA    GLU-  25  20.40 +/- 7.76   1.296% *  1.0214% (0.73   0.02   0.02) =   0.022%
          HB2   ASP-  78 - HA    GLU-  25  19.07 +/- 5.29   1.105% *  0.8531% (0.61   0.02   0.02) =   0.016%
          QE    LYS+  65 - HA    GLU-  25  20.18 +/- 3.70   0.675% *  1.2984% (0.92   0.02   0.02) =   0.015%
          HB2   ASP-  78 - HA    SER   82  10.74 +/- 1.57   2.926% *  0.2764% (0.20   0.02   0.02) =   0.014%
          HB2   ASN   28 - HA    SER   82  20.95 +/- 8.22   1.750% *  0.4516% (0.32   0.02   0.02) =   0.013%
          HB2   ASN   35 - HA    GLU-  25  16.06 +/- 0.92   0.824% *  0.5279% (0.38   0.02   0.02) =   0.007%
          HB2   ASP-  76 - HA    GLU-  25  15.96 +/- 4.38   1.469% *  0.2784% (0.20   0.02   0.02) =   0.007%
          QE    LYS+  33 - HA    SER   82  24.82 +/- 6.02   0.453% *  0.4546% (0.32   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HA    SER   82  11.81 +/- 0.86   2.026% *  0.0902% (0.06   0.02   0.02) =   0.003%
          QE    LYS+  65 - HA    SER   82  22.20 +/- 2.66   0.310% *  0.4206% (0.30   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    SER   82  28.49 +/- 7.09   0.373% *  0.1710% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    GLU-  25  22.92 +/- 2.24   0.301% *  0.1904% (0.14   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  29.14 +/- 3.24   0.162% *  0.0617% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.319, support = 2.76, residual support = 10.1:
          QB    ALA   84 - HA    SER   82   4.43 +/- 0.14  46.034% * 78.9756% (0.32   2.79  10.19) =  99.135%  kept
          HB3   LEU   80 - HA    SER   82   5.98 +/- 0.88  21.585% *  0.2785% (0.16   0.02   0.49) =   0.164%  kept
          HG    LEU   98 - HA    GLU-  25  17.42 +/- 4.18   2.142% *  1.6708% (0.95   0.02   0.02) =   0.098%
          HB2   LEU   31 - HA    GLU-  25   9.32 +/- 0.56   5.135% *  0.6025% (0.34   0.02   0.02) =   0.084%
          QB    ALA   84 - HA    GLU-  25  16.81 +/- 4.90   1.665% *  1.7506% (0.99   0.02   0.02) =   0.079%
          HB3   LEU   80 - HA    GLU-  25  17.76 +/- 7.40   2.527% *  0.8597% (0.49   0.02   0.02) =   0.059%
          HB2   LEU   63 - HA    GLU-  25  20.24 +/- 3.90   2.018% *  1.0713% (0.61   0.02   0.02) =   0.059%
          HB3   LEU   73 - HA    GLU-  25  12.40 +/- 3.13   2.819% *  0.7261% (0.41   0.02   0.02) =   0.056%
          QB    ALA  124 - HA    GLU-  25  26.07 +/- 5.77   0.846% *  1.5321% (0.87   0.02   0.02) =   0.035%
          HG3   LYS+  33 - HA    GLU-  25  12.17 +/- 1.09   2.446% *  0.4911% (0.28   0.02   0.02) =   0.033%
          HB3   ASP-  44 - HA    GLU-  25  18.27 +/- 1.94   0.745% *  1.2825% (0.73   0.02   0.02) =   0.026%
          HB3   PRO   93 - HA    GLU-  25  22.33 +/- 3.15   0.533% *  1.7623% (1.00   0.02   0.02) =   0.026%
          HG3   LYS+ 106 - HA    GLU-  25  21.76 +/- 3.36   0.559% *  1.1426% (0.65   0.02   0.02) =   0.017%
          HB    VAL   42 - HA    GLU-  25  17.76 +/- 2.31   1.044% *  0.6025% (0.34   0.02   0.02) =   0.017%
          HG3   LYS+ 102 - HA    GLU-  25  21.87 +/- 5.33   0.719% *  0.7918% (0.45   0.02   0.02) =   0.016%
          HG    LEU   98 - HA    SER   82  21.52 +/- 5.69   0.979% *  0.5412% (0.31   0.02   0.02) =   0.014%
          HG3   LYS+  65 - HA    GLU-  25  21.36 +/- 3.79   0.716% *  0.6025% (0.34   0.02   0.02) =   0.012%
          HB3   PRO   93 - HA    SER   82  18.87 +/- 1.42   0.653% *  0.5709% (0.32   0.02   0.02) =   0.010%
          HB2   LYS+ 112 - HA    GLU-  25  26.98 +/- 5.61   0.382% *  0.9292% (0.53   0.02   0.02) =   0.010%
          HB3   ASP-  44 - HA    SER   82  18.29 +/- 2.09   0.764% *  0.4155% (0.24   0.02   0.02) =   0.009%
          HG3   LYS+ 106 - HA    SER   82  21.74 +/- 4.87   0.657% *  0.3701% (0.21   0.02   0.02) =   0.007%
          HB2   LEU   31 - HA    SER   82  22.10 +/- 7.53   1.108% *  0.1952% (0.11   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    SER   82  18.63 +/- 2.62   0.773% *  0.2352% (0.13   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HA    SER   82  25.60 +/- 7.35   0.573% *  0.2565% (0.15   0.02   0.02) =   0.004%
          HB2   LEU   63 - HA    SER   82  22.89 +/- 3.17   0.417% *  0.3470% (0.20   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HA    GLU-  25  28.28 +/- 4.70   0.269% *  0.4911% (0.28   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HA    SER   82  25.78 +/- 3.31   0.298% *  0.3010% (0.17   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    SER   82  31.06 +/- 3.50   0.178% *  0.4963% (0.28   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    SER   82  22.52 +/- 2.99   0.432% *  0.1952% (0.11   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  26.69 +/- 6.63   0.396% *  0.1591% (0.09   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    SER   82  24.23 +/- 2.47   0.311% *  0.1952% (0.11   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  26.39 +/- 3.17   0.278% *  0.1591% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.596, support = 0.02, residual support = 0.02:
          HB2   LEU  104 - HA    GLU-  25  21.43 +/- 5.05  13.003% * 19.8967% (0.80   0.02   0.02) =  25.012%  kept
          QG2   VAL  108 - HA    GLU-  25  20.36 +/- 2.64   9.982% * 22.9376% (0.92   0.02   0.02) =  22.136%  kept
          QG2   VAL  108 - HA    SER   82  16.92 +/- 2.95  19.923% *  7.4304% (0.30   0.02   0.02) =  14.312%  kept
          QD1   ILE  119 - HA    GLU-  25  20.64 +/- 4.96  11.657% * 12.0948% (0.49   0.02   0.02) =  13.631%  kept
          HG3   LYS+ 112 - HA    GLU-  25  26.48 +/- 6.04   5.551% * 15.0711% (0.61   0.02   0.02) =   8.088%  kept
          HG    LEU   63 - HA    GLU-  25  20.95 +/- 4.09   9.037% *  5.5320% (0.22   0.02   0.02) =   4.833%  kept
          HB2   LEU  104 - HA    SER   82  25.56 +/- 4.66   6.017% *  6.4453% (0.26   0.02   0.02) =   3.749%  kept
          QD1   ILE  119 - HA    SER   82  22.69 +/- 3.16   9.778% *  3.9180% (0.16   0.02   0.02) =   3.704%  kept
          HG3   LYS+ 112 - HA    SER   82  25.28 +/- 4.20   6.448% *  4.8821% (0.20   0.02   0.02) =   3.043%  kept
          HG    LEU   63 - HA    SER   82  23.51 +/- 3.65   8.607% *  1.7920% (0.07   0.02   0.02) =   1.491%  kept
    Distance limit 4.06 A violated in 19 structures by 8.59 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.285, support = 3.26, residual support = 23.6:
          HB2   GLU-  25 - HA    THR   26   4.16 +/- 0.27  31.009% * 78.9129% (0.31   4.07  32.03) =  72.990%  kept
          HB2   GLU-  29 - HA    THR   26   3.10 +/- 0.87  58.863% * 15.2680% (0.22   1.09   0.68) =  26.807%  kept
          QG    GLN   17 - HA    THR   26  12.86 +/- 3.23   6.792% *  0.5164% (0.41   0.02   0.02) =   0.105%  kept
          HG2   GLU- 100 - HA    THR   26  18.64 +/- 3.90   1.103% *  1.1881% (0.95   0.02   0.02) =   0.039%
          HB2   MET   96 - HA    THR   26  17.42 +/- 2.75   0.524% *  1.1264% (0.90   0.02   0.02) =   0.018%
          HB2   ASP- 105 - HA    THR   26  23.04 +/- 4.23   0.628% *  0.8628% (0.69   0.02   0.02) =   0.016%
          HB3   ASP-  76 - HA    THR   26  17.03 +/- 4.29   0.436% *  1.1264% (0.90   0.02   0.02) =   0.015%
          HB    VAL   70 - HA    THR   26  16.71 +/- 1.71   0.515% *  0.6114% (0.49   0.02   0.02) =   0.009%
          HG3   MET   92 - HA    THR   26  26.40 +/- 2.62   0.129% *  0.3877% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.94, residual support = 34.8:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.03  99.097% * 99.6670% (0.34  10.0   4.94  34.85) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.50 +/- 1.44   0.701% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  26.80 +/- 4.62   0.202% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.566, support = 1.26, residual support = 3.74:
          HN    GLN   30 - HA    THR   26   4.45 +/- 0.55  29.219% * 81.3081% (0.69   1.45   4.85) =  73.461%  kept
          HN    GLU-  29 - HA    THR   26   3.31 +/- 0.18  63.842% * 13.2761% (0.22   0.73   0.68) =  26.209%  kept
          HN    GLU-  14 - HA    THR   26  13.70 +/- 5.01   5.616% *  1.5995% (0.98   0.02   0.02) =   0.278%  kept
          HN    LYS+  99 - HA    THR   26  18.67 +/- 3.51   0.639% *  1.3630% (0.84   0.02   0.02) =   0.027%
          HE1   HIS  122 - HA    THR   26  22.26 +/- 4.12   0.326% *  1.4635% (0.90   0.02   0.02) =   0.015%
          HN    ASP-  86 - HA    THR   26  22.94 +/- 7.25   0.358% *  0.9898% (0.61   0.02   0.02) =   0.011%
    Distance limit 3.90 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 = 0.46, support = 1.89, residual support = 11.1:
          HN    THR   23 - HB    THR   26   3.82 +/- 0.41  69.425% * 67.8514% (0.38   2.14  12.92) =  86.212%  kept
          HD2   HIS   22 - HB    THR   26   6.01 +/- 1.44  27.302% * 27.4559% (0.99   0.33   0.02) =  13.719%  kept
          HD21  ASN   35 - HB    THR   26  15.70 +/- 1.47   1.182% *  1.1581% (0.69   0.02   0.02) =   0.025%
          HD1   TRP   49 - HB    THR   26  23.12 +/- 4.07   0.633% *  1.6710% (0.99   0.02   0.02) =   0.019%
          HN    LEU   67 - HB    THR   26  18.32 +/- 1.43   0.756% *  1.2885% (0.76   0.02   0.02) =   0.018%
          QE    PHE   95 - HB    THR   26  18.02 +/- 2.16   0.702% *  0.5751% (0.34   0.02   0.02) =   0.007%
    Distance limit 3.80 A violated in 0 structures by 0.12 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   3.03 +/- 0.13  93.896% * 98.0876% (0.84   4.46  22.70) =  99.984%  kept
          HN    THR   39 - HB    THR   26  15.95 +/- 1.85   0.760% *  0.4721% (0.90   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB    THR   26  20.36 +/- 6.40   0.603% *  0.4567% (0.87   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB    THR   26  20.57 +/- 4.26   1.382% *  0.1625% (0.31   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB    THR   26  14.90 +/- 1.23   0.856% *  0.2563% (0.49   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  17.98 +/- 3.46   0.925% *  0.2164% (0.41   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB    THR   26  21.72 +/- 6.54   1.305% *  0.0922% (0.18   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  22.93 +/- 3.67   0.273% *  0.2563% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.90 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   2.15 +/- 0.12  99.698% * 99.9615% (0.80  10.0   4.16  34.85) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.29 +/- 1.37   0.302% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.553, support = 0.57, residual support = 1.16:
          HA    ALA   20 - QG2   THR   26   5.75 +/- 1.11  27.268% * 71.8846% (0.87   0.42   0.12) =  54.627%  kept
          HA    CYS   21 - QG2   THR   26   3.57 +/- 1.69  62.920% * 25.7524% (0.18   0.75   2.42) =  45.157%  kept
          HA    LEU   71 - QG2   THR   26  10.66 +/- 1.80   8.254% *  0.6050% (0.15   0.02   0.02) =   0.139%  kept
          HA    LYS+ 102 - QG2   THR   26  16.64 +/- 3.23   1.557% *  1.7580% (0.45   0.02   0.02) =   0.076%
    Distance limit 3.55 A violated in 4 structures by 0.53 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.855, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26   9.94 +/- 3.37  33.827% * 18.7520% (0.92   0.02   0.02) =  42.011%  kept
          HG2   MET   11 - QG2   THR   26  13.18 +/- 5.30  21.790% * 19.2160% (0.95   0.02   0.02) =  27.732%  kept
          HG2   PRO   58 - QG2   THR   26  18.77 +/- 4.03  11.061% * 17.6208% (0.87   0.02   0.02) =  12.909%  kept
          HB2   PRO   93 - QG2   THR   26  17.58 +/- 1.86   7.917% * 12.3210% (0.61   0.02   0.02) =   6.461%  kept
          HG3   PRO   52 - QG2   THR   26  22.20 +/- 3.79   3.811% * 17.6208% (0.87   0.02   0.02) =   4.448%  kept
          HB2   ARG+  54 - QG2   THR   26  20.57 +/- 4.26   6.313% *  6.2698% (0.31   0.02   0.02) =   2.621%  kept
          HB2   PRO   68 - QG2   THR   26  16.21 +/- 1.66  10.232% *  3.1343% (0.15   0.02   0.02) =   2.124%  kept
          HB    VAL  108 - QG2   THR   26  20.47 +/- 2.16   5.049% *  5.0653% (0.25   0.02   0.02) =   1.694%  kept
    Distance limit 3.54 A violated in 16 structures by 4.62 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 = 4.83:
        T HG2   GLN   30 - QG2   THR   26   2.91 +/- 0.70  85.506% * 96.7916% (0.99 10.00   0.75   4.85) =  99.703%  kept
          HB3   ASN   28 - QG2   THR   26   7.23 +/- 0.27   8.071% *  2.9781% (0.97  1.00   0.24   0.42) =   0.290%  kept
          HB3   HIS  122 - QG2   THR   26  17.86 +/- 4.24   4.487% *  0.0724% (0.28  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 121 - QG2   THR   26  17.45 +/- 4.64   1.936% *  0.1579% (0.61  1.00   0.02   0.02) =   0.004%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.931, support = 3.76, residual support = 20.1:
          QD1   LEU   73 - HB3   TRP   27   3.85 +/- 3.72  42.248% * 55.7399% (1.00   4.01  26.23) =  68.148%  kept
          QD2   LEU   80 - HB3   TRP   27  10.63 +/- 7.26  27.494% * 37.6381% (0.80   3.38   7.34) =  29.946%  kept
          QD1   LEU  104 - HB3   TRP   27  14.35 +/- 4.13  11.847% *  5.0495% (0.57   0.64   0.02) =   1.731%  kept
          QG1   VAL   83 - HB3   TRP   27  12.25 +/- 6.31   2.472% *  0.9055% (0.18   0.37   0.02) =   0.065%
          QD2   LEU  115 - HB3   TRP   27  15.27 +/- 3.93   9.533% *  0.2320% (0.84   0.02   0.02) =   0.064%
          QD1   LEU   63 - HB3   TRP   27  11.76 +/- 2.70   4.916% *  0.2778% (1.00   0.02   0.02) =   0.040%
          QD2   LEU   63 - HB3   TRP   27  12.42 +/- 2.09   1.490% *  0.1573% (0.57   0.02   0.02) =   0.007%
    Distance limit 3.64 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 23.1:
        T HA    VAL   24 - HB3   TRP   27   3.48 +/- 0.46  93.494% * 98.5200% (0.76 10.00   3.00  23.09) =  99.972%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.79 +/- 1.60   1.650% *  1.2636% (0.98 10.00   0.02   0.02) =   0.023%
        T HA    GLU- 100 - HB3   TRP   27  15.63 +/- 3.29   2.061% *  0.1989% (0.15 10.00   0.02   0.02) =   0.004%
          HA    VAL   83 - HB3   TRP   27  16.57 +/- 7.50   2.795% *  0.0174% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 23.1:
          HA    VAL   24 - HB2   TRP   27   2.10 +/- 0.24  98.875% * 99.1878% (0.97   3.00  23.09) =  99.997%  kept
          HA    LYS+  38 - HB2   TRP   27  15.76 +/- 1.27   0.274% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HA    ALA   61 - HB2   TRP   27  14.61 +/- 2.91   0.580% *  0.0927% (0.14   0.02   0.02) =   0.001%
          HD2   PRO   68 - HB2   TRP   27  18.10 +/- 2.82   0.271% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.926, support = 3.66, residual support = 17.7:
          QD1   LEU   73 - HB2   TRP   27   4.76 +/- 3.92  37.389% * 46.6111% (0.90   4.04  26.23) =  56.016%  kept
          QD2   LEU   80 - HB2   TRP   27  10.66 +/- 7.26  29.418% * 42.8727% (0.98   3.40   7.34) =  40.539%  kept
          QD1   LEU  104 - HB2   TRP   27  15.16 +/- 4.38  11.400% *  8.1521% (0.84   0.76   0.02) =   2.987%  kept
          QG1   VAL   83 - HB2   TRP   27  12.23 +/- 6.47   5.859% *  1.7986% (0.38   0.37   0.02) =   0.339%  kept
          QD2   LEU  115 - HB2   TRP   27  16.16 +/- 4.29   9.856% *  0.2551% (0.99   0.02   0.02) =   0.081%
          QD1   LEU   63 - HB2   TRP   27  12.82 +/- 2.99   4.707% *  0.2309% (0.90   0.02   0.02) =   0.035%
          QD2   LEU   63 - HB2   TRP   27  13.53 +/- 2.36   1.370% *  0.0794% (0.31   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.15, residual support = 19.2:
          QD1   LEU   31 - HA    ASN   28   2.87 +/- 0.71 100.000% *100.0000% (0.76   3.15  19.16) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.19, residual support = 92.1:
      O T HA    GLU-  29 - HG3   GLU-  29   3.61 +/- 0.29  80.804% * 97.0747% (0.22  10.0 10.00   5.19  92.19) =  99.859%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.01 +/- 0.97   5.779% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.109%  kept
          HB2   SER   37 - HG3   GLU-  29  14.22 +/- 2.00   1.783% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.010%
          HA1   GLY   16 - HG3   GLU-  29  16.97 +/- 3.91   2.284% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.009%
          HA    VAL   18 - HG3   GLU-  29  13.74 +/- 3.40   6.699% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.007%
          HA    VAL   70 - HG3   GLU-  29  17.74 +/- 1.67   0.821% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN  116 - HG3   GLU-  29  26.46 +/- 5.40   0.662% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HG3   GLU-  29  22.75 +/- 9.25   1.167% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 107.2:
      O   HD1   TRP   27 - HB2   TRP   27   2.75 +/- 0.17  83.748% * 99.7286% (0.98  10.0   3.65 107.19) =  99.982%  kept
          HE21  GLN   30 - HB2   TRP   27   7.53 +/- 1.88   9.953% *  0.0939% (0.92   1.0   0.02   0.02) =   0.011%
          QD    PHE   59 - HB2   TRP   27  16.46 +/- 3.71   3.180% *  0.0997% (0.98   1.0   0.02   0.02) =   0.004%
          HH2   TRP   49 - HB2   TRP   27  22.11 +/- 5.35   3.119% *  0.0778% (0.76   1.0   0.02   0.02) =   0.003%
    Distance limit 3.94 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 = 5.39, residual support = 107.2:
      O   HN    TRP   27 - HB2   TRP   27   2.12 +/- 0.11  97.221% * 99.5184% (0.76  10.0   5.39 107.19) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  16.69 +/- 6.57   0.635% *  0.1202% (0.92   1.0   0.02   2.33) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.75 +/- 1.36   0.316% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.18 +/- 0.76   0.347% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  16.20 +/- 3.40   0.406% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.85 +/- 3.96   0.317% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  17.97 +/- 6.52   0.574% *  0.0176% (0.14   1.0   0.02   2.33) =   0.000%
          HN    ALA   91 - HB2   TRP   27  19.55 +/- 3.82   0.183% *  0.0535% (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 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.91, support = 5.53, residual support = 49.8:
          HN    ASN   28 - HB2   TRP   27   3.09 +/- 0.37  76.857% * 93.7000% (0.92   5.59  50.66) =  98.338%  kept
          HN    GLU-  25 - HB2   TRP   27   4.87 +/- 0.33  20.424% *  5.9456% (0.15   2.12   0.53) =   1.658%  kept
          HN    ASN   69 - HB2   TRP   27  17.84 +/- 2.15   0.549% *  0.2908% (0.80   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   TRP   27  11.44 +/- 1.57   2.169% *  0.0636% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.62 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 = 0.769, support = 4.45, residual support = 104.7:
      O   HE3   TRP   27 - HB3   TRP   27   2.58 +/- 0.17  81.642% * 86.6289% (0.76  10.0   4.50 107.19) =  97.654%  kept
          HN    THR   23 - HB3   TRP   27   5.33 +/- 0.89  13.025% * 13.0223% (0.98   1.0   2.34   1.16) =   2.342%  kept
          QE    PHE   95 - HB3   TRP   27  14.46 +/- 2.35   1.034% *  0.1124% (0.99   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB3   TRP   27   8.33 +/- 1.22   3.086% *  0.0252% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  15.29 +/- 2.25   0.510% *  0.0779% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  20.53 +/- 3.70   0.269% *  0.0947% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.10 +/- 3.84   0.435% *  0.0387% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 107.1:
      O   HD1   TRP   27 - HB3   TRP   27   3.81 +/- 0.08  58.438% * 99.7286% (0.98  10.0   4.08 107.19) =  99.934%  kept
          HE21  GLN   30 - HB3   TRP   27   6.59 +/- 2.04  26.353% *  0.0939% (0.92   1.0   0.02   0.02) =   0.042%
          QD    PHE   59 - HB3   TRP   27  15.39 +/- 3.36   7.762% *  0.0997% (0.98   1.0   0.02   0.02) =   0.013%
          HH2   TRP   49 - HB3   TRP   27  21.65 +/- 5.32   7.446% *  0.0778% (0.76   1.0   0.02   0.02) =   0.010%
    Distance limit 4.07 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 = 107.2:
      O   HN    TRP   27 - HB3   TRP   27   3.08 +/- 0.29  91.397% * 99.5184% (0.76  10.0   5.64 107.19) =  99.993%  kept
          HN    THR   39 - HB3   TRP   27  13.66 +/- 1.58   1.407% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB3   TRP   27  16.59 +/- 6.46   1.198% *  0.1202% (0.92   1.0   0.02   2.33) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  13.53 +/- 0.96   1.291% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   TRP   27  15.07 +/- 2.98   1.666% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   TRP   27  17.17 +/- 3.63   1.170% *  0.0489% (0.38   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  19.21 +/- 3.92   0.493% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  17.82 +/- 6.30   1.378% *  0.0176% (0.14   1.0   0.02   2.33) =   0.000%
    Distance limit 3.39 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 = 6.06, residual support = 50.7:
          HN    ASN   28 - HB3   TRP   27   4.13 +/- 0.12  98.077% * 99.4973% (0.65   6.07  50.66) =  99.990%  kept
          HN    ASN   69 - HB3   TRP   27  16.40 +/- 2.14   1.923% *  0.5027% (0.99   0.02   0.02) =   0.010%
    Distance limit 3.86 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 4.28, residual support = 19.2:
          HN    LEU   31 - HA    ASN   28   3.41 +/- 0.17  94.560% * 95.8931% (0.22   4.28  19.16) =  99.941%  kept
          HN    LYS+  38 - HA    ASN   28  12.94 +/- 0.54   1.777% *  1.9734% (0.98   0.02   0.02) =   0.039%
          HN    ASP-  62 - HA    ASN   28  19.54 +/- 4.01   1.301% *  0.5598% (0.28   0.02   0.02) =   0.008%
          HN    SER   37 - HA    ASN   28  12.43 +/- 0.54   2.013% *  0.3526% (0.18   0.02   0.02) =   0.008%
          HN    ARG+  54 - HA    ASN   28  24.51 +/- 3.75   0.348% *  1.2211% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.15 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 = 0.196, support = 6.51, residual support = 16.7:
          HN    GLN   30 - HA    ASN   28   3.91 +/- 0.18  78.638% * 74.6291% (0.18   6.76  17.39) =  95.991%  kept
          HN    GLU-  14 - HA    ASN   28  16.09 +/- 5.41  10.420% * 22.8320% (0.73   0.50   0.02) =   3.891%  kept
          HN    LYS+  99 - HA    ASN   28  14.90 +/- 3.77   2.794% *  1.1642% (0.92   0.02   0.02) =   0.053%
          HE1   HIS  122 - HA    ASN   28  20.46 +/- 5.31   1.997% *  1.0939% (0.87   0.02   0.02) =   0.036%
          HN    ASN   35 - HA    ASN   28   9.33 +/- 0.55   6.151% *  0.2808% (0.22   0.02   0.02) =   0.028%
    Distance limit 4.08 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 = 6.97, residual support = 105.7:
      O   HN    ASN   28 - HB2   ASN   28   2.47 +/- 0.18  98.575% * 99.7686% (0.65  10.0   6.97 105.69) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   28  20.45 +/- 2.42   0.200% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.76 +/- 3.18   0.500% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.28 +/- 1.08   0.724% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.12, residual support = 105.7:
      O   HD22  ASN   28 - HB3   ASN   28   3.33 +/- 0.10  98.078% * 99.9746% (0.98  10.0   4.12 105.69) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.11 +/- 2.00   1.922% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.867, support = 3.5, residual support = 105.7:
      O   HD21  ASN   28 - HB3   ASN   28   4.03 +/- 0.05  88.408% * 99.7595% (0.87  10.0   3.50 105.69) =  99.990%  kept
          HZ2   TRP   87 - HB3   ASN   28  18.33 +/- 8.32   4.213% *  0.1127% (0.98   1.0   0.02   0.02) =   0.005%
          QE    PHE   60 - HB3   ASN   28  16.77 +/- 3.30   3.298% *  0.0790% (0.69   1.0   0.02   0.02) =   0.003%
          HN    LEU   63 - HB3   ASN   28  20.58 +/- 4.11   3.635% *  0.0287% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - HB3   ASN   28  25.91 +/- 3.87   0.446% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.621, support = 5.15, residual support = 25.9:
          HN    GLU-  29 - HB3   ASN   28   3.48 +/- 0.16  58.877% * 34.0023% (0.45   5.78  32.63) =  62.105%  kept
          HN    GLN   30 - HB3   ASN   28   5.12 +/- 0.17  18.462% * 56.6175% (0.92   4.67  17.39) =  32.427%  kept
          HN    GLU-  14 - HB3   ASN   28  16.74 +/- 6.67  19.898% *  8.8340% (0.80   0.84   0.02) =   5.453%  kept
          HN    ASP-  86 - HB3   ASN   28  21.09 +/- 8.21   0.941% *  0.2277% (0.87   0.02   0.02) =   0.007%
          HN    LYS+  99 - HB3   ASN   28  16.62 +/- 4.28   1.359% *  0.1486% (0.57   0.02   0.02) =   0.006%
          HE1   HIS  122 - HB3   ASN   28  22.73 +/- 5.45   0.462% *  0.1698% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.95 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 = 6.56, residual support = 105.7:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  87.128% * 99.8777% (0.92  10.0   6.56 105.69) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   7.09 +/- 0.39  11.180% *  0.0167% (0.15   1.0   0.02   3.88) =   0.002%
          HN    ASN   69 - HB3   ASN   28  20.43 +/- 2.67   0.595% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.93 +/- 2.00   1.098% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.414, support = 4.2, residual support = 16.2:
          HN    GLN   30 - HB2   ASN   28   4.64 +/- 0.17  58.886% * 81.1894% (0.38   4.49  17.39) =  93.053%  kept
          HN    GLU-  14 - HB2   ASN   28  16.12 +/- 6.32  22.571% * 15.5047% (0.95   0.34   0.02) =   6.811%  kept
          HN    LYS+  99 - HB2   ASN   28  17.23 +/- 4.15   3.041% *  0.9611% (1.00   0.02   0.02) =   0.057%
          HN    LYS+  99 - HB2   ASN   35  13.20 +/- 3.46   4.663% *  0.2990% (0.31   0.02   0.02) =   0.027%
          HE1   HIS  122 - HB2   ASN   28  22.74 +/- 5.18   0.812% *  0.9611% (1.00   0.02   0.02) =   0.015%
          HN    GLN   30 - HB2   ASN   35  10.47 +/- 1.00   5.387% *  0.1125% (0.12   0.02   0.02) =   0.012%
          HN    ASP-  86 - HB2   ASN   28  21.10 +/- 7.77   1.653% *  0.2973% (0.31   0.02   0.02) =   0.010%
          HN    GLU-  14 - HB2   ASN   35  17.21 +/- 4.50   1.497% *  0.2835% (0.29   0.02   0.02) =   0.008%
          HE1   HIS  122 - HB2   ASN   35  21.03 +/- 5.61   0.936% *  0.2990% (0.31   0.02   0.02) =   0.005%
          HN    ASP-  86 - HB2   ASN   35  27.43 +/- 7.36   0.554% *  0.0925% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 2 structures by 1.14 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.87, residual support = 105.7:
      O   HD21  ASN   28 - HB2   ASN   28   3.96 +/- 0.07  88.681% * 99.5979% (0.61  10.0   3.87 105.69) =  99.988%  kept
          QE    PHE   60 - HB2   ASN   28  16.38 +/- 3.28   3.173% *  0.1516% (0.92   1.0   0.02   0.02) =   0.005%
          HZ2   TRP   87 - HB2   ASN   28  18.45 +/- 8.01   3.166% *  0.1315% (0.80   1.0   0.02   0.02) =   0.005%
          HZ2   TRP   87 - HB2   ASN   35  22.73 +/- 8.13   1.843% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  14.39 +/- 1.19   1.999% *  0.0310% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  19.80 +/- 3.56   1.137% *  0.0472% (0.29   1.0   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.488, support = 6.36, residual support = 26.3:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.02  60.957% * 94.7904% (0.49  10.0   6.42  26.57) =  99.083%  kept
          HN    GLU-  14 - HA    GLU-  29  14.42 +/- 5.74  14.318% *  2.8603% (0.99   1.0   0.30   0.02) =   0.702%  kept
          HN    GLN   30 - HA    LYS+  33   7.22 +/- 0.46   7.145% *  0.9749% (0.13   1.0   0.75   0.52) =   0.119%  kept
          HN    GLN   30 - HA    GLN   32   6.79 +/- 0.18   8.410% *  0.5875% (0.11   1.0   0.55   1.66) =   0.085%
          HN    LYS+  99 - HA    GLU-  29  16.68 +/- 3.30   0.781% *  0.1879% (0.96   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    GLU-  29  22.33 +/- 4.98   0.485% *  0.1930% (0.99   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  33  13.73 +/- 4.22   1.582% *  0.0529% (0.27   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLN   32  16.16 +/- 4.83   1.773% *  0.0432% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   32  13.84 +/- 3.51   1.602% *  0.0421% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  15.13 +/- 2.53   0.969% *  0.0515% (0.26   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  24.10 +/- 7.67   0.421% *  0.0801% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  21.15 +/- 5.44   0.520% *  0.0432% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.87 +/- 4.80   0.420% *  0.0529% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  24.78 +/- 7.71   0.394% *  0.0179% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  27.47 +/- 7.06   0.223% *  0.0220% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 5.68, residual support = 76.6:
      O   HN    GLU-  29 - HB2   GLU-  29   2.53 +/- 0.40  66.214% * 57.5108% (0.41  10.0   5.42  92.19) =  76.251%  kept
          HN    GLN   30 - HB2   GLU-  29   3.47 +/- 0.43  28.746% * 41.0922% (0.90   1.0   6.55  26.57) =  23.653%  kept
          HN    GLU-  14 - HB2   GLU-  29  13.75 +/- 5.30   4.307% *  1.0992% (0.84   1.0   0.19   0.02) =   0.095%
          HN    LYS+  99 - HB2   GLU-  29  17.72 +/- 3.06   0.392% *  0.0848% (0.61   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLU-  29  22.39 +/- 4.53   0.211% *  0.0961% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  24.30 +/- 7.66   0.130% *  0.1168% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.54, support = 4.99, residual support = 74.6:
      O   HN    GLU-  29 - HB3   GLU-  29   3.33 +/- 0.47  49.762% * 62.5725% (0.41  10.0   4.93  92.19) =  73.363%  kept
          HN    GLN   30 - HB3   GLU-  29   3.91 +/- 0.31  31.402% * 35.5408% (0.90   1.0   5.21  26.57) =  26.296%  kept
          HN    GLU-  14 - HB3   GLU-  29  13.25 +/- 5.42  10.370% *  1.3613% (0.84   1.0   0.21   0.02) =   0.333%  kept
          HN    GLN   30 - QB    GLU-  36   9.24 +/- 0.75   2.759% *  0.0423% (0.28   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - QB    GLU-  36  13.18 +/- 3.94   1.433% *  0.0394% (0.26   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  29  17.83 +/- 3.07   0.418% *  0.0923% (0.61   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  10.53 +/- 0.94   1.872% *  0.0194% (0.13   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  29  22.51 +/- 4.55   0.319% *  0.1045% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  25.13 +/- 7.23   0.248% *  0.1271% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  13.91 +/- 2.21   0.797% *  0.0286% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  19.16 +/- 4.89   0.448% *  0.0324% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  26.43 +/- 5.87   0.174% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.937, support = 4.39, residual support = 91.8:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.74 +/- 0.25  39.742% * 95.1378% (0.99  10.0 10.00   4.40  92.19) =  94.255%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.40 +/- 0.14  57.150% *  4.0244% (0.04  10.0 10.00   4.28  86.33) =   5.734%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.00 +/- 1.41   1.046% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   GLU-  36 - HB3   GLU-  29  10.78 +/- 1.92   0.834% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HB3   GLU-  29  24.36 +/- 7.92   0.124% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  23.01 +/- 3.82   0.116% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  21.85 +/- 2.32   0.093% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  25.28 +/- 5.17   0.077% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.77 +/- 3.00   0.123% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  21.10 +/- 3.67   0.153% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  25.39 +/- 6.57   0.090% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.68 +/- 3.03   0.075% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.45 +/- 1.56   0.078% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  24.21 +/- 3.31   0.070% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  18.45 +/- 1.91   0.142% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  21.80 +/- 1.59   0.086% *  0.0059% (0.06   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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.518, residual support = 0.518:
          QD    LYS+  33 - HA    GLN   30   3.57 +/- 0.53  94.619% * 88.8655% (0.95   0.52   0.52) =  99.861%  kept
          HB3   LEU  123 - HA    GLN   30  23.62 +/- 5.88   1.314% *  3.4248% (0.95   0.02   0.02) =   0.053%
          QB    ALA   57 - HA    GLN   30  19.01 +/- 3.36   1.302% *  2.4869% (0.69   0.02   0.02) =   0.038%
          HD2   LYS+  74 - HA    GLN   30  14.91 +/- 2.31   2.174% *  1.3588% (0.38   0.02   0.02) =   0.035%
          HD3   LYS+ 111 - HA    GLN   30  28.00 +/- 3.48   0.221% *  2.6290% (0.73   0.02   0.02) =   0.007%
          HG3   ARG+  54 - HA    GLN   30  26.64 +/- 4.57   0.370% *  1.2350% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.88 A violated in 0 structures by 0.09 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.468, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HA    GLN   30  19.81 +/- 4.86  10.629% * 48.0646% (0.90   0.02   0.02) =  34.906%  kept
          QD1   LEU   71 - HA    GLN   30   8.99 +/- 2.44  52.226% *  8.2693% (0.15   0.02   0.02) =  29.507%  kept
          HB3   LEU  104 - HA    GLN   30  18.00 +/- 3.45  12.080% * 22.0331% (0.41   0.02   0.02) =  18.185%  kept
          QD1   LEU  123 - HA    GLN   30  18.61 +/- 4.48  15.753% *  8.2693% (0.15   0.02   0.02) =   8.900%  kept
          HG3   LYS+ 121 - HA    GLN   30  21.38 +/- 5.44   9.312% * 13.3638% (0.25   0.02   0.02) =   8.502%  kept
    Distance limit 4.10 A violated in 17 structures by 4.19 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 6.37, residual support = 156.6:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.02  81.886% * 88.2355% (0.98  10.0   6.41 159.47) =  97.809%  kept
          HN    GLU-  29 - HA    GLN   30   5.10 +/- 0.13  14.020% * 11.5298% (0.57   1.0   4.52  26.57) =   2.188%  kept
          HN    GLU-  14 - HA    GLN   30  12.23 +/- 3.66   2.288% *  0.0618% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   30  14.63 +/- 2.66   0.842% *  0.0404% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.80 +/- 4.42   0.703% *  0.0474% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  23.95 +/- 6.84   0.260% *  0.0852% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.972, support = 6.36, residual support = 156.7:
      O   HN    GLN   30 - HB2   GLN   30   3.34 +/- 0.43  77.119% * 89.5654% (0.98  10.0   6.41 159.47) =  97.935%  kept
          HN    GLU-  29 - HB2   GLN   30   5.89 +/- 0.47  14.236% * 10.1963% (0.57   1.0   3.94  26.57) =   2.058%  kept
          HN    GLU-  14 - HB2   GLN   30  12.78 +/- 3.06   2.550% *  0.0628% (0.69   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLN   30  17.02 +/- 4.42   3.098% *  0.0481% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLN   30  13.34 +/- 2.64   2.423% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLN   30  22.01 +/- 6.70   0.574% *  0.0864% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 6.91, residual support = 158.4:
      O   HN    GLN   30 - HB3   GLN   30   2.36 +/- 0.34  86.084% * 93.1252% (0.65  10.0   6.93 159.47) =  99.161%  kept
          HN    GLU-  29 - HB3   GLN   30   4.77 +/- 0.45  10.539% *  6.3929% (0.20   1.0   4.49  26.57) =   0.833%  kept
          HE1   HIS  122 - HB3   GLN   30  17.69 +/- 4.42   1.234% *  0.1329% (0.92   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB3   GLN   30  13.15 +/- 3.38   1.025% *  0.1427% (0.99   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLN   30  14.02 +/- 2.77   0.831% *  0.1249% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  21.38 +/- 6.66   0.288% *  0.0815% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.626, support = 7.28, residual support = 153.3:
          HN    GLN   30 - HG2   GLN   30   3.16 +/- 0.38  76.605% * 82.4185% (0.65   7.40 159.47) =  95.382%  kept
          HN    GLU-  29 - HG2   GLN   30   5.08 +/- 0.59  18.514% * 16.4281% (0.20   4.82  26.57) =   4.595%  kept
          HN    GLU-  14 - HG2   GLN   30  11.68 +/- 3.41   2.425% *  0.3415% (0.99   0.02   0.02) =   0.013%
          HE1   HIS  122 - HG2   GLN   30  18.27 +/- 3.99   0.992% *  0.3180% (0.92   0.02   0.02) =   0.005%
          HN    LYS+  99 - HG2   GLN   30  15.48 +/- 2.78   1.003% *  0.2989% (0.87   0.02   0.02) =   0.005%
          HN    ASP-  86 - HG2   GLN   30  22.75 +/- 6.26   0.461% *  0.1951% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.06, residual support = 158.5:
      O   HE21  GLN   30 - HG2   GLN   30   3.85 +/- 0.27  83.111% * 95.8241% (0.87  10.0   4.08 159.47) =  99.381%  kept
          HD1   TRP   27 - HG2   GLN   30   7.46 +/- 0.84  12.332% *  3.9898% (1.00   1.0   0.72   0.02) =   0.614%  kept
          QD    PHE   59 - HG2   GLN   30  16.72 +/- 2.95   1.938% *  0.1102% (1.00   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HG2   GLN   30  25.53 +/- 5.57   2.619% *  0.0759% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.70 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.18, residual support = 159.2:
      O   HE21  GLN   30 - HG3   GLN   30   3.85 +/- 0.36  61.801% * 98.4881% (0.87  10.0   3.18 159.47) =  99.837%  kept
          HD1   TRP   27 - HG3   GLN   30   7.98 +/- 0.77   7.711% *  1.2082% (1.00   1.0   0.21   0.02) =   0.153%  kept
          QD    PHE   59 - HG3   GLN   30  16.53 +/- 2.93   1.716% *  0.1133% (1.00   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HB2   LYS+ 111   9.54 +/- 1.45   5.403% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HG3   GLN   30  25.50 +/- 5.59   1.193% *  0.0780% (0.69   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   8.37 +/- 1.39   7.512% *  0.0088% (0.08   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93   9.23 +/- 2.11   8.798% *  0.0061% (0.05   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   LYS+ 111  14.09 +/- 4.34   3.359% *  0.0157% (0.14   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   LYS+ 111  24.11 +/- 4.36   0.452% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.07 +/- 2.63   1.060% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.94 +/- 3.22   0.282% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.82 +/- 3.23   0.712% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.626, support = 6.4, residual support = 153.2:
          HN    GLN   30 - HG3   GLN   30   3.58 +/- 0.63  66.540% * 82.4192% (0.65   6.52 159.47) =  95.294%  kept
          HN    GLU-  29 - HG3   GLN   30   5.66 +/- 0.82  16.873% * 15.8148% (0.20   4.09  26.57) =   4.637%  kept
          HN    GLU-  14 - HG3   GLN   30  11.97 +/- 3.41   4.142% *  0.3875% (0.99   0.02   0.02) =   0.028%
          HN    LYS+  99 - HG3   GLN   30  15.22 +/- 3.04   3.114% *  0.3391% (0.87   0.02   0.02) =   0.018%
          HE1   HIS  122 - HG3   GLN   30  17.95 +/- 4.36   2.614% *  0.3609% (0.92   0.02   0.02) =   0.016%
          HN    ASP-  86 - HG3   GLN   30  22.96 +/- 6.57   0.664% *  0.2213% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  17.14 +/- 2.24   0.880% *  0.0725% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  15.52 +/- 2.67   1.380% *  0.0281% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  21.14 +/- 2.50   0.448% *  0.0682% (0.17   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  16.11 +/- 1.06   0.843% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  26.49 +/- 3.79   0.274% *  0.0508% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  23.67 +/- 2.47   0.293% *  0.0445% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  30.33 +/- 4.35   0.166% *  0.0779% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.80 +/- 0.58   0.466% *  0.0264% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.18 +/- 2.40   0.453% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  25.43 +/- 2.97   0.237% *  0.0302% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  27.85 +/- 4.15   0.242% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.40 +/- 2.46   0.371% *  0.0060% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.169, support = 5.29, residual support = 44.0:
          HG    LEU   31 - HB3   GLN   30   4.08 +/- 0.20  49.221% * 74.9679% (0.15  1.00   6.14  51.62) =  84.277%  kept
          QD2   LEU   73 - HB3   GLN   30   5.30 +/- 2.88  45.690% * 14.8098% (0.25  1.00   0.75   3.13) =  15.454%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.36 +/- 3.00   0.864% *  7.7092% (0.49 10.00   0.02   0.02) =   0.152%  kept
          HG3   LYS+ 121 - HB3   GLN   30  20.53 +/- 5.16   1.744% *  1.5525% (0.98  1.00   0.02   0.02) =   0.062%
          QD2   LEU  123 - HB3   GLN   30  19.37 +/- 4.34   2.481% *  0.9606% (0.61  1.00   0.02   0.02) =   0.054%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.878, support = 2.25, residual support = 2.58:
          QD1   LEU   73 - HB3   GLN   30   5.27 +/- 3.52  47.676% * 56.6219% (0.87   2.60   3.13) =  82.178%  kept
          QD2   LEU   80 - HB3   GLN   30  13.33 +/- 6.34  15.978% * 19.3154% (0.99   0.78   0.02) =   9.395%  kept
          QD1   LEU  104 - HB3   GLN   30  13.36 +/- 3.52  12.120% * 15.0204% (0.87   0.69   0.02) =   5.542%  kept
          QD1   LEU   63 - HB3   GLN   30  12.14 +/- 2.63  11.187% *  8.1939% (0.87   0.38   0.02) =   2.790%  kept
          QG1   VAL   83 - HB3   GLN   30  14.59 +/- 6.01   6.139% *  0.2068% (0.41   0.02   0.02) =   0.039%
          QD2   LEU  115 - HB3   GLN   30  16.24 +/- 3.49   2.353% *  0.5018% (1.00   0.02   0.02) =   0.036%
          QD2   LEU   63 - HB3   GLN   30  12.49 +/- 2.08   4.547% *  0.1398% (0.28   0.02   0.02) =   0.019%
    Distance limit 3.84 A violated in 1 structures by 0.44 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.777, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  18.77 +/- 4.31  33.407% * 54.6388% (0.97   0.02   0.02) =  56.780%  kept
          HG3   LYS+ 121 - HB2   GLN   30  19.83 +/- 5.12  28.960% * 36.6255% (0.65   0.02   0.02) =  32.994%  kept
          QD1   ILE   56 - HB2   GLN   30  17.26 +/- 2.84  37.633% *  8.7356% (0.15   0.02   0.02) =  10.226%  kept
    Distance limit 3.59 A violated in 20 structures by 10.64 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.875, support = 1.12, residual support = 2.61:
          QD1   LEU   73 - HB2   GLN   30   5.70 +/- 3.33  46.152% * 56.8831% (0.87   1.28   3.13) =  83.350%  kept
          QD2   LEU   80 - HB2   GLN   30  13.90 +/- 6.32  14.084% * 15.4657% (0.99   0.31   0.02) =   6.915%  kept
          QD1   LEU  104 - HB2   GLN   30  12.76 +/- 3.25  12.366% * 13.0051% (0.87   0.29   0.02) =   5.106%  kept
          QD1   LEU   63 - HB2   GLN   30  11.91 +/- 2.27  10.657% * 12.9239% (0.87   0.29   0.02) =   4.373%  kept
          QD2   LEU  115 - HB2   GLN   30  16.06 +/- 3.09   3.142% *  1.0187% (1.00   0.02   0.02) =   0.102%  kept
          QG1   VAL   83 - HB2   GLN   30  15.06 +/- 6.06   7.316% *  0.4197% (0.41   0.02   0.02) =   0.097%
          QD2   LEU   63 - HB2   GLN   30  12.11 +/- 1.69   6.284% *  0.2839% (0.28   0.02   0.02) =   0.057%
    Distance limit 3.83 A violated in 9 structures by 1.02 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.94, residual support = 159.4:
      O T HA    GLN   30 - HG3   GLN   30   2.97 +/- 0.58  56.447% * 98.6729% (0.65  10.0 10.00   4.94 159.47) =  99.974%  kept
          HB    THR   39 - HG3   GLN   30   9.98 +/- 2.96   3.625% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T HD3   PRO   52 - HB2   PRO   93   9.44 +/- 3.09   3.767% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.006%
          HB3   SER   37 - HG3   GLN   30   9.87 +/- 1.73   2.045% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER   13 - HG3   GLN   30  12.38 +/- 3.01   1.217% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG3   GLN   30  21.89 +/- 7.56   0.574% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   PRO   93   6.28 +/- 2.53  18.512% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   LYS+ 111  15.00 +/- 5.09   1.497% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   LYS+ 111  13.49 +/- 4.08   3.993% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   30 - HB2   LYS+ 111  26.92 +/- 3.48   0.120% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  19.32 +/- 4.29   0.616% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  23.43 +/- 5.37   0.229% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.17 +/- 4.21   0.153% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.29 +/- 1.93   2.172% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.00 +/- 2.35   0.201% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.79 +/- 1.11   1.594% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  21.87 +/- 3.43   0.231% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.76 +/- 2.18   0.361% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.50 +/- 1.27   1.412% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.75 +/- 1.76   0.302% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  25.31 +/- 3.78   0.144% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  27.11 +/- 3.12   0.101% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  28.84 +/- 4.50   0.103% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.89 +/- 2.52   0.224% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  28.57 +/- 3.16   0.087% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  24.60 +/- 3.66   0.148% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.98 +/- 1.81   0.121% *  0.0072% (0.05   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 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.07, residual support = 22.1:
          HZ2   TRP   27 - QD1   LEU   31   2.75 +/- 0.58  97.165% * 99.8282% (0.87   2.07  22.06) =  99.995%  kept
          HZ    PHE   72 - QD1   LEU   31  10.67 +/- 2.46   2.835% *  0.1718% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.883, support = 0.863, residual support = 14.8:
          HD21  ASN   28 - QD1   LEU   31   4.26 +/- 0.64  51.860% * 57.5101% (0.92   0.90  19.16) =  75.227%  kept
          HZ2   TRP   87 - QD1   LEU   31  12.48 +/- 7.23  24.474% * 39.5053% (0.76   0.75   1.61) =  24.387%  kept
          HN    LEU   63 - QD1   LEU   31  14.10 +/- 3.27   9.960% *  1.0535% (0.76   0.02   0.02) =   0.265%  kept
          QE    PHE   60 - QD1   LEU   31  11.58 +/- 2.75   7.698% *  0.2728% (0.20   0.02   0.02) =   0.053%
          HN    ALA   84 - QD1   LEU   31  14.76 +/- 5.69   4.137% *  0.3833% (0.28   0.02   0.02) =   0.040%
          HN    ILE   56 - QD1   LEU   31  18.86 +/- 2.67   0.787% *  0.8917% (0.65   0.02   0.02) =   0.018%
          HN    LYS+ 111 - QD1   LEU   31  18.85 +/- 3.73   1.083% *  0.3833% (0.28   0.02   0.02) =   0.010%
    Distance limit 3.97 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  16.45 +/- 5.96  34.583% * 52.6698% (0.97   0.02   0.02) =  56.722%  kept
          HN    ASP- 105 - QD1   LEU   31  12.24 +/- 3.57  48.390% * 18.6164% (0.34   0.02   0.02) =  28.053%  kept
          HN    PHE   55 - QD1   LEU   31  20.03 +/- 2.60  17.027% * 28.7138% (0.53   0.02   0.02) =  15.225%  kept
    Distance limit 4.36 A violated in 20 structures by 6.51 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.68, residual support = 231.5:
          HN    LEU   31 - HG    LEU   31   2.34 +/- 0.58  96.772% * 99.1390% (0.67   7.68 231.47) =  99.993%  kept
          HN    LYS+  38 - HG    LEU   31  10.77 +/- 0.92   1.927% *  0.2000% (0.52   0.02   0.02) =   0.004%
          HN    ASP-  62 - HG    LEU   31  18.13 +/- 3.79   0.855% *  0.2773% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  23.91 +/- 3.56   0.237% *  0.3065% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  24.40 +/- 3.35   0.209% *  0.0771% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 231.4:
      O   HN    LEU   31 - HB3   LEU   31   3.47 +/- 0.13  93.337% * 99.3670% (0.34  10.0   7.14 231.47) =  99.982%  kept
          HN    LYS+  38 - HB3   LEU   31   9.45 +/- 0.77   5.124% *  0.2907% (1.00   1.0   0.02   0.02) =   0.016%
          HN    ASP-  62 - HB3   LEU   31  18.73 +/- 3.59   1.231% *  0.1198% (0.41   1.0   0.02   0.02) =   0.002%
          HN    ARG+  54 - HB3   LEU   31  24.79 +/- 2.85   0.308% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.775, support = 5.35, residual support = 39.7:
          HN    GLN   32 - HB3   LEU   31   3.94 +/- 0.21  66.655% * 72.0075% (0.76   5.92  44.52) =  85.326%  kept
          HN    ALA   34 - HB3   LEU   31   5.30 +/- 0.56  30.006% * 27.4867% (0.84   2.07  11.76) =  14.662%  kept
          HN    LEU   80 - HB3   LEU   31  18.13 +/- 5.13   2.035% *  0.2312% (0.73   0.02   0.02) =   0.008%
          HN    SER   85 - HB3   LEU   31  21.42 +/- 6.66   0.998% *  0.1195% (0.38   0.02   0.02) =   0.002%
          HN    CYS   53 - HB3   LEU   31  24.54 +/- 2.56   0.305% *  0.1550% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 2.54, residual support = 19.1:
        T HA    ASN   28 - HB2   LEU   31   3.72 +/- 0.47  68.438% * 96.9992% (0.73 10.00   2.55  19.16) =  99.713%  kept
        T HA    ALA   34 - HB2   LEU   31   7.62 +/- 0.40   8.990% *  1.1980% (0.90 10.00   0.02  11.76) =   0.162%  kept
          HA    THR   26 - HB2   LEU   31   8.94 +/- 0.49   5.144% *  1.1795% (0.76  1.00   0.23   0.02) =   0.091%
          HA1   GLY  101 - HB2   LEU   31  13.09 +/- 5.74  14.244% *  0.1324% (0.99  1.00   0.02   0.02) =   0.028%
          HA    GLU- 114 - HB2   LEU   31  23.78 +/- 4.99   1.024% *  0.1324% (0.99  1.00   0.02   0.02) =   0.002%
        T HA    ALA  124 - HB2   LEU   31  25.15 +/- 5.88   0.563% *  0.2061% (0.15 10.00   0.02   0.02) =   0.002%
          HA    LEU  115 - HB2   LEU   31  20.72 +/- 4.26   0.993% *  0.1021% (0.76  1.00   0.02   0.02) =   0.002%
          HA    ARG+  54 - HB2   LEU   31  24.96 +/- 3.97   0.309% *  0.0297% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.21 +/- 2.90   0.293% *  0.0206% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.5:
      O   HN    LEU   31 - HB2   LEU   31   2.77 +/- 0.29  96.914% * 99.3670% (0.34  10.0   7.14 231.47) =  99.992%  kept
          HN    LYS+  38 - HB2   LEU   31   9.99 +/- 0.57   2.389% *  0.2907% (1.00   1.0   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   LEU   31  19.65 +/- 3.81   0.555% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   31  25.56 +/- 3.28   0.142% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 42.4:
          HN    GLN   32 - HB2   LEU   31   2.75 +/- 0.21  85.537% * 68.3572% (0.76   5.92  44.52) =  93.418%  kept
          HN    ALA   34 - HB2   LEU   31   5.32 +/- 0.32  13.214% * 31.1628% (0.84   2.47  11.76) =   6.579%  kept
          HN    LEU   80 - HB2   LEU   31  18.53 +/- 5.56   0.724% *  0.2195% (0.73   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   LEU   31  21.88 +/- 7.03   0.398% *  0.1134% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  25.33 +/- 3.00   0.128% *  0.1471% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 231.4:
      O   HN    LEU   31 - HA    LEU   31   2.78 +/- 0.08  94.862% * 99.3670% (0.34  10.0   7.14 231.47) =  99.985%  kept
          HN    LYS+  38 - HA    LEU   31   7.96 +/- 0.59   4.375% *  0.2907% (1.00   1.0   0.02   0.02) =   0.013%
          HN    ASP-  62 - HA    LEU   31  17.90 +/- 3.17   0.600% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  24.70 +/- 2.83   0.162% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.776, support = 5.45, residual support = 38.8:
      O   HN    GLN   32 - HA    LEU   31   3.60 +/- 0.03  44.853% * 83.5580% (0.76  10.0   5.92  44.52) =  82.517%  kept
          HN    ALA   34 - HA    LEU   31   3.41 +/- 0.51  53.829% * 14.7290% (0.84   1.0   3.23  11.76) =  17.456%  kept
          HN    LEU   80 - HA    LEU   31  18.61 +/- 4.89   0.750% *  1.6187% (0.73   1.0   0.41   0.02) =   0.027%
          HN    SER   85 - HA    LEU   31  22.44 +/- 6.18   0.399% *  0.0410% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.57 +/- 2.62   0.169% *  0.0532% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.616, support = 0.87, residual support = 0.898:
          QD1   LEU   73 - HA    LEU   31   7.36 +/- 3.20  41.347% * 32.6810% (0.49   1.13   1.44) =  61.753%  kept
          QD1   LEU  104 - HA    LEU   31  11.70 +/- 2.74  12.090% * 26.8436% (0.99   0.45   0.02) =  14.832%  kept
          QD2   LEU   80 - HA    LEU   31  14.62 +/- 5.75  11.702% * 25.9445% (0.87   0.50   0.02) =  13.874%  kept
          QD1   LEU   63 - HA    LEU   31  12.23 +/- 2.92  15.632% * 12.3439% (0.49   0.43   0.02) =   8.819%  kept
          QG1   VAL   83 - HA    LEU   31  15.06 +/- 6.04  12.541% *  0.9549% (0.80   0.02   0.02) =   0.547%  kept
          QD2   LEU  115 - HA    LEU   31  16.63 +/- 3.13   2.955% *  0.9961% (0.84   0.02   0.02) =   0.135%  kept
          QG2   ILE   89 - HA    LEU   31  17.65 +/- 4.72   3.732% *  0.2360% (0.20   0.02   0.02) =   0.040%
    Distance limit 3.91 A violated in 13 structures by 1.89 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.54, residual support = 16.4:
          HD1   TRP   87 - QG2   VAL   83   2.47 +/- 0.58  80.968% * 74.4509% (0.53   3.63  16.45) =  96.364%  kept
          HE3   TRP   87 - QG2   VAL   83   5.92 +/- 0.58  10.475% * 19.6872% (0.45   1.13  16.45) =   3.297%  kept
          HN    TRP   27 - QG2   VAL   83  13.68 +/- 6.03   4.756% *  4.0211% (1.00   0.10   0.02) =   0.306%  kept
          HN    ALA   91 - QG2   VAL   83   8.60 +/- 1.03   2.348% *  0.6506% (0.84   0.02   0.02) =   0.024%
          HN    ALA   61 - QG2   VAL   83  14.81 +/- 2.36   0.468% *  0.5952% (0.76   0.02   0.02) =   0.004%
          HN    THR   39 - QG2   VAL   83  18.85 +/- 3.79   0.465% *  0.4410% (0.57   0.02   0.02) =   0.003%
          HN    GLU-  36 - QG2   VAL   83  20.22 +/- 5.27   0.519% *  0.1541% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  12.68 +/- 2.13 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.24 A violated in 20 structures by 9.44 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.541, support = 0.02, residual support = 0.0717:
          QD    PHE   59 - QG2   VAL   42   6.82 +/- 1.67  49.865% * 17.5479% (0.39   0.02   0.02) =  39.173%  kept
          HE21  GLN   30 - QG2   VAL   42   9.82 +/- 2.21  24.913% * 30.1124% (0.67   0.02   0.02) =  33.585%  kept
          HH2   TRP   49 - QG2   VAL   42  16.39 +/- 3.48   9.623% * 34.7918% (0.77   0.02   0.02) =  14.988%  kept
          HD1   TRP   27 - QG2   VAL   42  11.81 +/- 2.25  15.599% * 17.5479% (0.39   0.02   0.44) =  12.254%  kept
    Distance limit 3.43 A violated in 17 structures by 2.74 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.771, support = 0.297, residual support = 1.56:
          QD2   LEU   40 - QG2   VAL   42   3.63 +/- 1.14  32.237% * 64.9776% (0.79  1.00   0.33   1.74) =  88.600%  kept
          QD1   LEU   67 - QG2   VAL   42   4.83 +/- 2.02  24.630% *  3.9321% (0.80  1.00   0.02   0.02) =   4.096%  kept
        T HB    VAL   75 - QG2   VAL   42   7.47 +/- 1.36   4.378% * 19.1820% (0.39 10.00   0.02   0.02) =   3.552%  kept
          QD2   LEU   71 - QG2   VAL   42   6.71 +/- 2.31  14.388% *  1.9182% (0.39  1.00   0.02   0.89) =   1.167%  kept
          QG2   ILE  103 - QG2   VAL   42   7.05 +/- 1.75   5.987% *  3.9059% (0.79  1.00   0.02   0.02) =   0.989%  kept
          HG3   LYS+  74 - QG2   VAL   42   9.33 +/- 2.20   6.033% *  3.7278% (0.76  1.00   0.02   0.02) =   0.951%  kept
          QD1   ILE  103 - QG2   VAL   42   7.16 +/- 1.78   7.280% *  1.4790% (0.30  1.00   0.02   0.02) =   0.455%  kept
          QG2   ILE  119 - QG2   VAL   42   8.38 +/- 1.64   5.068% *  0.8774% (0.18  1.00   0.02   0.02) =   0.188%  kept
    Distance limit 3.14 A violated in 0 structures by 0.21 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 = 0.978, support = 4.18, residual support = 21.8:
        T HZ2   TRP   27 - QD2   LEU   31   3.38 +/- 0.51  67.182% * 97.2316% (0.99 10.00   4.23  22.06) =  98.628%  kept
        T HZ2   TRP   27 - QG2   VAL   43   6.48 +/- 3.39  32.818% *  2.7684% (0.07 10.00   0.84   4.24) =   1.372%  kept
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.2, residual support = 51.6:
          HE22  GLN   30 - QD2   LEU   31   4.37 +/- 0.32  67.528% * 99.1215% (0.90   3.20  51.62) =  99.941%  kept
          HD22  ASN   69 - QD2   LEU   31  13.35 +/- 2.10   5.495% *  0.4471% (0.65   0.02   0.02) =   0.037%
          HE22  GLN   30 - QG2   VAL   43   9.53 +/- 3.22  17.154% *  0.0420% (0.06   0.02   0.02) =   0.011%
          HN    TRP   49 - QD2   LEU   31  18.32 +/- 2.67   1.710% *  0.3364% (0.49   0.02   0.02) =   0.009%
          HD22  ASN   69 - QG2   VAL   43  12.82 +/- 2.24   3.800% *  0.0303% (0.04   0.02   0.02) =   0.002%
          HN    TRP   49 - QG2   VAL   43  13.42 +/- 1.56   4.315% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.47 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.3:
      O T HA    VAL   43 - QG2   VAL   43   2.28 +/- 0.34  87.520% * 99.3737% (0.50  10.0 10.00   3.00  61.29) =  99.972%  kept
        T HA    VAL   43 - QD2   LEU   31   7.93 +/- 2.29   6.291% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.021%
          HA    HIS   22 - QG2   VAL   43  10.83 +/- 3.31   2.871% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASN   69 - QG2   VAL   43  12.18 +/- 2.20   0.936% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.72 +/- 1.10   1.611% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  12.60 +/- 1.58   0.771% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.188, support = 2.85, residual support = 19.8:
        T HZ3   TRP   27 - QD2   LEU   31   3.22 +/- 0.98  65.747% * 78.2429% (0.14 10.00   3.03  22.06) =  87.346%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.67 +/- 2.91  34.253% * 21.7571% (0.50  1.00   1.60   4.24) =  12.654%  kept
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.887, support = 4.4, residual support = 42.2:
          HN    GLN   32 - QG    GLN   32   3.50 +/- 0.58  74.733% * 84.4528% (0.92   4.46  44.46) =  94.844%  kept
          HN    ALA   34 - QG    GLN   32   5.48 +/- 0.39  22.826% * 15.0162% (0.22   3.29   0.66) =   5.151%  kept
          HN    SER   85 - QG    GLN   32  23.76 +/- 6.60   0.548% *  0.3959% (0.97   0.02   0.02) =   0.003%
          HN    LEU   80 - QG    GLN   32  20.71 +/- 5.39   1.475% *  0.0633% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.47 +/- 2.08   0.418% *  0.0718% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 4.46, residual support = 44.3:
      O   HN    GLN   32 - QB    GLN   32   2.18 +/- 0.10  90.459% * 96.0220% (0.92  10.0   4.47  44.46) =  99.605%  kept
          HN    ALA   34 - QB    GLN   32   4.75 +/- 0.26   8.959% *  3.8434% (0.22   1.0   3.32   0.66) =   0.395%  kept
          HN    SER   85 - QB    GLN   32  22.90 +/- 6.53   0.155% *  0.1004% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  19.65 +/- 5.38   0.304% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.54 +/- 2.17   0.123% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.265, support = 6.22, residual support = 54.6:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.02  25.238% * 65.7577% (0.36  10.0   6.42  26.57) =  55.795%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.77 +/- 0.05  50.591% * 25.3466% (0.14  10.0   6.11  92.19) =  43.111%  kept
          HN    GLN   30 - HA    LYS+  33   7.22 +/- 0.46   2.958% *  3.8991% (0.57   1.0   0.75   0.52) =   0.388%  kept
          HN    GLU-  14 - HA    GLU-  29  14.42 +/- 5.74   9.588% *  1.1234% (0.41   1.0   0.30   0.02) =   0.362%  kept
          HN    GLN   30 - HA    GLN   32   6.79 +/- 0.18   3.463% *  2.7960% (0.55   1.0   0.55   1.66) =   0.326%  kept
          HN    GLU-  29 - HA    GLN   32   7.66 +/- 0.41   2.449% *  0.0389% (0.21   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLN   32  16.16 +/- 4.83   0.795% *  0.1165% (0.63   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    LYS+  33  13.73 +/- 4.22   0.686% *  0.1199% (0.65   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    LYS+  33   8.58 +/- 0.71   1.837% *  0.0401% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  13.84 +/- 3.51   0.661% *  0.0916% (0.50   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  15.13 +/- 2.53   0.398% *  0.0943% (0.51   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  21.15 +/- 5.44   0.220% *  0.1010% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  16.68 +/- 3.30   0.320% *  0.0596% (0.32   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  20.87 +/- 4.80   0.176% *  0.1040% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  24.78 +/- 7.71   0.159% *  0.0916% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.33 +/- 4.98   0.206% *  0.0658% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  24.10 +/- 7.67   0.167% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  27.47 +/- 7.06   0.090% *  0.0943% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.389, support = 4.29, residual support = 43.1:
      O   HN    GLN   32 - HA    GLN   32   2.78 +/- 0.06  58.815% * 78.6328% (0.39  10.0   4.29  44.46) =  95.556%  kept
          HN    GLN   32 - HA    LYS+  33   5.16 +/- 0.16   9.433% * 19.8307% (0.40   1.0   4.90  15.73) =   3.865%  kept
          HN    GLN   32 - HA    GLU-  29   3.56 +/- 0.26  29.237% *  0.9543% (0.25   1.0   0.37   0.02) =   0.576%  kept
          HN    GLU-  79 - HA    GLN   32  21.91 +/- 4.88   1.145% *  0.0214% (0.11   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLN   32  25.45 +/- 6.99   0.155% *  0.1282% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  24.47 +/- 7.08   0.170% *  0.0834% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  28.03 +/- 6.36   0.092% *  0.1319% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.23 +/- 2.42   0.132% *  0.0676% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.80 +/- 1.78   0.101% *  0.0696% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  22.17 +/- 2.18   0.132% *  0.0440% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  23.50 +/- 4.40   0.248% *  0.0221% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  20.42 +/- 4.86   0.339% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 6.0, residual support = 138.0:
      O   HN    LYS+  33 - HA    LYS+  33   2.85 +/- 0.03  50.748% * 79.2387% (0.69  10.0   6.23 154.24) =  88.291%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.03  26.062% * 20.3779% (0.18  10.0   4.33  15.73) =  11.661%  kept
          HN    LYS+  33 - HA    GLU-  29   4.30 +/- 0.87  20.807% *  0.1008% (0.19   1.0   0.09   0.02) =   0.046%
          HN    CYS   21 - HA    LYS+  33  14.66 +/- 1.95   0.442% *  0.1035% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.99 +/- 1.61   0.810% *  0.0289% (0.25   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLN   32  15.06 +/- 1.51   0.384% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  23.88 +/- 3.63   0.116% *  0.0517% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  24.64 +/- 4.71   0.191% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  28.02 +/- 5.61   0.074% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  23.82 +/- 3.98   0.131% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  25.02 +/- 6.14   0.117% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  25.50 +/- 6.31   0.119% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.672, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  15.93 +/- 2.34  15.481% * 37.1179% (0.92   0.02   0.02) =  39.818%  kept
          HE3   TRP   27 - QB    LYS+  33   8.84 +/- 1.19  65.152% *  5.4417% (0.14   0.02   0.02) =  24.568%  kept
          HN    LYS+  81 - QB    LYS+  33  22.27 +/- 5.35   7.707% * 39.4132% (0.98   0.02   0.02) =  21.048%  kept
          HN    LYS+  66 - QB    LYS+  33  16.65 +/- 2.48  11.660% * 18.0271% (0.45   0.02   0.02) =  14.566%  kept
    Distance limit 3.77 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 = 6.16, residual support = 154.2:
      O   HN    LYS+  33 - QB    LYS+  33   2.28 +/- 0.22  98.825% * 99.9232% (0.97  10.0   6.16 154.24) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  11.40 +/- 1.89   0.975% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  20.64 +/- 3.17   0.201% *  0.0181% (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 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.877, support = 5.61, residual support = 37.1:
          HN    ALA   34 - QB    LYS+  33   3.29 +/- 0.38  69.639% * 67.2772% (0.92   5.93  41.49) =  83.139%  kept
          HN    GLN   32 - QB    LYS+  33   4.54 +/- 0.37  29.413% * 32.2998% (0.65   4.06  15.73) =  16.859%  kept
          HN    LEU   80 - QB    LYS+  33  20.24 +/- 4.92   0.490% *  0.2054% (0.84   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    LYS+  33  25.52 +/- 2.86   0.175% *  0.1492% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  24.30 +/- 5.63   0.284% *  0.0684% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.547, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  16.27 +/- 2.79  24.365% * 24.3087% (0.57   0.02   0.02) =  34.477%  kept
          HN    GLY   16 - QB    LYS+  33  10.55 +/- 3.32  56.606% *  8.4971% (0.20   0.02   0.02) =  27.998%  kept
          HN    SER   82 - QB    LYS+  33  22.81 +/- 6.09  12.923% * 34.3809% (0.80   0.02   0.02) =  25.863%  kept
          HN    GLN   90 - QB    LYS+  33  25.43 +/- 4.39   6.105% * 32.8133% (0.76   0.02   0.02) =  11.661%  kept
    Distance limit 3.98 A violated in 17 structures by 6.01 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.516, support = 5.6, residual support = 150.4:
      O   HA    LYS+  33 - HG2   LYS+  33   3.86 +/- 0.36  36.944% * 92.8419% (0.53  10.0   5.66 154.24) =  97.176%  kept
          HB2   SER   82 - QG    LYS+  81   5.77 +/- 1.35  17.714% *  4.7259% (0.13   1.0   4.02  19.89) =   2.372%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.10 +/- 0.91  12.970% *  0.9540% (0.38   1.0   0.29   0.02) =   0.351%  kept
          HB2   SER   37 - HG2   LYS+  33   6.94 +/- 2.10  14.928% *  0.1474% (0.84   1.0   0.02   0.02) =   0.062%
          HA1   GLY   16 - HG2   LYS+  33  12.47 +/- 3.00   7.987% *  0.0859% (0.49   1.0   0.02   0.02) =   0.019%
          HA    VAL   70 - HG2   LYS+  33  11.91 +/- 2.11   1.730% *  0.1474% (0.84   1.0   0.02   0.02) =   0.007%
          HA    VAL   18 - HG2   LYS+  33  10.75 +/- 1.70   2.410% *  0.0602% (0.34   1.0   0.02   0.02) =   0.004%
          HA    GLN  116 - HG2   LYS+ 106  16.11 +/- 2.40   0.647% *  0.0894% (0.51   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+ 106  17.23 +/- 2.52   0.534% *  0.0894% (0.51   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HG2   LYS+  33  22.97 +/- 3.33   0.208% *  0.1474% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  20.49 +/- 2.20   0.269% *  0.0894% (0.51   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  25.03 +/- 7.85   0.387% *  0.0491% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  23.19 +/- 3.77   0.241% *  0.0706% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  21.59 +/- 5.95   0.485% *  0.0317% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.16 +/- 1.64   0.212% *  0.0706% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  21.85 +/- 5.48   0.464% *  0.0298% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.52 +/- 2.12   0.208% *  0.0563% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.71 +/- 3.26   0.165% *  0.0706% (0.40   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  20.59 +/- 3.07   0.313% *  0.0365% (0.21   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  25.04 +/- 5.10   0.238% *  0.0445% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  24.35 +/- 3.46   0.202% *  0.0521% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  21.09 +/- 5.72   0.352% *  0.0288% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  22.20 +/- 2.93   0.224% *  0.0402% (0.23   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  25.59 +/- 4.79   0.169% *  0.0411% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.05, residual support = 123.8:
        T QD1   ILE   56 - QG2   ILE   56   2.26 +/- 0.66  88.067% * 99.6085% (0.98 10.00   5.05 123.83) =  99.989%  kept
          QD2   LEU   73 - QG2   ILE   56  11.84 +/- 3.28   8.801% *  0.0814% (0.80  1.00   0.02   0.02) =   0.008%
        T QG1   VAL   41 - QG2   ILE   56  13.86 +/- 1.89   0.731% *  0.1568% (0.15 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  13.77 +/- 1.47   0.719% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG2   ILE   56  18.53 +/- 2.99   0.384% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.57 +/- 2.10   1.298% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   4.25 +/- 1.87  72.870% * 49.9558% (0.99 10.00   0.02   0.02) =  95.540%  kept
        T HA    ILE   19 - QG2   ILE   56  16.52 +/- 3.24   3.234% * 42.0992% (0.84 10.00   0.02   0.02) =   3.574%  kept
          HA    GLU- 114 - QG2   ILE   56   8.95 +/- 1.35  20.251% *  1.2568% (0.25  1.00   0.02   0.02) =   0.668%  kept
          HA    GLU-  25 - QG2   ILE   56  20.98 +/- 3.55   1.214% *  3.0570% (0.61  1.00   0.02   0.02) =   0.097%
          HA    THR   26 - QG2   ILE   56  20.66 +/- 3.44   1.299% *  2.8535% (0.57  1.00   0.02   0.02) =   0.097%
          HA1   GLY  101 - QG2   ILE   56  21.88 +/- 2.18   1.131% *  0.7777% (0.15  1.00   0.02   0.02) =   0.023%
    Distance limit 3.22 A violated in 8 structures by 1.23 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 = 0.901, support = 3.96, residual support = 19.9:
          HA    PHE   55 - QG2   ILE   56   4.60 +/- 0.50  44.493% * 89.1145% (0.92   4.23  21.41) =  92.193%  kept
          HA    ALA  110 - QG2   ILE   56   7.75 +/- 4.31  33.746% *  9.8544% (0.65   0.67   1.76) =   7.732%  kept
          HA    THR   46 - QG2   ILE   56   8.17 +/- 2.52  14.381% *  0.0902% (0.20   0.02   0.02) =   0.030%
          HA    VAL   42 - QG2   ILE   56  12.44 +/- 1.83   2.565% *  0.3651% (0.80   0.02   0.02) =   0.022%
          HA    GLN   90 - QG2   ILE   56  14.32 +/- 3.34   1.805% *  0.3484% (0.76   0.02   0.02) =   0.015%
          HA    GLN   17 - QG2   ILE   56  16.78 +/- 3.54   2.612% *  0.1137% (0.25   0.02   0.02) =   0.007%
          HA    SER   37 - QG2   ILE   56  23.04 +/- 2.45   0.399% *  0.1137% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 2 structures by 0.59 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  11.15 +/- 1.44 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.05 A violated in 20 structures by 8.10 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 5.27, residual support = 31.5:
          HN    ALA   57 - QG2   ILE   56   3.41 +/- 0.57  76.075% * 99.1085% (0.92   5.27  31.57) =  99.896%  kept
          HE21  GLN  116 - QG2   ILE   56   8.68 +/- 2.66  18.909% *  0.3532% (0.87   0.02   0.02) =   0.088%
          HN    ALA  120 - QG2   ILE   56  10.45 +/- 1.80   3.935% *  0.1982% (0.49   0.02   0.02) =   0.010%
          HE21  GLN   90 - QG2   ILE   56  17.35 +/- 3.44   1.081% *  0.3401% (0.84   0.02   0.02) =   0.005%
    Distance limit 3.54 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.641, support = 6.62, residual support = 122.2:
          HN    ILE   56 - QG2   ILE   56   2.61 +/- 0.71  70.443% * 91.3335% (0.65   6.70 123.83) =  98.650%  kept
          QE    PHE   60 - QG2   ILE   56   6.40 +/- 2.03  19.442% *  3.1256% (0.20   0.75   4.20) =   0.932%  kept
          HN    LYS+ 111 - QG2   ILE   56   7.69 +/- 3.06   5.918% *  4.3913% (0.28   0.75   1.79) =   0.398%  kept
          HN    LEU   63 - QG2   ILE   56   8.74 +/- 1.41   3.108% *  0.3219% (0.76   0.02   0.02) =   0.015%
          HZ2   TRP   87 - QG2   ILE   56  16.89 +/- 2.93   0.400% *  0.3219% (0.76   0.02   0.02) =   0.002%
          HD21  ASN   28 - QG2   ILE   56  19.00 +/- 2.97   0.275% *  0.3888% (0.92   0.02   0.02) =   0.002%
          HN    ALA   84 - QG2   ILE   56  16.60 +/- 3.62   0.414% *  0.1171% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.787, support = 2.42, residual support = 5.22:
        T HB    THR   39 - QB    ALA   34   4.51 +/- 1.43  35.924% * 93.0483% (0.80 10.00   2.48   5.25) =  94.217%  kept
          HA    GLN   30 - QB    ALA   34   4.44 +/- 1.08  34.702% *  4.3436% (0.44  1.00   1.72   6.35) =   4.249%  kept
          HB3   SER   37 - QB    ALA   34   5.21 +/- 0.58  24.398% *  2.2166% (0.69  1.00   0.56   0.25) =   1.524%  kept
          QB    SER   13 - QB    ALA   34  12.14 +/- 2.90   1.857% *  0.0958% (0.83  1.00   0.02   0.02) =   0.005%
          HB3   SER   82 - QB    ALA   34  19.60 +/- 5.46   0.768% *  0.1028% (0.89  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QB    ALA   34  14.92 +/- 3.05   1.135% *  0.0389% (0.34  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QB    ALA   34  20.05 +/- 4.22   0.511% *  0.0793% (0.69  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  23.28 +/- 2.42   0.265% *  0.0587% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.59 +/- 2.05   0.442% *  0.0160% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.77, residual support = 11.8:
          HA    LEU   31 - QB    ALA   34   2.47 +/- 0.50 100.000% *100.0000% (0.65   1.77  11.76) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.752, support = 2.9, residual support = 8.0:
        T QG1   VAL   41 - QB    ALA   34   3.16 +/- 1.68  55.499% * 88.3962% (0.75 10.00   2.94   7.84) =  95.513%  kept
          HG    LEU   31 - QB    ALA   34   4.92 +/- 0.78  21.436% * 10.4261% (0.83  1.00   2.13  11.76) =   4.351%  kept
        T QG2   VAL   18 - QB    ALA   34   9.66 +/- 2.02  13.789% *  0.4351% (0.37 10.00   0.02   0.02) =   0.117%  kept
          QD2   LEU   73 - QB    ALA   34   6.50 +/- 1.73   5.074% *  0.0847% (0.72  1.00   0.02   0.02) =   0.008%
        T QD1   ILE   56 - QB    ALA   34  15.12 +/- 2.07   0.519% *  0.5568% (0.47 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - QB    ALA   34   7.86 +/- 1.71   3.013% *  0.0685% (0.58  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QB    ALA   34  13.78 +/- 1.62   0.670% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.45, residual support = 21.4:
          HN    ASN   35 - QB    ALA   34   3.01 +/- 0.05  95.749% * 98.6568% (0.62   3.45  21.39) =  99.982%  kept
          HN    ALA   12 - QB    ALA   34  15.30 +/- 3.26   1.013% *  0.8298% (0.89   0.02   0.02) =   0.009%
          HN    PHE   97 - QB    ALA   34  11.18 +/- 1.80   2.416% *  0.2567% (0.28   0.02   0.02) =   0.007%
          HN    LEU  115 - QB    ALA   34  17.38 +/- 2.83   0.822% *  0.2567% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.69, residual support = 25.1:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.06  98.775% * 99.6936% (0.58  10.0   3.69  25.06) =  99.999%  kept
          HN    LEU   80 - QB    ALA   34  16.94 +/- 3.72   0.312% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - QB    ALA   34  10.53 +/- 0.98   0.809% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.14 +/- 2.15   0.104% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 3.49, residual support = 25.1:
      O   HN    ALA   34 - HA    ALA   34   2.74 +/- 0.02  91.775% * 99.6949% (0.87  10.0   3.49  25.06) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.68 +/- 0.20   6.370% *  0.0287% (0.25   1.0   0.02   0.66) =   0.002%
          HN    LEU   80 - HA    ALA   34  21.92 +/- 4.35   0.266% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  22.56 +/- 6.22   0.913% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.76 +/- 2.69   0.111% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  25.37 +/- 6.29   0.374% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.63 +/- 1.47   0.103% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  30.75 +/- 3.72   0.089% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.837, support = 1.7, residual support = 4.49:
          HB    THR   39 - HA    ALA   34   4.61 +/- 1.80  32.606% * 72.5118% (0.88   2.00   5.25) =  77.369%  kept
          HB3   SER   37 - HA    ALA   34   4.08 +/- 0.82  34.810% * 14.4443% (0.89   0.39   0.25) =  16.454%  kept
          HA    GLN   30 - HA    ALA   34   5.65 +/- 1.17  19.948% *  9.3348% (0.16   1.44   6.35) =   6.094%  kept
          QB    SER   13 - HA    ALA   34  13.61 +/- 3.40   1.311% *  0.7139% (0.87   0.02   0.02) =   0.031%
          HB3   SER   37 - HA    ALA  124  20.77 +/- 6.85   1.968% *  0.1694% (0.21   0.02   0.02) =   0.011%
          HB    THR   39 - HA    ALA  124  18.68 +/- 6.22   1.902% *  0.1665% (0.20   0.02   0.02) =   0.010%
          HB    THR  118 - HA    ALA   34  18.89 +/- 3.45   0.540% *  0.5653% (0.69   0.02   0.02) =   0.010%
          QB    SER   13 - HA    ALA  124  21.67 +/- 6.22   1.019% *  0.1639% (0.20   0.02   0.02) =   0.005%
          HA    GLN   30 - HA    ALA  124  23.57 +/- 6.39   4.384% *  0.0297% (0.04   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    ALA   34  25.98 +/- 4.88   0.155% *  0.7381% (0.89   0.02   0.02) =   0.004%
          HB    THR  118 - HA    ALA  124  14.14 +/- 0.48   0.830% *  0.1298% (0.16   0.02   0.02) =   0.004%
          HB3   SER   82 - HA    ALA   34  25.26 +/- 6.47   0.191% *  0.5372% (0.65   0.02   0.02) =   0.003%
          HD3   PRO   52 - HA    ALA   34  29.39 +/- 3.04   0.107% *  0.1647% (0.20   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  31.64 +/- 2.60   0.074% *  0.1694% (0.21   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  35.58 +/- 4.43   0.056% *  0.1233% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.61 +/- 1.69   0.101% *  0.0378% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.896, support = 4.02, residual support = 54.5:
      O T HA    ASN   35 - HB2   ASN   35   2.63 +/- 0.12  75.070% * 97.2097% (0.90  10.0 10.00   4.02  54.60) =  99.893%  kept
          HA    SER   13 - HB2   ASN   28  16.81 +/- 6.34  15.211% *  0.3762% (0.14   1.0  1.00   0.50   0.02) =   0.078%
        T HA    LEU   40 - HB2   ASN   35  10.23 +/- 1.28   1.527% *  0.7012% (0.65   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  15 - HB2   ASN   35  15.99 +/- 3.50   0.547% *  0.4860% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  15 - HB2   ASN   28  16.10 +/- 4.30   1.368% *  0.1512% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASN   35 - HB2   ASN   28  13.40 +/- 0.74   0.600% *  0.3024% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   35  11.78 +/- 2.93   1.530% *  0.0828% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - HB2   ASN   28  15.69 +/- 1.99   0.452% *  0.2181% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   ASN   28  16.36 +/- 4.27   1.860% *  0.0258% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   ASN   35  24.10 +/- 6.09   0.207% *  0.1062% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  17.83 +/- 4.64   0.376% *  0.0486% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  26.85 +/- 6.41   0.375% *  0.0331% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.80 +/- 3.52   0.067% *  0.1001% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.78 +/- 3.78   0.109% *  0.0528% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  23.21 +/- 4.88   0.300% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.77 +/- 4.67   0.145% *  0.0311% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  28.55 +/- 4.78   0.101% *  0.0446% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  27.48 +/- 5.51   0.156% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.84, residual support = 54.6:
      O   HN    ASN   35 - HB2   ASN   35   3.16 +/- 0.43  76.094% * 99.3102% (0.57  10.0   5.84  54.60) =  99.933%  kept
          HN    GLU-  14 - HB2   ASN   28  16.12 +/- 6.32  14.568% *  0.3167% (0.11   1.0   0.34   0.02) =   0.061%
          HN    LYS+  99 - HB2   ASN   35  13.20 +/- 3.46   1.954% *  0.0993% (0.57   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HB2   ASN   28  11.00 +/- 0.71   2.082% *  0.0309% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASN   35  17.21 +/- 4.50   0.715% *  0.0598% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  21.03 +/- 5.61   0.409% *  0.0854% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  17.23 +/- 4.15   1.112% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  18.59 +/- 7.24   2.074% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  19.97 +/- 5.33   0.541% *  0.0307% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.74 +/- 5.18   0.451% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 54.6:
      O   HD21  ASN   35 - HB2   ASN   35   3.07 +/- 0.47  92.920% * 99.7208% (1.00  10.0   3.58  54.60) =  99.998%  kept
          HD21  ASN   35 - HB2   ASN   28  11.61 +/- 1.39   2.433% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  11.93 +/- 1.18   2.197% *  0.0237% (0.24   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   35  19.80 +/- 2.26   0.499% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.15 +/- 2.92   0.515% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.92 +/- 4.37   0.477% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.51 +/- 3.75   0.136% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  20.14 +/- 2.91   0.467% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  33.26 +/- 5.14   0.107% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  26.37 +/- 5.74   0.248% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.815, support = 2.55, residual support = 6.87:
        T HA    GLN   32 - HB2   ASN   35   4.73 +/- 0.92  27.585% * 74.0291% (0.99 10.00   2.08   3.60) =  78.674%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.21 +/- 0.26  35.064% *  7.9253% (0.11 10.00   5.73  32.63) =  10.706%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.47 +/- 0.40  16.436% * 16.6286% (0.22 10.00   2.85   5.20) =  10.530%  kept
        T HA    GLN   32 - HB2   ASN   28   8.42 +/- 0.87   4.750% *  0.2303% (0.31 10.00   0.02   0.02) =   0.042%
        T HA    GLU-  29 - HB2   ASN   35   9.76 +/- 0.84   2.690% *  0.2548% (0.34 10.00   0.02   0.02) =   0.026%
        T HA    LYS+  65 - HB2   ASN   35  20.24 +/- 3.82   0.626% *  0.3349% (0.45 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  33 - HB2   ASN   28  10.31 +/- 0.93   2.460% *  0.0517% (0.07 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HB2   ASN   28  19.53 +/- 3.29   0.639% *  0.1042% (0.14 10.00   0.02   0.02) =   0.003%
          HA    VAL   18 - HB2   ASN   35  16.70 +/- 2.38   1.291% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   28  19.60 +/- 9.01   2.153% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   ASN   35  18.17 +/- 3.42   0.718% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASN   28  22.52 +/- 4.46   0.549% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  29.61 +/- 5.90   0.138% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  14.45 +/- 2.36   1.154% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  27.04 +/- 7.78   0.275% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  23.41 +/- 6.16   0.334% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.44 +/- 2.99   0.114% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  18.91 +/- 3.85   0.802% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.90 +/- 2.93   0.087% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  26.56 +/- 6.34   0.223% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  20.32 +/- 6.90   0.703% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.37 +/- 4.15   0.222% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  24.65 +/- 5.13   0.267% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  26.42 +/- 6.22   0.721% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 4.96, residual support = 51.9:
          QB    GLU-  36 - HB3   ASN   35   4.25 +/- 0.25  69.255% * 97.6904% (0.99   4.97  52.13) =  99.644%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.03 +/- 0.85  20.104% *  1.0341% (0.18   0.30   0.02) =   0.306%  kept
          HB3   GLU-  29 - HB3   ASN   35   9.97 +/- 0.89   5.833% *  0.3658% (0.92   0.02   0.02) =   0.031%
          HG3   GLU-  29 - HB3   ASN   35  11.79 +/- 0.71   3.445% *  0.2244% (0.57   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HB3   ASN   35  23.05 +/- 4.61   1.159% *  0.3824% (0.97   0.02   0.02) =   0.007%
          HB2   GLN   90 - HB3   ASN   35  31.68 +/- 4.46   0.204% *  0.3029% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.731, support = 5.43, residual support = 45.3:
          QB    GLU-  36 - HB2   ASN   35   5.03 +/- 0.44  23.942% * 65.7154% (0.99  1.00   5.42  52.13) =  65.979%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.46 +/- 0.74  34.448% * 12.2297% (0.18  1.00   5.68  32.63) =  17.666%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.42 +/- 0.43  19.819% * 18.9607% (0.29  1.00   5.40  32.63) =  15.759%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.47 +/- 1.04  13.296% *  0.9027% (0.18  1.00   0.42   0.02) =   0.503%  kept
        T HB3   GLU-  79 - HB2   ASN   28  16.87 +/- 5.20   1.343% *  0.7342% (0.30 10.00   0.02   0.02) =   0.041%
          HB3   GLU-  29 - HB2   ASN   35  11.18 +/- 0.73   2.099% *  0.2258% (0.92  1.00   0.02   0.02) =   0.020%
          HB3   GLU-  79 - HB2   ASN   35  23.61 +/- 4.69   1.118% *  0.2360% (0.97  1.00   0.02   0.02) =   0.011%
          HG3   GLU-  29 - HB2   ASN   35  12.98 +/- 0.86   1.368% *  0.1385% (0.57  1.00   0.02   0.02) =   0.008%
        T HB2   GLN   90 - HB2   ASN   28  25.42 +/- 5.01   0.259% *  0.5814% (0.24 10.00   0.02   0.02) =   0.006%
          QB    GLU-  36 - HB2   ASN   28  12.07 +/- 1.07   1.640% *  0.0754% (0.31  1.00   0.02   0.02) =   0.005%
          HB2   GLN   90 - HB2   ASN   35  32.00 +/- 4.44   0.113% *  0.1869% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  17.25 +/- 0.96   0.554% *  0.0133% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 1.88, residual support = 4.46:
          HA    LYS+  33 - HB3   ASN   35   4.21 +/- 0.26  39.039% * 55.7274% (0.92  1.00   1.76   5.20) =  54.405%  kept
          HA    GLN   32 - HB3   ASN   35   3.75 +/- 0.59  53.089% * 34.0886% (0.49  1.00   2.04   3.60) =  45.257%  kept
        T HA    VAL   18 - HB3   ASN   35  15.97 +/- 2.38   1.401% *  6.8383% (1.00 10.00   0.02   0.02) =   0.240%  kept
          HA    GLU-  29 - HB3   ASN   35   8.59 +/- 0.75   4.247% *  0.6793% (0.99  1.00   0.02   0.02) =   0.072%
          HA    VAL   70 - HB3   ASN   35  13.83 +/- 2.26   1.322% *  0.4434% (0.65  1.00   0.02   0.02) =   0.015%
          HB2   SER   82 - HB3   ASN   35  26.58 +/- 7.95   0.315% *  0.6838% (1.00  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - HB3   ASN   35  25.56 +/- 3.78   0.215% *  0.4434% (0.65  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   ASN   35  28.94 +/- 2.92   0.130% *  0.5238% (0.76  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  29.35 +/- 5.90   0.148% *  0.3606% (0.53  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB3   ASN   35  31.55 +/- 2.98   0.094% *  0.2115% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.6:
      O   HA    ASN   35 - HB3   ASN   35   3.03 +/- 0.03  91.917% * 99.4336% (0.90  10.0   3.95  54.60) =  99.994%  kept
          HA    LYS+  99 - HB3   ASN   35  12.03 +/- 2.71   2.442% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   ASN   35  10.41 +/- 0.99   2.531% *  0.0717% (0.65   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   ASN   35  15.29 +/- 3.58   1.434% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  24.14 +/- 5.94   0.412% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  17.15 +/- 4.26   0.755% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.57 +/- 3.39   0.125% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  25.46 +/- 3.77   0.210% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  28.53 +/- 4.38   0.173% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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   2.43 +/- 0.37  99.250% * 99.8105% (1.00  10.0   3.26  54.60) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  18.81 +/- 2.18   0.273% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  18.96 +/- 2.81   0.339% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.09 +/- 3.69   0.084% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  32.92 +/- 5.16   0.054% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 51.9:
          HN    GLU-  36 - HB3   ASN   35   2.84 +/- 0.19  91.321% * 92.5939% (0.97   5.91  52.13) =  99.519%  kept
          HN    THR   39 - HB3   ASN   35   7.15 +/- 0.55   5.983% *  6.7350% (0.90   0.46   0.02) =   0.474%  kept
          HN    LYS+ 102 - HB3   ASN   35  13.98 +/- 4.65   1.629% *  0.2712% (0.84   0.02   0.02) =   0.005%
          HN    TRP   27 - HB3   ASN   35  13.86 +/- 0.75   0.833% *  0.1002% (0.31   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB3   ASN   35  25.34 +/- 6.73   0.234% *  0.2997% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.60 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 = 5.87, residual support = 54.6:
      O   HN    ASN   35 - HB3   ASN   35   2.27 +/- 0.17  99.655% * 99.9102% (0.97  10.0   5.87  54.60) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  19.28 +/- 4.97   0.345% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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   3.50 +/- 0.33 100.000% *100.0000% (0.99  10.0   3.26  54.60) = 100.000%  kept
    Distance limit 4.18 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 = 51.8:
          HN    GLU-  36 - HB2   ASN   35   3.67 +/- 0.26  77.457% * 95.0075% (0.92   6.05  52.13) =  99.302%  kept
          HN    THR   39 - HB2   ASN   35   7.17 +/- 0.55  12.012% *  4.1413% (0.53   0.46   0.02) =   0.671%  kept
          HN    LYS+ 102 - HB2   ASN   35  13.55 +/- 4.87   4.107% *  0.3395% (1.00   0.02   0.02) =   0.019%
          HN    GLU-  36 - HB2   ASN   28  12.51 +/- 0.91   2.167% *  0.0977% (0.29   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   28  18.30 +/- 4.77   1.318% *  0.1056% (0.31   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   ASN   35  25.61 +/- 6.68   0.638% *  0.1927% (0.57   0.02   0.02) =   0.002%
          HN    THR   39 - HB2   ASN   28  14.87 +/- 1.07   1.258% *  0.0557% (0.16   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  20.10 +/- 6.89   1.043% *  0.0599% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.11 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   2.41 +/- 0.18  96.392% * 99.4140% (0.84  10.0 10.00   5.56  86.33) =  99.996%  kept
        T HA    GLU-  36 - HB3   GLU-  29  11.91 +/- 1.32   0.898% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  124 - QB    GLU-  36  21.35 +/- 6.77   1.279% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  18.81 +/- 2.69   0.275% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  26.11 +/- 4.37   0.100% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  26.95 +/- 7.16   0.532% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  23.92 +/- 5.89   0.163% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  21.54 +/- 2.82   0.185% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  27.49 +/- 3.51   0.085% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.37 +/- 4.74   0.091% *  0.0082% (0.07   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.6:
          HN    SER   37 - QB    GLU-  36   3.26 +/- 0.36  60.689% * 91.2937% (0.45   3.71  18.82) =  98.625%  kept
          HN    LYS+  33 - QB    GLU-  36   5.36 +/- 0.53  14.936% *  4.8978% (0.28   0.32   0.02) =   1.302%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.34 +/- 0.86  18.143% *  0.0945% (0.09   0.02   0.02) =   0.031%
          HN    CYS   21 - HB3   GLU-  29  11.15 +/- 2.10   2.625% *  0.3279% (0.30   0.02   0.02) =   0.015%
          HN    CYS   21 - QB    GLU-  36  15.36 +/- 2.00   0.675% *  1.0584% (0.97   0.02   0.02) =   0.013%
          HN    SER   37 - HB3   GLU-  29  11.05 +/- 1.45   1.951% *  0.1523% (0.14   0.02   0.02) =   0.005%
          HN    ILE  119 - QB    GLU-  36  22.12 +/- 3.57   0.241% *  0.9513% (0.87   0.02   0.02) =   0.004%
          HN    ILE  119 - HB3   GLU-  29  24.82 +/- 4.95   0.396% *  0.2947% (0.27   0.02   0.02) =   0.002%
          HN    ILE   89 - QB    GLU-  36  26.90 +/- 4.56   0.156% *  0.7095% (0.65   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   GLU-  29  25.98 +/- 5.67   0.188% *  0.2198% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.01 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   2.12 +/- 0.11  93.471% * 96.5540% (0.69  10.0   7.31  86.33) =  99.872%  kept
          HN    THR   39 - QB    GLU-  36   6.28 +/- 0.39   3.655% *  3.1416% (0.28   1.0   1.61   0.85) =   0.127%  kept
          HN    LYS+ 102 - QB    GLU-  36  14.49 +/- 3.10   0.418% *  0.1219% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29   9.68 +/- 1.23   1.131% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.92 +/- 3.88   0.222% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.67 +/- 1.63   0.566% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  17.97 +/- 1.27   0.168% *  0.0350% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  24.75 +/- 5.19   0.087% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.10 +/- 3.35   0.169% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  23.78 +/- 6.52   0.112% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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   3.67 +/- 0.37  97.907% * 98.3912% (0.28   4.82  86.33) =  99.984%  kept
          HN    LYS+ 102 - HG2   GLU-  36  16.71 +/- 3.83   1.478% *  0.6585% (0.45   0.02   0.02) =   0.010%
          HN    ASP- 105 - HG2   GLU-  36  20.78 +/- 1.88   0.616% *  0.9502% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.46 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 = 4.77, residual support = 85.3:
          HN    GLU-  36 - HG3   GLU-  36   3.64 +/- 0.65  83.953% * 90.9581% (0.69   4.82  86.33) =  98.838%  kept
          HN    THR   39 - HG3   GLU-  36   7.68 +/- 1.22  10.991% *  8.0947% (0.28   1.06   0.85) =   1.152%  kept
          HN    LYS+ 102 - HG3   GLU-  36  16.85 +/- 3.77   1.199% *  0.4768% (0.87   0.02   0.02) =   0.007%
          HN    ASP- 105 - HG3   GLU-  36  20.89 +/- 2.04   0.504% *  0.1371% (0.25   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    MET   11  17.38 +/- 4.28   1.243% *  0.0470% (0.09   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  28.62 +/- 5.96   0.278% *  0.1696% (0.31   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QB    MET   11  26.39 +/- 4.62   0.311% *  0.0594% (0.11   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  18.13 +/- 3.85   0.934% *  0.0190% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  29.40 +/- 4.76   0.334% *  0.0211% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.26 +/- 3.82   0.252% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 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  98.826% * 99.6076% (0.28  10.0   6.05  86.33) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  15.71 +/- 4.02   0.883% *  0.1606% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP- 105 - HA    GLU-  36  19.96 +/- 1.45   0.291% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 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 = 29.5:
      O   HN    SER   37 - HB2   SER   37   3.02 +/- 0.33  98.350% * 99.7690% (0.98  10.0   3.80  29.46) =  99.999%  kept
          HN    ILE  119 - HB2   SER   37  20.37 +/- 3.41   0.483% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB2   SER   37  15.62 +/- 2.17   0.999% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  27.84 +/- 3.79   0.168% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.55, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  12.79 +/- 1.59  13.877% * 22.4691% (0.82   0.02   0.02) =  25.208%  kept
          HN    GLN   30 - HB3   SER   37  10.71 +/- 1.43  23.920% * 12.9780% (0.47   0.02   0.02) =  25.097%  kept
          HN    GLU-  29 - QB    SER   13  14.35 +/- 5.00  16.663% * 17.1942% (0.63   0.02   0.02) =  23.162%  kept
          HN    GLN   30 - QB    SER   13  13.57 +/- 4.04  12.803% *  9.9312% (0.36   0.02   0.02) =  10.280%  kept
          HN    VAL   18 - QB    SER   13  11.12 +/- 1.71  19.280% *  4.8772% (0.18   0.02   0.02) =   7.602%  kept
          HN    VAL   18 - HB3   SER   37  14.99 +/- 2.94  10.405% *  6.3735% (0.23   0.02   0.02) =   5.361%  kept
          HN    ASP-  86 - HB3   SER   37  28.15 +/- 5.26   1.740% * 14.8290% (0.54   0.02   0.02) =   2.086%  kept
          HN    ASP-  86 - QB    SER   13  28.47 +/- 4.98   1.312% * 11.3477% (0.41   0.02   0.02) =   1.204%  kept
    Distance limit 3.96 A violated in 17 structures by 4.30 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.63, residual support = 218.4:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  75.553% * 91.8460% (0.92  10.0   6.63 221.17) =  98.596%  kept
          HN    SER   37 - HA    LYS+  38   4.07 +/- 0.04  12.255% *  8.0585% (0.25   1.0   6.50  21.07) =   1.403%  kept
          HN    LYS+  38 - HA    GLU- 100   8.82 +/- 5.19   7.256% *  0.0055% (0.06   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    LYS+  38  10.30 +/- 0.74   0.803% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   9.78 +/- 4.79   2.894% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  19.98 +/- 3.57   0.185% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  28.64 +/- 2.91   0.040% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.52 +/- 3.57   0.856% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.59 +/- 3.64   0.122% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.87 +/- 2.03   0.036% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.5, residual support = 30.4:
      O   HN    THR   39 - HA    LYS+  38   3.04 +/- 0.07  57.056% * 92.3065% (0.92  10.0   6.57  30.82) =  98.579%  kept
          HN    GLU-  36 - HA    LYS+  38   5.41 +/- 0.12  10.126% *  7.4608% (0.95   1.0   1.58   2.40) =   1.414%  kept
          HN    LYS+ 102 - HA    LYS+  38  11.94 +/- 4.98   2.315% *  0.0801% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   8.30 +/- 5.04  14.145% *  0.0056% (0.06   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    GLU- 100   5.61 +/- 0.62  10.411% *  0.0048% (0.05   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100  10.55 +/- 4.42   4.047% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  24.74 +/- 5.16   0.167% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  15.95 +/- 1.11   0.419% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.86 +/- 3.90   1.065% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  22.12 +/- 5.38   0.248% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.55, residual support = 21.1:
          HN    SER   37 - HB2   LYS+  38   4.62 +/- 0.16  96.379% * 99.2452% (1.00   5.55  21.07) =  99.992%  kept
          HN    ILE  119 - HB2   LYS+  38  22.11 +/- 4.17   1.540% *  0.2869% (0.80   0.02   0.02) =   0.005%
          HN    CYS   21 - HB2   LYS+  38  19.35 +/- 2.21   1.619% *  0.1222% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   LYS+  38  29.32 +/- 4.20   0.461% *  0.3457% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.76 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 5.44, residual support = 26.7:
          HN    THR   39 - HB2   LYS+  38   4.38 +/- 0.17  67.551% * 70.2409% (0.45   6.13  30.82) =  85.660%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.16 +/- 0.56  27.297% * 29.0094% (0.87   1.31   2.40) =  14.296%  kept
          HN    LYS+ 102 - HB2   LYS+  38  13.65 +/- 4.98   4.723% *  0.5009% (0.98   0.02   0.02) =   0.043%
          HD1   TRP   87 - HB2   LYS+  38  26.94 +/- 4.88   0.430% *  0.2488% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.81 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.75, support = 5.74, residual support = 197.2:
          HN    LYS+  38 - HG2   LYS+  38   3.43 +/- 0.35  66.566% * 71.6457% (0.80   5.85 221.17) =  88.015%  kept
          HN    SER   37 - HG2   LYS+  38   4.91 +/- 0.20  23.144% * 28.0371% (0.38   4.89  21.07) =  11.975%  kept
          HN    LYS+  38 - HG2   LYS+  99  10.15 +/- 3.77   5.944% *  0.0667% (0.22   0.02   0.02) =   0.007%
          HN    SER   37 - HG2   LYS+  99  11.11 +/- 3.48   3.686% *  0.0313% (0.10   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG2   LYS+  38  30.48 +/- 2.84   0.114% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  29.18 +/- 4.17   0.138% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  24.93 +/- 4.20   0.259% *  0.0185% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.47 +/- 2.36   0.148% *  0.0284% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.739, support = 5.81, residual support = 192.1:
          HN    LYS+  38 - HG3   LYS+  38   4.29 +/- 0.13  61.221% * 69.7411% (0.80   5.88 221.17) =  85.459%  kept
          HN    SER   37 - HG3   LYS+  38   5.87 +/- 0.18  24.176% * 30.0380% (0.38   5.40  21.07) =  14.535%  kept
          HN    LYS+  38 - HG3   LYS+  99  10.80 +/- 3.92   8.239% *  0.0248% (0.08   0.02   0.02) =   0.004%
          HN    SER   37 - HG3   LYS+  99  11.72 +/- 3.62   5.297% *  0.0116% (0.04   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   LYS+  38  30.70 +/- 2.89   0.189% *  0.1011% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  29.40 +/- 4.19   0.232% *  0.0660% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.10 +/- 4.29   0.404% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.57 +/- 1.91   0.242% *  0.0105% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.86, residual support = 37.1:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.04  77.122% * 94.8201% (0.97  10.0   3.86  37.27) =  99.092%  kept
          HN    LYS+ 102 - HA    ILE  103   5.12 +/- 0.25  13.983% *  4.7580% (0.24   1.0   4.04  23.47) =   0.902%  kept
          HN    GLU-  36 - HA    THR   39   8.42 +/- 0.36   3.112% *  0.0881% (0.90   1.0   0.02   0.85) =   0.004%
          HN    LYS+ 102 - HA    THR   39  12.33 +/- 4.27   1.597% *  0.0713% (0.73   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    ILE  103  13.45 +/- 2.75   0.991% *  0.0313% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  17.38 +/- 5.60   0.834% *  0.0318% (0.32   1.0   0.02   4.38) =   0.000%
          HN    TRP   27 - HA    THR   39  16.08 +/- 1.81   0.510% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.74 +/- 3.59   0.169% *  0.0963% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  16.36 +/- 2.54   0.530% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.49 +/- 3.75   0.804% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.80 +/- 2.11   0.101% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.44 +/- 2.39   0.248% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.2, residual support = 24.0:
      O   HN    LEU   40 - HA    THR   39   2.28 +/- 0.08  93.097% * 99.8247% (0.57  10.0   4.20  24.03) =  99.996%  kept
          HN    GLY  101 - HA    THR   39  10.52 +/- 4.31   1.668% *  0.1069% (0.61   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    ILE  103   6.54 +/- 0.57   4.296% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  11.62 +/- 2.95   0.939% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 3.81, residual support = 37.3:
      O   HN    THR   39 - HB    THR   39   2.76 +/- 0.50  91.340% * 99.6727% (0.97  10.0   3.81  37.27) =  99.992%  kept
          HN    GLU-  36 - HB    THR   39   7.60 +/- 0.91   4.824% *  0.0926% (0.90   1.0   0.02   0.85) =   0.005%
          HN    LYS+ 102 - HB    THR   39  12.61 +/- 3.79   2.288% *  0.0750% (0.73   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB    THR   39  14.47 +/- 2.53   1.172% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    THR   39  23.30 +/- 4.15   0.224% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  26.44 +/- 2.48   0.151% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 4.1, residual support = 24.0:
          HN    LEU   40 - HB    THR   39   3.86 +/- 0.61  85.466% * 99.9128% (0.98   4.10  24.03) =  99.985%  kept
          HN    GLY  101 - HB    THR   39  10.73 +/- 3.97  14.534% *  0.0872% (0.18   0.02   0.02) =   0.015%
    Distance limit 3.96 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.578, support = 0.137, residual support = 0.126:
          HN    LEU   71 - QG2   THR   39   5.28 +/- 2.79  39.410% * 45.2551% (0.60   0.15   0.14) =  89.412%  kept
          HN    PHE   60 - QG2   THR   39  14.88 +/- 1.83   8.465% *  2.9897% (0.30   0.02   0.02) =   1.269%  kept
          HN    THR  118 - QG2   THR   39  15.30 +/- 2.90   4.733% *  4.9621% (0.49   0.02   0.02) =   1.177%  kept
          HN    GLN  116 - QG2   THR   39  17.21 +/- 2.39   3.095% *  7.3208% (0.72   0.02   0.02) =   1.136%  kept
          HN    GLN  116 - QG2   THR   23  20.59 +/- 5.04   5.064% *  4.1080% (0.41   0.02   0.02) =   1.043%  kept
          HN    GLU- 114 - QB    ALA   91  13.91 +/- 2.06   4.578% *  4.0569% (0.40   0.02   0.02) =   0.931%  kept
          HN    GLU- 114 - QG2   THR   39  19.00 +/- 2.54   2.060% *  8.5911% (0.85   0.02   0.02) =   0.887%  kept
          HN    PHE   60 - QG2   THR   23  16.86 +/- 3.63   8.663% *  1.6776% (0.17   0.02   0.02) =   0.729%  kept
          HN    GLN  116 - QB    ALA   91  14.73 +/- 1.59   3.847% *  3.4570% (0.34   0.02   0.02) =   0.667%  kept
          HN    LEU   71 - QG2   THR   23  15.25 +/- 1.84   3.848% *  3.3784% (0.33   0.02   0.02) =   0.652%  kept
          HN    GLU- 114 - QG2   THR   23  21.81 +/- 4.76   2.607% *  4.8208% (0.48   0.02   0.02) =   0.630%  kept
          HN    THR  118 - QG2   THR   23  20.66 +/- 4.76   3.147% *  2.7845% (0.28   0.02   0.02) =   0.439%  kept
          HN    PHE   60 - QB    ALA   91  13.54 +/- 2.21   5.534% *  1.4118% (0.14   0.02   0.02) =   0.392%  kept
          HN    THR  118 - QB    ALA   91  15.96 +/- 1.48   2.776% *  2.3432% (0.23   0.02   0.02) =   0.326%  kept
          HN    LEU   71 - QB    ALA   91  18.97 +/- 1.99   2.173% *  2.8430% (0.28   0.02   0.02) =   0.310%  kept
    Distance limit 3.50 A violated in 10 structures by 1.68 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 = 4.0, residual support = 24.0:
          HN    LEU   40 - QG2   THR   39   3.06 +/- 0.70  98.605% * 99.4859% (0.66   4.00  24.03) =  99.996%  kept
          HN    LEU   40 - QG2   THR   23  16.90 +/- 2.08   0.889% *  0.2792% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  20.67 +/- 1.72   0.507% *  0.2349% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.592, support = 3.61, residual support = 15.8:
      O   HN    ALA   91 - QB    ALA   91   2.39 +/- 0.19  50.822% * 88.2017% (0.61  10.0   3.61  14.47) =  93.959%  kept
          HN    THR   39 - QG2   THR   39   3.12 +/- 0.56  27.447% * 10.2572% (0.38   1.0   3.73  37.27) =   5.901%  kept
          HN    TRP   27 - QG2   THR   23   4.85 +/- 0.89   9.203% *  0.6735% (0.10   1.0   0.95   1.16) =   0.130%  kept
          HD1   TRP   87 - QB    ALA   91   8.48 +/- 1.12   1.296% *  0.1111% (0.76   1.0   0.02   0.02) =   0.003%
          HE3   TRP   87 - QB    ALA   91   9.60 +/- 2.34   2.412% *  0.0363% (0.25   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   THR   39   7.14 +/- 0.87   2.082% *  0.0258% (0.18   1.0   0.02   0.85) =   0.001%
          HN    ALA   61 - QB    ALA   91  13.94 +/- 2.72   0.390% *  0.0765% (0.53   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QG2   THR   39  12.45 +/- 1.98   0.463% *  0.0634% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QG2   THR   39  10.79 +/- 3.61   1.816% *  0.0153% (0.11   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA   91  17.85 +/- 2.61   0.162% *  0.1342% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.24 +/- 2.06   0.462% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.66 +/- 1.58   0.064% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  19.51 +/- 2.98   0.130% *  0.0525% (0.36   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  18.33 +/- 5.81   1.241% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  15.77 +/- 3.45   0.519% *  0.0080% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  16.84 +/- 5.74   0.354% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.40 +/- 2.29   0.095% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.99 +/- 1.87   0.073% *  0.0417% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.57 +/- 2.13   0.053% *  0.0546% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  19.03 +/- 3.56   0.146% *  0.0171% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.41 +/- 1.76   0.191% *  0.0122% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  18.66 +/- 3.27   0.154% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.61 +/- 1.31   0.210% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.37 +/- 3.71   0.213% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 3.66, residual support = 14.6:
          HN    MET   92 - QB    ALA   91   2.86 +/- 0.64  74.556% * 97.0759% (0.87   3.66  14.64) =  99.897%  kept
          HN    THR   46 - QB    ALA   91   6.99 +/- 0.80   8.593% *  0.5992% (0.98   0.02   0.02) =   0.071%
          HN    LYS+  74 - QB    ALA   91  13.84 +/- 1.61   1.211% *  0.5303% (0.87   0.02   0.02) =   0.009%
          HN    LYS+  74 - QG2   THR   39  11.12 +/- 1.84   1.844% *  0.2504% (0.41   0.02   0.02) =   0.006%
          HN    LYS+ 112 - QB    ALA   91  12.51 +/- 2.52   1.889% *  0.2085% (0.34   0.02   0.02) =   0.005%
          HN    LYS+  74 - QG2   THR   23  10.00 +/- 2.93   3.423% *  0.0558% (0.09   0.02   0.02) =   0.003%
          HN    MET   11 - QG2   THR   23  16.02 +/- 5.79   4.935% *  0.0338% (0.06   0.02   0.02) =   0.002%
          HN    THR   46 - QG2   THR   39  16.81 +/- 1.08   0.489% *  0.2830% (0.46   0.02   0.02) =   0.002%
          HN    MET   11 - QG2   THR   39  17.34 +/- 3.74   0.573% *  0.1519% (0.25   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   39  21.01 +/- 1.27   0.288% *  0.2504% (0.41   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  14.27 +/- 2.55   0.896% *  0.0630% (0.10   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  29.38 +/- 4.02   0.105% *  0.3216% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  20.63 +/- 2.03   0.313% *  0.0985% (0.16   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  18.90 +/- 2.67   0.500% *  0.0558% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  21.96 +/- 4.65   0.385% *  0.0219% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.661, support = 5.06, residual support = 76.1:
          HA    LEU   40 - QD2   LEU   40   2.45 +/- 0.57  55.949% * 63.0067% (0.61   6.03 101.88) =  71.983%  kept
          HA    LYS+  99 - QD2   LEU   40   4.56 +/- 3.70  38.702% * 35.4152% (0.80   2.57   9.75) =  27.988%  kept
          HA    ASN   35 - QD2   LEU   40   8.34 +/- 1.28   1.792% *  0.3181% (0.92   0.02   0.02) =   0.012%
          HA    LEU  123 - QD2   LEU   40  12.36 +/- 4.48   1.342% *  0.3416% (0.99   0.02   0.02) =   0.009%
          HA    ILE   56 - QD2   LEU   40  16.09 +/- 2.59   0.332% *  0.3260% (0.95   0.02   0.02) =   0.002%
          HA    GLU-  15 - QD2   LEU   40  12.48 +/- 2.36   0.599% *  0.1417% (0.41   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD2   LEU   40  15.33 +/- 3.38   0.482% *  0.1545% (0.45   0.02   0.02) =   0.002%
          HA    PRO   58 - QD2   LEU   40  14.23 +/- 1.97   0.386% *  0.1545% (0.45   0.02   0.02) =   0.001%
          HA    SER   13 - QD2   LEU   40  15.86 +/- 3.34   0.417% *  0.1417% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.03 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 = 0.98, support = 4.46, residual support = 100.1:
          HA    LEU   40 - QD1   LEU   40   3.51 +/- 0.51  52.596% * 90.4145% (0.99   4.54 101.88) =  98.150%  kept
          HA    LYS+  99 - QD1   LEU   40   6.25 +/- 2.92  20.815% *  2.7692% (0.31   0.45   9.75) =   1.190%  kept
          HA    LEU  123 - QD1   LEU   40  11.35 +/- 4.41   6.068% *  3.8465% (0.61   0.32   0.02) =   0.482%  kept
          HA    SER   37 - QD1   LEU   40   9.92 +/- 1.30   4.015% *  1.2265% (0.31   0.20   0.70) =   0.102%  kept
          HA    ASN   35 - QD1   LEU   40   9.07 +/- 1.54   5.610% *  0.1803% (0.45   0.02   0.02) =   0.021%
          HA    GLU-  15 - QD1   LEU   40  11.69 +/- 2.95   2.529% *  0.3606% (0.90   0.02   0.02) =   0.019%
          HA    PRO   58 - QD1   LEU   40  12.86 +/- 2.15   1.492% *  0.3712% (0.92   0.02   0.02) =   0.011%
          HA    GLN   17 - QD1   LEU   40  11.32 +/- 3.61   3.936% *  0.1241% (0.31   0.02   0.02) =   0.010%
          HA    SER   13 - QD1   LEU   40  15.13 +/- 3.36   1.289% *  0.3606% (0.90   0.02   0.02) =   0.010%
          HA    ILE   56 - QD1   LEU   40  15.14 +/- 2.62   0.881% *  0.1957% (0.49   0.02   0.02) =   0.004%
          HA    THR   46 - QD1   LEU   40  14.79 +/- 1.15   0.769% *  0.1509% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.673, support = 0.345, residual support = 0.323:
        T HB3   HIS  122 - QD1   LEU   40   8.91 +/- 4.39  35.891% * 94.7497% (0.69 10.00   0.35   0.33) =  96.124%  kept
          QE    LYS+ 121 - QD1   LEU   40   9.41 +/- 4.23  30.497% *  4.2758% (0.34  1.00   0.32   0.02) =   3.686%  kept
          QE    LYS+  74 - QD1   LEU   40  10.38 +/- 1.76  23.864% *  0.1392% (0.18  1.00   0.02   0.02) =   0.094%
          HB3   ASP-  78 - QD1   LEU   40  18.17 +/- 1.29   3.733% *  0.7127% (0.90  1.00   0.02   0.02) =   0.075%
          QB    CYS   50 - QD1   LEU   40  16.08 +/- 1.90   6.015% *  0.1226% (0.15  1.00   0.02   0.02) =   0.021%
    Distance limit 3.87 A violated in 11 structures by 3.45 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 = 0.908, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD1   LEU   40   8.91 +/- 2.23  41.060% * 23.0961% (0.84   0.02   0.02) =  38.050%  kept
          HE21  GLN   30 - QD1   LEU   40   9.48 +/- 2.11  33.646% * 27.6510% (1.00   0.02   0.02) =  37.328%  kept
          HD1   TRP   27 - QD1   LEU   40  12.95 +/- 2.58  15.679% * 23.0961% (0.84   0.02   0.02) =  14.530%  kept
          HH2   TRP   49 - QD1   LEU   40  19.90 +/- 4.09   9.616% * 26.1568% (0.95   0.02   0.02) =  10.092%  kept
    Distance limit 3.90 A violated in 19 structures by 3.38 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.911, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.80 +/- 2.28  35.377% * 27.6510% (1.00   0.02   0.02) =  39.137%  kept
          QD    PHE   59 - QD2   LEU   40   9.81 +/- 2.14  37.867% * 23.0961% (0.84   0.02   0.02) =  34.991%  kept
          HD1   TRP   27 - QD2   LEU   40  12.93 +/- 2.34  17.382% * 23.0961% (0.84   0.02   0.02) =  16.062%  kept
          HH2   TRP   49 - QD2   LEU   40  20.35 +/- 3.89   9.374% * 26.1568% (0.95   0.02   0.02) =   9.810%  kept
    Distance limit 3.71 A violated in 19 structures by 4.27 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.65, residual support = 20.7:
          HN    VAL   41 - QD2   LEU   40   2.70 +/- 0.71 100.000% *100.0000% (0.73   4.65  20.73) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.67, residual support = 9.44:
          HN    LEU   98 - QD2   LEU   40   4.62 +/- 2.89 100.000% *100.0000% (0.97   4.67   9.44) = 100.000%  kept
    Distance limit 3.67 A violated in 5 structures by 1.43 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.83, residual support = 101.9:
      O   HN    LEU   40 - HB3   LEU   40   2.63 +/- 0.46  96.034% * 99.9683% (0.98  10.0   4.83 101.88) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40  10.55 +/- 3.99   2.780% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  16.38 +/- 3.11   0.866% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.02 +/- 1.89   0.320% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.94, residual support = 101.9:
      O   HN    LEU   40 - HB2   LEU   40   2.63 +/- 0.43  92.245% * 99.9908% (0.76  10.0   4.94 101.88) =  99.999%  kept
          HN    LEU   40 - HB2   LEU   67   9.03 +/- 2.17   7.755% *  0.0092% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 3.98, residual support = 35.7:
          QG2   VAL   70 - HB2   LEU   40   4.42 +/- 1.94  47.981% * 99.9538% (0.80   3.99  35.75) =  99.950%  kept
          QG2   VAL   70 - HB2   LEU   67   3.96 +/- 1.53  52.019% *  0.0462% (0.07   0.02   0.27) =   0.050%
    Distance limit 3.65 A violated in 4 structures by 1.05 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.7:
        T QG2   VAL   70 - HB3   LEU   40   3.96 +/- 2.07  78.323% * 99.8828% (0.98 10.00   3.99  35.75) =  99.968%  kept
        T QG2   VAL   70 - HB3   LEU  115  10.32 +/- 2.70  21.677% *  0.1172% (0.12 10.00   0.02   0.02) =   0.032%
    Distance limit 3.80 A violated in 3 structures by 0.69 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.231, support = 4.88, residual support = 91.3:
      O T HA    LEU   40 - HG    LEU   40   3.34 +/- 0.50  40.568% * 65.5987% (0.18  10.0 10.00   5.38 101.88) =  89.073%  kept
          HA    ASP- 113 - HG    LEU  115   5.78 +/- 1.41  13.687% * 10.0577% (0.53   1.0  1.00   1.00   0.02) =   4.608%  kept
          HA    LYS+  99 - HG    LEU   40   6.92 +/- 4.40  11.512% * 10.4640% (0.98   1.0  1.00   0.57   9.75) =   4.032%  kept
          HA    ILE   56 - HG    LEU  115   6.98 +/- 2.17   9.152% *  5.2170% (0.50   1.0  1.00   0.55   0.15) =   1.598%  kept
          HA    PHE   59 - HG    LEU  115   6.84 +/- 1.51  11.421% *  1.1700% (0.20   1.0  1.00   0.32  29.39) =   0.447%  kept
        T HA    ASN   35 - HG    LEU   40  10.65 +/- 1.05   1.493% *  3.3593% (0.90   1.0 10.00   0.02   0.02) =   0.168%  kept
          HA    LEU  123 - HG    LEU   40  14.13 +/- 5.04   1.910% *  0.2863% (0.76   1.0  1.00   0.02   0.02) =   0.018%
        T HA    ASN   35 - HG    LEU  115  23.62 +/- 3.52   0.217% *  1.9449% (0.52   1.0 10.00   0.02   0.02) =   0.014%
        T HA    LEU   40 - HG    LEU  115  16.94 +/- 2.84   0.862% *  0.3798% (0.10   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASP- 113 - HG    LEU   40  18.21 +/- 3.58   0.743% *  0.3458% (0.92   1.0  1.00   0.02   0.02) =   0.009%
          HA    PHE   59 - HG    LEU   40  13.05 +/- 2.24   1.006% *  0.1278% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   40  18.51 +/- 2.84   0.367% *  0.3249% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG    LEU  115  14.32 +/- 1.31   0.568% *  0.1657% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HG    LEU   73  18.05 +/- 4.28   1.171% *  0.0606% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  115  18.47 +/- 1.34   0.277% *  0.2126% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU   73  14.10 +/- 2.40   0.820% *  0.0685% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU   73  20.68 +/- 4.63   0.655% *  0.0645% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU   73  14.54 +/- 2.34   0.585% *  0.0626% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HG    LEU   73  14.89 +/- 2.97   1.138% *  0.0238% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  21.02 +/- 3.87   0.357% *  0.0534% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  11.88 +/- 2.08   1.492% *  0.0122% (0.03   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 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 = 0.963, support = 6.25, residual support = 35.0:
        T QG2   VAL   70 - HG    LEU   40   3.38 +/- 1.83  74.007% * 83.8767% (0.98 10.00   6.34  35.75) =  97.745%  kept
        T QG2   VAL   70 - HG    LEU   73   8.05 +/- 1.01   8.618% * 15.6376% (0.18 10.00   2.34   0.71) =   2.122%  kept
        T QG2   VAL   70 - HG    LEU  115  11.36 +/- 2.92  17.375% *  0.4856% (0.57 10.00   0.02   0.02) =   0.133%  kept
    Distance limit 3.54 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.15, residual support = 35.8:
          QG2   VAL   70 - QD1   LEU   40   2.93 +/- 1.31 100.000% *100.0000% (0.80   4.15  35.75) = 100.000%  kept
    Distance limit 2.99 A violated in 1 structures by 0.46 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.42, residual support = 35.8:
          QG2   VAL   70 - QD2   LEU   40   3.84 +/- 1.09 100.000% *100.0000% (0.53   4.42  35.75) = 100.000%  kept
    Distance limit 3.31 A violated in 3 structures by 0.67 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   9.61 +/- 2.18 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.68 A violated in 19 structures by 6.94 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.734, support = 4.67, residual support = 101.8:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  61.330% * 41.4375% (0.65  10.0 10.00   4.11 101.88) =  64.827%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.98 +/- 0.30  23.976% * 57.4464% (0.90  10.0  1.00   5.70 101.88) =  35.133%  kept
        T HG    LEU  115 - QD2   LEU   40  12.65 +/- 2.81   1.013% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   LYS+  74 - QD2   LEU   40  11.94 +/- 2.49   1.400% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.006%
        T HG    LEU   73 - QD2   LEU   40  10.49 +/- 2.06   1.518% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QD2   LEU   40  10.56 +/- 3.27   2.674% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU  115 - QD2   LEU   40  11.28 +/- 2.91   3.773% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   67 - QD2   LEU   40   8.45 +/- 2.13   1.959% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QD2   LEU   40  10.32 +/- 3.91   2.356% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.67 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 = 0.26, support = 2.2, residual support = 9.71:
        T HB2   LYS+  99 - QD2   LEU   40   4.91 +/- 3.58  42.369% * 55.8136% (0.28 10.00   2.35   9.75) =  65.997%  kept
        T HB3   LYS+  99 - QD2   LEU   40   5.52 +/- 3.42  27.944% * 43.1565% (0.22 10.00   1.93   9.75) =  33.656%  kept
          HB    VAL   43 - QD2   LEU   40   8.80 +/- 1.39  14.392% *  0.8152% (0.38  1.00   0.22   0.02) =   0.327%  kept
          QG1   ILE   56 - QD2   LEU   40  12.54 +/- 2.06  11.904% *  0.0310% (0.15  1.00   0.02   0.02) =   0.010%
          HB    ILE   89 - QD2   LEU   40  18.39 +/- 3.24   2.109% *  0.1218% (0.61  1.00   0.02   0.02) =   0.007%
          QD    LYS+  81 - QD2   LEU   40  20.32 +/- 2.26   1.282% *  0.0620% (0.31  1.00   0.02   0.02) =   0.002%
    Distance limit 3.13 A violated in 5 structures by 1.26 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.384, support = 0.02, residual support = 0.144:
          HB2   HIS  122 - QD2   LEU   40   9.64 +/- 4.88  40.738% * 19.5836% (0.31   0.02   0.33) =  39.342%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.57 +/- 2.77  17.425% * 35.9222% (0.57   0.02   0.02) =  30.867%  kept
          HA    LEU   63 - QD2   LEU   40   9.17 +/- 1.51  35.587% * 11.1120% (0.18   0.02   0.02) =  19.501%  kept
          HB2   HIS   22 - QD2   LEU   40  17.31 +/- 2.78   6.251% * 33.3822% (0.53   0.02   0.02) =  10.290%  kept
    Distance limit 3.66 A violated in 17 structures by 3.54 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.704, support = 2.98, residual support = 9.11:
          QE    LYS+  99 - QD2   LEU   40   4.71 +/- 3.47  61.678% * 82.7809% (0.69   3.17   9.75) =  92.975%  kept
          QE    LYS+  38 - QD2   LEU   40   7.66 +/- 1.68  22.717% * 16.4594% (0.92   0.47   0.72) =   6.809%  kept
          QE    LYS+ 102 - QD2   LEU   40   9.98 +/- 3.41  15.604% *  0.7596% (1.00   0.02   0.02) =   0.216%  kept
    Distance limit 4.10 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.843, support = 1.15, residual support = 1.29:
        T HB3   PHE   97 - QD2   LEU   40   6.27 +/- 2.47  40.159% * 91.1367% (0.84 10.00   1.16   1.37) =  94.127%  kept
          HB2   GLU- 100 - QD2   LEU   40   8.00 +/- 3.83  26.619% *  8.4295% (0.99  1.00   0.91   0.02) =   5.771%  kept
          HB2   GLN  116 - QD2   LEU   40  14.35 +/- 3.06  14.588% *  0.1777% (0.95  1.00   0.02   0.02) =   0.067%
          QG    GLN   32 - QD2   LEU   40  11.37 +/- 1.71  12.063% *  0.0641% (0.34  1.00   0.02   0.02) =   0.020%
          QG    GLU-  79 - QD2   LEU   40  15.51 +/- 2.44   2.812% *  0.1215% (0.65  1.00   0.02   0.02) =   0.009%
          HB2   PRO   58 - QD2   LEU   40  14.68 +/- 2.22   3.760% *  0.0705% (0.38  1.00   0.02   0.02) =   0.007%
    Distance limit 4.37 A violated in 5 structures by 1.26 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.38, residual support = 101.8:
      O T HB2   LEU   40 - QD1   LEU   40   2.72 +/- 0.40  80.951% * 99.2435% (0.84  10.0 10.00   4.39 101.88) =  99.923%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.43 +/- 1.60  11.732% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.071%
          HB    VAL   18 - QD1   LEU   40  11.00 +/- 3.40   2.708% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   MET   96 - QD1   LEU   40   9.41 +/- 1.56   3.309% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD1   LEU   40  18.40 +/- 2.80   0.400% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD1   LEU   40  14.31 +/- 3.37   0.901% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 5.43, residual support = 101.7:
      O   HB2   LEU   40 - QD2   LEU   40   2.50 +/- 0.39  87.430% * 96.6350% (0.34  10.0  1.00   5.44 101.88) =  99.841%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.78 +/- 1.69   4.727% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.142%  kept
          HB2   LEU  115 - QD2   LEU   40  12.14 +/- 3.05   5.443% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.010%
          HB    VAL   18 - QD2   LEU   40  11.96 +/- 2.58   1.638% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ARG+  54 - QD2   LEU   40  19.35 +/- 2.76   0.316% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QD2   LEU   40  16.14 +/- 1.97   0.446% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 0.776, support = 3.93, residual support = 101.8:
      O T HB3   LEU   40 - QD1   LEU   40   2.35 +/- 0.35  39.647% * 57.4671% (0.90  10.0 10.00   3.59 101.88) =  51.976%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  50.724% * 41.4524% (0.65  10.0  1.00   4.30 101.88) =  47.965%  kept
        T HG    LEU   67 - QD1   LEU   40   7.18 +/- 1.89   2.733% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.031%
        T HB3   LEU  115 - QD1   LEU   40  10.69 +/- 2.84   2.661% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.025%
          QB    ALA  120 - QD1   LEU   40  10.08 +/- 2.90   1.064% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - QD1   LEU   40  11.95 +/- 2.73   0.774% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40  10.05 +/- 2.32   1.153% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  10.96 +/- 2.09   0.634% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  12.04 +/- 3.27   0.611% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.936, support = 4.38, residual support = 99.0:
      O T QD1   LEU   40 - HB2   LEU   40   2.72 +/- 0.40  46.386% * 92.1745% (1.00  10.0 10.00   4.39 101.88) =  93.067%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.86 +/- 0.40  41.669% *  7.6201% (0.08  10.0  1.00   4.26  60.34) =   6.912%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.43 +/- 1.60   6.316% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.012%
          QD2   LEU   67 - HB2   LEU   40   7.86 +/- 2.18   5.162% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL  108 - HB2   LEU   40  17.40 +/- 1.18   0.212% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.35 +/- 2.22   0.254% *  0.0032% (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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 101.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.35 +/- 0.35  78.186% * 99.7412% (1.00  10.0 10.00   3.59 101.88) =  99.980%  kept
          QD2   LEU   67 - HB3   LEU   40   7.49 +/- 2.15  10.088% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.012%
        T QD1   LEU   40 - HB3   LEU  115  10.69 +/- 2.84   5.297% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   67 - HB3   LEU  115  11.67 +/- 3.19   4.743% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU   40  17.14 +/- 1.13   0.266% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.63 +/- 1.44   1.421% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.862, support = 4.08, residual support = 101.0:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  52.501% * 88.1562% (0.87  10.0 10.00   4.11 101.88) =  99.096%  kept
          QD1   ILE  119 - HG    LEU  115   4.48 +/- 1.36  15.819% *  1.1721% (0.10   1.0  1.00   2.27   9.71) =   0.397%  kept
        T QD1   LEU   67 - HG    LEU   40   6.58 +/- 2.18  11.455% *  0.8489% (0.84   1.0 10.00   0.02   0.02) =   0.208%  kept
          QD2   LEU   71 - HG    LEU   40   6.86 +/- 2.75   6.037% *  1.0776% (0.18   1.0  1.00   1.21   1.50) =   0.139%  kept
        T QD1   LEU   67 - HG    LEU   73   8.92 +/- 1.28   0.887% *  6.2736% (0.16   1.0 10.00   0.79   0.02) =   0.119%  kept
        T HG3   LYS+  74 - HG    LEU   40  13.99 +/- 2.94   0.807% *  0.6164% (0.61   1.0 10.00   0.02   0.02) =   0.011%
        T QD2   LEU   40 - HG    LEU  115  12.65 +/- 2.81   0.887% *  0.5104% (0.50   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU   67 - HG    LEU  115  11.79 +/- 2.86   0.788% *  0.4915% (0.48   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   40 - HG    LEU   73  10.49 +/- 2.06   1.385% *  0.1644% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  74 - HG    LEU  115  14.12 +/- 3.14   0.281% *  0.3569% (0.35   1.0 10.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HG    LEU   40   9.84 +/- 2.58   1.335% *  0.0738% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - HG    LEU   40  12.33 +/- 1.35   0.304% *  0.0882% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU  115  13.43 +/- 2.42   0.476% *  0.0510% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   8.07 +/- 1.02   1.100% *  0.0164% (0.16   1.0  1.00   0.02   1.50) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.50 +/- 2.35   0.847% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.31 +/- 1.63   0.243% *  0.0427% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.85 +/- 0.78   0.746% *  0.0115% (0.11   1.0  1.00   0.02  42.01) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.05 +/- 3.33   1.727% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  13.49 +/- 2.74   0.397% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.51 +/- 1.36   1.579% *  0.0033% (0.03   1.0  1.00   0.02   1.05) =   0.000%
          QD2   LEU   71 - HG    LEU  115  14.44 +/- 3.79   0.398% *  0.0103% (0.10   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.9, residual support = 75.3:
      O T QG2   VAL   41 - QG1   VAL   41   2.04 +/- 0.06  55.997% * 93.4475% (0.87  10.0 10.00   3.94  75.96) =  98.733%  kept
          QD2   LEU   98 - QG1   VAL   41   4.30 +/- 2.11  15.368% *  4.1370% (0.69   1.0  1.00   1.12  25.77) =   1.200%  kept
        T QD1   LEU   73 - QG1   VAL   41   7.06 +/- 1.99   2.182% *  0.3325% (0.31   1.0 10.00   0.02   0.02) =   0.014%
        T QG2   VAL   41 - QG2   VAL   18   9.36 +/- 2.46   0.907% *  0.7142% (0.66   1.0 10.00   0.02   0.02) =   0.012%
        T QD2   LEU   98 - QD2   LEU  104   5.16 +/- 1.29  11.233% *  0.0397% (0.04   1.0 10.00   0.02  10.15) =   0.008%
        T QD1   LEU   73 - QG2   VAL   18   7.94 +/- 2.99   1.708% *  0.2541% (0.24   1.0 10.00   0.02   0.23) =   0.008%
        T QD1   LEU   63 - QG2   VAL   18   7.97 +/- 2.00   1.552% *  0.2541% (0.24   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - QG1   VAL   41   8.47 +/- 1.50   1.049% *  0.3325% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T QG2   VAL   41 - QD2   LEU  104   6.93 +/- 1.67   4.084% *  0.0502% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QG1   VAL   41   8.28 +/- 1.51   1.300% *  0.0966% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QG2   VAL   18   8.16 +/- 2.37   1.508% *  0.0738% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - QG1   VAL   41  13.60 +/- 4.44   0.519% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG2   VAL   18  14.13 +/- 6.10   0.385% *  0.0566% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  12.13 +/- 2.46   0.371% *  0.0566% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.66 +/- 2.50   0.580% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.65 +/- 4.66   0.196% *  0.0397% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.69 +/- 1.81   0.416% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104  10.50 +/- 2.59   0.644% *  0.0052% (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 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.191, support = 1.33, residual support = 6.75:
          QB    ALA   34 - QG2   VAL   41   4.02 +/- 1.90  55.826% * 51.1396% (0.18   1.49   7.84) =  86.054%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.70 +/- 1.99  23.730% * 15.4047% (0.20   0.40   0.02) =  11.019%  kept
          QB    ALA   88 - QG2   VAL   41  15.50 +/- 2.87   2.178% * 26.8859% (0.61   0.23   0.02) =   1.765%  kept
          QG2   THR   77 - QG2   VAL   41  10.73 +/- 1.43   5.502% *  3.7162% (0.95   0.02   0.02) =   0.616%  kept
          QG2   THR   23 - QG2   VAL   41  11.22 +/- 2.61   6.253% *  1.7613% (0.45   0.02   0.02) =   0.332%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.30 +/- 1.15   6.510% *  1.0923% (0.28   0.02   0.02) =   0.214%  kept
    Distance limit 3.30 A violated in 4 structures by 0.66 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.61, residual support = 25.7:
        T QB    LEU   98 - QG2   VAL   41   4.23 +/- 2.12  38.918% * 95.3641% (0.34 10.00   2.63  25.77) =  99.555%  kept
          HG12  ILE   19 - QG2   VAL   41   8.28 +/- 3.64  14.466% *  0.2790% (1.00  1.00   0.02   0.02) =   0.108%  kept
          HB3   LYS+  74 - QG2   VAL   41   9.70 +/- 1.88   5.834% *  0.6403% (0.61  1.00   0.08   0.02) =   0.100%  kept
        T HB2   LEU   80 - QG2   VAL   41  13.83 +/- 3.80   1.523% *  2.2386% (0.80 10.00   0.02   0.02) =   0.091%
          QB    ALA   61 - QG2   VAL   41  10.74 +/- 1.97   6.916% *  0.2335% (0.84  1.00   0.02   0.11) =   0.043%
          HG    LEU   73 - QG2   VAL   41   7.27 +/- 2.39  17.509% *  0.0863% (0.31  1.00   0.02   0.02) =   0.041%
          HB3   LEU   67 - QG2   VAL   41   9.35 +/- 1.74   3.568% *  0.1920% (0.69  1.00   0.02   0.02) =   0.018%
          QG    LYS+  66 - QG2   VAL   41  11.60 +/- 2.81   3.965% *  0.1361% (0.49  1.00   0.02   0.02) =   0.014%
          HG    LEU   80 - QG2   VAL   41  14.05 +/- 4.52   1.608% *  0.2698% (0.97  1.00   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - QG2   VAL   41  13.48 +/- 3.79   1.178% *  0.1809% (0.65  1.00   0.02   0.02) =   0.006%
          QB    ALA  110 - QG2   VAL   41  14.42 +/- 1.26   0.660% *  0.2740% (0.98  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - QG2   VAL   41  10.02 +/- 2.81   2.449% *  0.0622% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  14.14 +/- 2.88   1.407% *  0.0431% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 1 structures by 0.45 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  11.31 +/- 1.23 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.10 A violated in 20 structures by 8.21 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.69, residual support = 76.0:
      O   HN    VAL   41 - HB    VAL   41   3.31 +/- 0.39 100.000% *100.0000% (0.47  10.0   4.69  75.96) = 100.000%  kept
    Distance limit 3.56 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 = 0.952, support = 2.78, residual support = 25.3:
          HN    LEU   98 - QG1   VAL   41   5.20 +/- 1.81  47.261% * 96.6525% (0.98   2.82  25.77) =  96.950%  kept
          HN    LEU   98 - QD2   LEU  104   4.73 +/- 1.10  50.485% *  2.8229% (0.05   1.53  10.15) =   3.025%  kept
          HN    LEU   98 - QG2   VAL   18  13.18 +/- 2.31   2.254% *  0.5246% (0.75   0.02   0.02) =   0.025%
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.551, support = 0.02, residual support = 0.135:
          QD    PHE   60 - HB    VAL   41  11.67 +/- 2.02  31.500% * 34.1212% (0.66   0.02   0.29) =  43.107%  kept
          HN    LYS+  66 - HB    VAL   41  13.13 +/- 3.60  27.442% * 29.5320% (0.57   0.02   0.02) =  32.503%  kept
          QE    PHE   59 - HB    VAL   41  11.75 +/- 2.73  31.815% * 12.0603% (0.23   0.02   0.02) =  15.388%  kept
          HN    LYS+  81 - HB    VAL   41  20.12 +/- 4.04   9.242% * 24.2865% (0.47   0.02   0.02) =   9.002%  kept
    Distance limit 3.79 A violated in 18 structures by 5.47 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 28.9:
      O   HN    VAL   42 - HA    VAL   41   2.30 +/- 0.11  89.201% * 99.2228% (0.98  10.0   5.29  28.96) =  99.936%  kept
          HN    LEU   73 - HA    VAL   41   7.14 +/- 2.62   8.003% *  0.6846% (0.98   1.0   0.14   0.02) =   0.062%
          HN    ILE   19 - HA    VAL   41   9.79 +/- 3.69   2.295% *  0.0614% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  13.50 +/- 0.97   0.500% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.02, residual support = 39.9:
      O   HN    VAL   43 - HA    VAL   42   2.22 +/- 0.03  99.816% * 99.9765% (0.90  10.0   5.02  39.86) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.51 +/- 1.45   0.184% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.646, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   4.77 +/- 2.78  69.490% * 16.0745% (0.34   0.02   0.02) =  46.328%  kept
          QD1   ILE   89 - QG2   VAL   41  11.87 +/- 2.65  16.889% * 46.1912% (0.98   0.02   0.02) =  32.355%  kept
          QG2   VAL   83 - QG2   VAL   41  11.13 +/- 3.28  13.621% * 37.7342% (0.80   0.02   0.02) =  21.317%  kept
    Distance limit 3.08 A violated in 8 structures by 1.74 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 = 0.833, support = 4.12, residual support = 28.8:
        T HB    VAL   41 - HB    VAL   42   5.40 +/- 0.72  28.115% * 96.6073% (0.84 10.00   4.15  28.96) =  99.325%  kept
          HB2   LEU   71 - HB    VAL   42   8.56 +/- 2.92  15.265% *  0.8084% (0.42  1.00   0.33   0.89) =   0.451%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.50 +/- 2.36   3.269% *  0.6476% (0.56 10.00   0.02   0.02) =   0.077%
          HG2   PRO   93 - HB2   LYS+ 112   8.39 +/- 2.44  11.229% *  0.0613% (0.53  1.00   0.02   0.02) =   0.025%
          QB    LYS+  66 - HB    VAL   42   9.55 +/- 2.61   6.833% *  0.0999% (0.87  1.00   0.02   0.02) =   0.025%
          HG12  ILE  103 - HB    VAL   42   9.17 +/- 2.10   7.020% *  0.0868% (0.75  1.00   0.02   0.02) =   0.022%
          QB    LYS+  65 - HB    VAL   42   9.88 +/- 2.62   8.844% *  0.0527% (0.46  1.00   0.02   0.02) =   0.017%
        T HB    VAL   41 - HB2   LYS+ 112  19.72 +/- 2.85   0.677% *  0.6818% (0.59 10.00   0.02   0.02) =   0.017%
          HB3   PRO   52 - HB2   LYS+ 112  10.95 +/- 4.62   7.905% *  0.0428% (0.37  1.00   0.02   0.02) =   0.012%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.43 +/- 1.21   0.351% *  0.4570% (0.40 10.00   0.02   0.02) =   0.006%
          HG2   PRO   93 - HB    VAL   42  14.37 +/- 1.69   1.755% *  0.0868% (0.75  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HB2   LYS+ 112  14.86 +/- 2.13   1.481% *  0.0705% (0.61  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB    VAL   42  14.55 +/- 2.71   1.709% *  0.0607% (0.53  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB2   LYS+ 112  14.94 +/- 2.83   2.173% *  0.0428% (0.37  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   LYS+ 112  14.78 +/- 2.02   1.800% *  0.0372% (0.32  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HB2   LYS+ 112  19.57 +/- 1.59   0.522% *  0.0613% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB    VAL   42  19.96 +/- 2.02   0.489% *  0.0607% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   LYS+ 112  21.43 +/- 4.52   0.563% *  0.0344% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 13 structures by 1.46 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.12, residual support = 84.5:
          HN    VAL   42 - QG2   VAL   42   2.99 +/- 0.60  70.794% * 80.0383% (0.64   5.38  90.28) =  93.629%  kept
          HN    LEU   73 - QG2   VAL   42   6.81 +/- 2.79  19.570% * 19.5989% (0.64   1.32   0.19) =   6.338%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.93 +/- 1.76   6.047% *  0.2977% (0.64   0.02   0.02) =   0.030%
          HN    ILE   19 - QG2   VAL   42   9.45 +/- 2.73   3.589% *  0.0651% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.42 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.1, residual support = 39.9:
          HN    VAL   43 - QG2   VAL   42   3.76 +/- 0.32 100.000% *100.0000% (0.72   5.10  39.86) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.955, support = 3.97, residual support = 88.8:
      O T HA    VAL   42 - QG1   VAL   42   2.59 +/- 0.31  58.225% * 91.4898% (0.97  10.0 10.00   4.00  90.28) =  98.119%  kept
          HA    THR   46 - QB    ALA   47   3.93 +/- 0.17  18.253% *  5.4578% (0.44   1.0  1.00   2.63  12.12) =   1.835%  kept
        T HA    GLN   17 - QG1   VAL   42  11.92 +/- 3.24   1.199% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.012%
        T HA    PHE   55 - QB    ALA   47  10.32 +/- 1.41   1.116% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.009%
          HA    GLN   90 - QB    ALA   47   6.70 +/- 1.97  14.677% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.008%
        T HA    VAL   42 - QB    ALA   47  14.25 +/- 1.11   0.394% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.006%
        T HA    PHE   55 - QG1   VAL   42  13.80 +/- 1.48   0.492% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   17 - QB    ALA   47  19.41 +/- 4.23   0.328% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR   46 - QG1   VAL   42   9.64 +/- 0.74   1.330% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  10.63 +/- 3.57   2.309% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  14.07 +/- 1.04   0.477% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.15 +/- 2.39   0.786% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.26 +/- 1.63   0.346% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.57 +/- 1.42   0.068% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.881, support = 1.71, residual support = 4.17:
          QD    PHE   60 - QG1   VAL   42   5.99 +/- 1.88  25.997% * 87.8389% (0.93   1.88   4.65) =  89.597%  kept
          QE    PHE   59 - QG1   VAL   42   5.35 +/- 1.95  33.938% *  5.5449% (0.33   0.34   0.02) =   7.383%  kept
          HN    LYS+  66 - QG1   VAL   42   7.88 +/- 2.16  17.380% *  3.5825% (0.81   0.09   0.02) =   2.443%  kept
          QD    PHE   60 - QB    ALA   47   8.53 +/- 2.28  11.403% *  0.8079% (0.80   0.02   0.02) =   0.361%  kept
          HN    LYS+  81 - QB    ALA   47  11.20 +/- 2.20   4.287% *  0.5751% (0.57   0.02   0.02) =   0.097%
          QE    PHE   59 - QB    ALA   47  11.85 +/- 1.38   4.416% *  0.2856% (0.28   0.02   0.02) =   0.049%
          HN    LYS+  81 - QG1   VAL   42  15.96 +/- 2.22   1.440% *  0.6659% (0.66   0.02   0.02) =   0.038%
          HN    LYS+  66 - QB    ALA   47  15.37 +/- 2.30   1.139% *  0.6993% (0.70   0.02   0.02) =   0.031%
    Distance limit 3.11 A violated in 4 structures by 0.92 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 5.19, residual support = 85.2:
          HN    VAL   42 - QG1   VAL   42   3.58 +/- 0.43  60.872% * 85.8524% (0.77   5.46  90.28) =  94.324%  kept
          HN    LEU   73 - QG1   VAL   42   6.54 +/- 2.15  24.149% * 12.8894% (0.77   0.82   0.19) =   5.618%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.60 +/- 1.11   5.571% *  0.3147% (0.77   0.02   0.02) =   0.032%
          HN    LYS+ 106 - QB    ALA   47  15.90 +/- 2.08   1.668% *  0.2718% (0.67   0.02   0.02) =   0.008%
          HN    LEU   73 - QB    ALA   47  14.12 +/- 1.65   1.402% *  0.2718% (0.67   0.02   0.02) =   0.007%
          HN    ILE   19 - QG1   VAL   42   9.55 +/- 2.60   4.542% *  0.0688% (0.17   0.02   0.02) =   0.006%
          HN    VAL   42 - QB    ALA   47  15.03 +/- 1.13   0.964% *  0.2718% (0.67   0.02   0.02) =   0.005%
          HN    ILE   19 - QB    ALA   47  17.34 +/- 3.93   0.833% *  0.0594% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 5.1, residual support = 39.9:
          HN    VAL   43 - QG1   VAL   42   2.95 +/- 0.45  95.956% * 99.3910% (0.40   5.10  39.86) =  99.991%  kept
          HN    VAL   43 - QB    ALA   47  12.83 +/- 1.05   1.376% *  0.3365% (0.34   0.02   0.02) =   0.005%
          HN    VAL   24 - QG1   VAL   42  13.51 +/- 1.65   1.237% *  0.1462% (0.15   0.02   0.02) =   0.002%
          HN    VAL   24 - QB    ALA   47  15.54 +/- 2.93   1.430% *  0.1263% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.424, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   7.67 +/- 1.42  84.261% * 53.6601% (0.43   0.02   0.02) =  86.110%  kept
          HN    LEU  104 - QB    ALA   47  17.87 +/- 1.90  15.739% * 46.3399% (0.37   0.02   0.02) =  13.890%  kept
    Distance limit 3.88 A violated in 20 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.72, residual support = 15.9:
          HN    TRP   49 - QB    ALA   47   2.58 +/- 0.24  92.392% * 95.0485% (0.29   3.72  15.94) =  99.914%  kept
          HD22  ASN   69 - QG1   VAL   42   9.58 +/- 2.34   3.818% *  1.0581% (0.61   0.02   0.02) =   0.046%
          HE22  GLN   30 - QG1   VAL   42   9.94 +/- 1.47   2.305% *  0.9199% (0.53   0.02   0.02) =   0.024%
          HD22  ASN   69 - QB    ALA   47  20.58 +/- 3.08   0.506% *  1.3815% (0.79   0.02   0.02) =   0.008%
          HE22  GLN   30 - QB    ALA   47  18.28 +/- 2.72   0.404% *  1.2010% (0.69   0.02   0.02) =   0.006%
          HN    TRP   49 - QG1   VAL   42  14.81 +/- 1.67   0.574% *  0.3910% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.50 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 = 0.396, support = 2.31, residual support = 10.6:
      O   HN    ALA   47 - QB    ALA   47   2.35 +/- 0.18  72.929% * 93.4110% (0.39  10.0   2.34  10.86) =  97.752%  kept
          QD    PHE   95 - QG1   VAL   42   4.12 +/- 1.44  24.810% *  6.2982% (0.70   1.0   0.75   1.21) =   2.242%  kept
          QD    PHE   95 - QB    ALA   47   8.98 +/- 1.03   1.581% *  0.2193% (0.91   1.0   0.02   0.02) =   0.005%
          HN    ALA   47 - QG1   VAL   42  11.48 +/- 0.96   0.680% *  0.0715% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 0.614, support = 2.27, residual support = 18.9:
        T HB3   LEU   73 - QG1   VAL   43   6.53 +/- 3.15  21.006% * 38.5773% (0.69 10.00   0.39   6.06) =  52.292%  kept
          HB    VAL   42 - QG1   VAL   43   5.59 +/- 0.73  12.578% * 41.7722% (0.62  1.00   4.67  39.86) =  33.904%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.16 +/- 0.89  11.545% * 17.7318% (0.34  1.00   3.63  16.57) =  13.210%  kept
          HG    LEU   98 - QG1   VAL   43   5.89 +/- 2.13  19.819% *  0.1684% (0.58  1.00   0.02   0.02) =   0.215%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.48 +/- 2.18  11.068% *  0.2462% (0.85  1.00   0.02   0.02) =   0.176%  kept
          QB    ALA   84 - QG1   VAL   43   9.97 +/- 2.12   3.446% *  0.1989% (0.69  1.00   0.02   0.02) =   0.044%
          HB3   PRO   93 - QG1   VAL   43   9.75 +/- 1.11   2.391% *  0.2084% (0.72  1.00   0.02   0.02) =   0.032%
          HG3   LYS+  65 - QG1   VAL   43  12.17 +/- 2.68   2.394% *  0.1788% (0.62  1.00   0.02   0.02) =   0.028%
          HG3   LYS+ 102 - QG1   VAL   43  11.49 +/- 1.66   1.904% *  0.2084% (0.72  1.00   0.02   0.02) =   0.026%
          HB3   LEU   80 - QG1   VAL   43  10.74 +/- 4.05   6.827% *  0.0515% (0.18  1.00   0.02   0.02) =   0.023%
          HB2   LEU   63 - QG1   VAL   43   9.36 +/- 2.02   3.509% *  0.0724% (0.25  1.00   0.02   0.02) =   0.016%
          HG3   LYS+  33 - QG1   VAL   43  12.08 +/- 2.45   1.487% *  0.1579% (0.54  1.00   0.02   0.02) =   0.015%
          HB2   LYS+ 112 - QG1   VAL   43  14.54 +/- 1.93   0.795% *  0.2258% (0.78  1.00   0.02   0.02) =   0.012%
          QB    ALA  124 - QG1   VAL   43  16.73 +/- 2.40   0.539% *  0.1370% (0.47  1.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QG1   VAL   43  16.25 +/- 2.45   0.694% *  0.0649% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.39 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.267, support = 1.55, residual support = 4.24:
        T HH2   TRP   27 - QG1   VAL   43   5.16 +/- 3.93  56.280% * 46.1376% (0.31 10.00   1.21   4.24) =  52.442%  kept
        T HZ3   TRP   27 - QG1   VAL   43   5.48 +/- 3.47  43.720% * 53.8624% (0.22 10.00   1.93   4.24) =  47.558%  kept
    Distance limit 3.05 A violated in 6 structures by 1.83 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.36, residual support = 61.3:
          HN    VAL   43 - QG1   VAL   43   2.42 +/- 0.68 100.000% *100.0000% (0.80   5.36  61.29) = 100.000%  kept
    Distance limit 3.34 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 = 0.358, support = 3.61, residual support = 16.8:
          HN    ASP-  44 - QG2   VAL   43   3.42 +/- 0.45  48.190% * 70.9088% (0.39   3.91  16.57) =  83.214%  kept
          HN    ASN   28 - QD2   LEU   31   3.94 +/- 0.76  34.802% * 18.8172% (0.18   2.22  19.16) =  15.948%  kept
          HN    ASN   28 - QG2   VAL   43  10.16 +/- 2.81   3.436% *  9.4558% (0.63   0.32   0.02) =   0.791%  kept
          HN    GLU-  25 - QG2   VAL   43  11.94 +/- 2.84   1.754% *  0.3367% (0.36   0.02   0.02) =   0.014%
          HN    ASP-  44 - QD2   LEU   31   9.16 +/- 1.84   4.406% *  0.1040% (0.11   0.02   0.02) =   0.011%
          HN    GLU-  25 - QD2   LEU   31   7.67 +/- 0.75   4.320% *  0.0966% (0.10   0.02   0.02) =   0.010%
          HN    ASN   69 - QG2   VAL   43  11.77 +/- 1.93   1.793% *  0.2183% (0.23   0.02   0.02) =   0.010%
          HN    ASN   69 - QD2   LEU   31  12.68 +/- 1.80   1.298% *  0.0626% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.22, residual support = 61.3:
      O   HN    VAL   43 - HB    VAL   43   2.86 +/- 0.47 100.000% *100.0000% (0.87  10.0   4.22  61.29) = 100.000%  kept
    Distance limit 3.57 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 = 16.3:
          HN    MET   96 - HB    VAL   43   3.79 +/- 0.73 100.000% *100.0000% (0.51   1.50  16.27) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.55, residual support = 18.4:
        T QD    PHE   45 - HB3   ASP-  44   4.78 +/- 0.24 100.000% *100.0000% (0.80 10.00   4.55  18.44) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.84 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.93, residual support = 39.6:
      O   HN    ASP-  44 - HB3   ASP-  44   3.10 +/- 0.54  98.111% * 99.8560% (0.98  10.0   3.93  39.59) =  99.999%  kept
          HN    GLU-  25 - HB3   ASP-  44  17.13 +/- 2.07   0.821% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  15.70 +/- 1.88   1.068% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.921, support = 1.94, residual support = 5.09:
          HA    LYS+  74 - HB2   ASP-  44   5.21 +/- 0.88  85.576% * 91.9194% (0.92  1.00   1.97   5.17) =  98.540%  kept
        T HA    MET   92 - HB2   ASP-  44  11.19 +/- 1.78  14.424% *  8.0806% (0.80 10.00   0.02   0.02) =   1.460%  kept
    Distance limit 4.08 A violated in 11 structures by 1.17 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.13, residual support = 39.6:
      O   HN    ASP-  44 - HB2   ASP-  44   2.87 +/- 0.45  98.693% * 99.8560% (0.98  10.0   3.13  39.59) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  16.88 +/- 1.78   0.550% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  15.39 +/- 1.74   0.756% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 3.89, residual support = 33.1:
      O   HN    ASP-  44 - HA    ASP-  44   2.88 +/- 0.04  32.756% * 81.9551% (0.80  10.0   3.82  39.59) =  69.278%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.02  66.413% * 17.9245% (0.18  10.0   4.06  18.44) =  30.721%  kept
          HN    ALA  110 - HA    ASP-  44  11.62 +/- 2.15   0.666% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  17.23 +/- 1.55   0.165% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.25:
          HA    PHE   95 - HA    ASP-  44   2.91 +/- 0.85 100.000% *100.0000% (0.87   2.00   4.25) = 100.000%  kept
    Distance limit 3.72 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.3:
        T HB    THR   94 - HB2   PHE   45   2.93 +/- 0.54  86.728% * 98.9931% (0.65 10.00   2.96  27.35) =  99.987%  kept
          QB    SER   48 - HB2   PHE   45   9.71 +/- 0.89   3.088% *  0.1169% (0.76  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - HB2   PHE   45  12.68 +/- 1.58   1.519% *  0.1477% (0.97  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - HB2   PHE   45  15.51 +/- 2.70   0.875% *  0.1413% (0.92  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   PHE   45  11.33 +/- 1.83   2.353% *  0.0522% (0.34  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  13.69 +/- 0.92   1.092% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PHE   45  11.32 +/- 1.51   2.268% *  0.0268% (0.18  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  20.01 +/- 1.22   0.328% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  23.11 +/- 3.22   0.258% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  14.90 +/- 1.28   0.805% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  20.10 +/- 1.70   0.327% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  21.51 +/- 2.48   0.359% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.445, support = 2.25, residual support = 11.2:
          QG2   THR   77 - HB2   PHE   45   3.65 +/- 1.11  77.775% * 87.1879% (0.45   2.27  11.37) =  98.779%  kept
          QB    ALA   88 - HB2   PHE   45  10.10 +/- 1.60   7.950% *  8.8397% (0.15   0.67   0.02) =   1.024%  kept
          QG2   ILE   56 - HB2   PHE   45   9.90 +/- 2.64   8.949% *  0.7679% (0.45   0.02   0.02) =   0.100%  kept
          QG2   THR   23 - HB2   PHE   45  15.52 +/- 1.84   2.161% *  1.6202% (0.95   0.02   0.02) =   0.051%
          QB    ALA   34 - HB2   PHE   45  15.31 +/- 1.38   2.665% *  1.1080% (0.65   0.02   0.02) =   0.043%
          HG3   LYS+  38 - HB2   PHE   45  24.25 +/- 1.34   0.500% *  0.4762% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 1 structures by 0.31 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 11.7:
        T QG2   ILE   89 - HB2   PHE   45   5.15 +/- 2.90  67.981% * 99.8023% (1.00 10.00   0.75  11.72) =  99.944%  kept
          QG1   VAL   83 - HB2   PHE   45   9.36 +/- 2.00  21.825% *  0.1510% (0.57  1.00   0.02   2.09) =   0.049%
          QD1   LEU  104 - HB2   PHE   45  14.97 +/- 1.16  10.194% *  0.0467% (0.18  1.00   0.02   0.02) =   0.007%
    Distance limit 3.81 A violated in 6 structures by 1.59 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.869, support = 2.65, residual support = 11.1:
          QG2   THR   77 - HB3   PHE   45   3.42 +/- 0.90  80.984% * 77.8566% (0.87   2.69  11.37) =  98.027%  kept
          QB    ALA   88 - HB3   PHE   45  10.06 +/- 1.68   6.025% * 20.6121% (0.99   0.62   0.02) =   1.931%  kept
          HG2   LYS+ 111 - HB3   PHE   45  14.66 +/- 2.68   4.378% *  0.2506% (0.38   0.02   0.02) =   0.017%
          HB3   LEU   80 - HB3   PHE   45  11.18 +/- 2.40   5.930% *  0.1322% (0.20   0.02   0.02) =   0.012%
          HB2   LEU   31 - HB3   PHE   45  17.87 +/- 2.97   1.626% *  0.2061% (0.31   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HB3   PHE   45  19.77 +/- 0.95   0.662% *  0.4320% (0.65   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HB3   PHE   45  23.84 +/- 1.10   0.394% *  0.5103% (0.76   0.02   0.02) =   0.003%
    Distance limit 3.53 A violated in 1 structures by 0.34 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 11.7:
        T QG2   ILE   89 - HB3   PHE   45   4.98 +/- 2.93 100.000% *100.0000% (0.69 10.00   0.75  11.72) = 100.000%  kept
    Distance limit 3.66 A violated in 3 structures by 1.56 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.35, residual support = 80.0:
      O   QD    PHE   45 - HB2   PHE   45   2.47 +/- 0.15  99.126% * 99.6976% (0.65  10.0   4.35  80.02) =  99.999%  kept
          HD2   HIS  122 - HB2   PHE   45  16.60 +/- 1.73   0.361% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB2   PHE   45  18.63 +/- 1.87   0.257% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  21.60 +/- 3.95   0.257% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.95 +/- 0.52  87.519% * 95.1047% (0.73  10.0   3.63  80.02) =  99.512%  kept
          HN    ASP-  44 - HB2   PHE   45   6.61 +/- 0.55   8.516% *  4.7417% (0.22   1.0   3.25  18.44) =   0.483%  kept
          HN    ALA  110 - HB2   PHE   45  10.67 +/- 2.48   3.428% *  0.1209% (0.92   1.0   0.02   0.02) =   0.005%
          HN    GLU-  25 - HB2   PHE   45  17.82 +/- 2.19   0.536% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.05, residual support = 80.0:
      O   QD    PHE   45 - HB3   PHE   45   2.56 +/- 0.20  98.896% * 99.6976% (0.65  10.0   5.05  80.02) =  99.999%  kept
          HD2   HIS  122 - HB3   PHE   45  16.64 +/- 2.40   0.506% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB3   PHE   45  18.86 +/- 2.40   0.334% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  21.56 +/- 4.13   0.265% *  0.0305% (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 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.95, residual support = 79.6:
      O   HN    PHE   45 - HB3   PHE   45   3.01 +/- 0.66  85.863% * 95.1053% (0.73  10.0   3.95  80.02) =  99.376%  kept
          HN    ASP-  44 - HB3   PHE   45   6.54 +/- 0.31  10.739% *  4.7411% (0.22   1.0   3.25  18.44) =   0.620%  kept
          HN    ALA  110 - HB3   PHE   45  11.08 +/- 2.80   2.604% *  0.1209% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB3   PHE   45  17.87 +/- 2.43   0.795% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 1.05, residual support = 3.78:
          HA    ASP-  76 - QG2   THR   46   4.30 +/- 1.95 100.000% *100.0000% (0.41   1.05   3.78) = 100.000%  kept
    Distance limit 3.45 A violated in 6 structures by 1.13 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.35, residual support = 34.1:
          HN    THR   46 - QG2   THR   46   2.44 +/- 0.43  86.026% * 90.0354% (0.76   3.37  34.33) =  99.444%  kept
          HN    LYS+  74 - QG2   THR   46   8.13 +/- 1.82   4.606% *  8.5335% (1.00   0.24   0.19) =   0.505%  kept
          HN    MET   92 - QG2   THR   46   7.70 +/- 1.61   5.202% *  0.3956% (0.57   0.02   0.02) =   0.026%
          HN    LYS+ 112 - QG2   THR   46  12.17 +/- 3.11   3.778% *  0.4520% (0.65   0.02   0.02) =   0.022%
          HN    MET   11 - QG2   THR   46  23.62 +/- 4.75   0.388% *  0.5836% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.12 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 = 0.251, support = 3.19, residual support = 12.1:
          HN    ALA   47 - QG2   THR   46   3.28 +/- 0.61  85.944% * 97.9511% (0.25   3.20  12.12) =  99.659%  kept
          QD    PHE   95 - QG2   THR   46   7.44 +/- 1.35  14.056% *  2.0489% (0.84   0.02   0.02) =   0.341%  kept
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.304, support = 0.866, residual support = 0.517:
          QB    CYS   50 - QG2   THR   46   4.76 +/- 2.14  50.469% * 59.6706% (0.31   0.99   0.65) =  70.638%  kept
          QE    LYS+  74 - QG2   THR   46   5.62 +/- 2.10  37.927% * 32.1169% (0.28   0.59   0.19) =  28.571%  kept
          HB2   PHE   72 - QG2   THR   46  10.87 +/- 1.75   6.023% *  3.9098% (1.00   0.02   0.02) =   0.552%  kept
          HA    ALA   64 - QG2   THR   46  10.52 +/- 1.94   4.492% *  1.6110% (0.41   0.02   0.02) =   0.170%  kept
          HB3   ASN   69 - QG2   THR   46  17.08 +/- 2.26   1.090% *  2.6917% (0.69   0.02   0.02) =   0.069%
    Distance limit 3.65 A violated in 3 structures by 0.50 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.17:
      O   HN    SER   48 - HA    SER   48   2.73 +/- 0.05  98.868% * 99.9333% (0.49  10.0   2.61   9.17) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.99 +/- 3.10   0.914% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  22.39 +/- 2.27   0.217% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 2.41, residual support = 9.17:
      O   HN    SER   48 - QB    SER   48   2.39 +/- 0.23  98.246% * 99.9496% (0.95  10.0   2.41   9.17) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.09 +/- 2.43   1.535% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  19.98 +/- 2.24   0.220% *  0.0260% (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 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.928, support = 4.09, residual support = 83.9:
      O   HN    TRP   49 - HB2   TRP   49   3.49 +/- 0.29  55.237% * 97.0705% (0.95  10.0   4.10  85.70) =  97.735%  kept
          HN    CYS   50 - HB2   TRP   49   3.83 +/- 0.70  44.146% *  2.8145% (0.15   1.0   3.56   4.73) =   2.265%  kept
          HE22  GLN   30 - HB2   TRP   49  24.79 +/- 4.56   0.325% *  0.0947% (0.92   1.0   0.02   0.02) =   0.001%
          HD22  ASN   69 - HB2   TRP   49  27.55 +/- 5.37   0.292% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 4.74, residual support = 85.7:
      O   HD1   TRP   49 - HB2   TRP   49   3.89 +/- 0.06  92.015% * 99.6923% (0.80  10.0   4.74  85.70) =  99.995%  kept
          HD2   HIS   22 - HB2   TRP   49  22.53 +/- 6.06   2.256% *  0.1149% (0.92   1.0   0.02   0.02) =   0.003%
          HN    THR   23 - HB2   TRP   49  21.18 +/- 5.33   4.412% *  0.0192% (0.15   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   TRP   49  21.93 +/- 4.02   1.087% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   TRP   49  32.11 +/- 4.82   0.230% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.781, support = 3.97, residual support = 84.6:
      O   HN    TRP   49 - HB3   TRP   49   3.14 +/- 0.46  66.740% * 97.0985% (0.79  10.0   3.98  85.70) =  98.618%  kept
          HN    CYS   50 - HB3   TRP   49   4.13 +/- 0.61  32.580% *  2.7864% (0.13   1.0   3.52   4.73) =   1.382%  kept
          HE22  GLN   30 - HB3   TRP   49  24.83 +/- 4.60   0.488% *  0.0948% (0.77   1.0   0.02   0.02) =   0.001%
          HD22  ASN   69 - HB3   TRP   49  27.74 +/- 5.54   0.192% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.71, residual support = 85.7:
      O   HD1   TRP   49 - HB3   TRP   49   3.03 +/- 0.22  88.842% * 99.6923% (0.67  10.0   4.71  85.70) =  99.994%  kept
          HD2   HIS   22 - HB3   TRP   49  22.49 +/- 6.17   3.374% *  0.1149% (0.77   1.0   0.02   0.02) =   0.004%
          HN    THR   23 - HB3   TRP   49  21.07 +/- 5.43   7.084% *  0.0192% (0.13   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB3   TRP   49  22.24 +/- 4.14   0.546% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  32.06 +/- 4.79   0.154% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.708, support = 0.02, residual support = 2.51:
          HB2   PRO   52 - HB3   TRP   49   9.92 +/- 0.87  68.984% * 45.9163% (0.72   0.02   3.21) =  77.971%  kept
          HB2   ASP-  62 - HB3   TRP   49  19.57 +/- 3.34  16.996% * 45.9163% (0.72   0.02   0.02) =  19.210%  kept
          HG2   MET   96 - HB3   TRP   49  20.97 +/- 3.30  14.020% *  8.1674% (0.13   0.02   0.02) =   2.819%  kept
    Distance limit 3.97 A violated in 20 structures by 5.70 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.521, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.84 +/- 1.16  28.793% * 16.1708% (0.47   0.02   0.02) =  28.443%  kept
          QE    LYS+ 112 - HB3   TRP   49  14.89 +/- 3.83  25.046% * 16.1708% (0.47   0.02   0.02) =  24.741%  kept
          QG    GLU-  79 - HB3   TRP   49  14.79 +/- 2.95  26.167% * 13.9029% (0.41   0.02   0.02) =  22.224%  kept
          HB    VAL  107 - HB3   TRP   49  19.33 +/- 2.80  10.862% * 27.0190% (0.79   0.02   0.02) =  17.929%  kept
          QG    GLN   32 - HB3   TRP   49  28.29 +/- 4.08   3.882% * 22.8711% (0.67   0.02   0.02) =   5.423%  kept
          HG2   GLU-  29 - HB3   TRP   49  28.80 +/- 5.16   5.250% *  3.8655% (0.11   0.02   0.02) =   1.240%  kept
    Distance limit 4.04 A violated in 19 structures by 6.48 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 = 6.9:
          QB    ALA   47 - QB    CYS   50   4.02 +/- 0.81  74.824% * 98.8148% (0.65   3.60   6.91) =  99.905%  kept
          HG2   LYS+ 112 - QB    CYS   50  12.03 +/- 3.72  18.064% *  0.1891% (0.22   0.02   0.02) =   0.046%
          QB    ALA   64 - QB    CYS   50  11.05 +/- 1.40   4.084% *  0.5494% (0.65   0.02   0.02) =   0.030%
          QG1   VAL   42 - QB    CYS   50  11.92 +/- 1.53   3.028% *  0.4468% (0.53   0.02   0.02) =   0.018%
    Distance limit 3.67 A violated in 1 structures by 0.44 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.986, support = 1.53, residual support = 7.57:
        T HB2   CYS   53 - QB    CYS   50   3.57 +/- 1.15  66.048% * 89.6784% (1.00 10.00   1.50   7.89) =  95.839%  kept
          HD3   PRO   52 - QB    CYS   50   5.32 +/- 1.09  25.548% * 10.0464% (0.73  1.00   2.31   0.02) =   4.153%  kept
          HD2   PRO   58 - QB    CYS   50   9.43 +/- 2.07   6.111% *  0.0583% (0.49  1.00   0.02   0.02) =   0.006%
          HA    VAL   83 - QB    CYS   50  15.68 +/- 3.26   0.993% *  0.0493% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  21.73 +/- 2.84   0.330% *  0.0960% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  17.01 +/- 3.65   0.769% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.12 +/- 2.24   0.201% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.61, residual support = 7.4:
      O   HN    CYS   50 - QB    CYS   50   2.84 +/- 0.37  77.593% * 88.4040% (0.80  10.0   1.58   7.49) =  96.574%  kept
          HN    TRP   49 - QB    CYS   50   4.58 +/- 0.48  21.131% * 11.5135% (0.65   1.0   2.55   4.73) =   3.425%  kept
          HN    VAL   83 - QB    CYS   50  14.98 +/- 3.36   0.817% *  0.0477% (0.34   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    CYS   50  19.17 +/- 3.00   0.458% *  0.0349% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  98.120% * 97.0144% (0.87  10.0 10.00   2.81  10.15) =  99.987%  kept
        T QB    SER   48 - HA1   GLY   51   8.80 +/- 0.68   0.859% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QB    SER   85 - HA1   GLY   51  18.52 +/- 3.61   0.151% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA1   GLY   51  18.53 +/- 2.73   0.128% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  14.87 +/- 1.44   0.175% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  27.98 +/- 5.75   0.177% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  20.07 +/- 3.04   0.087% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  23.66 +/- 2.16   0.044% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.39 +/- 2.28   0.036% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  14.54 +/- 2.39   0.224% *  0.0151% (0.14   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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.976, support = 3.4, residual support = 38.9:
          HB3   CYS   53 - HB2   PRO   52   5.95 +/- 0.50  16.713% * 78.2583% (0.99   4.68  55.84) =  69.517%  kept
          QB    PHE   55 - HB2   PRO   52   4.47 +/- 1.08  37.159% *  9.1607% (0.92   0.59   0.29) =  18.092%  kept
          HD3   PRO   93 - HB2   PRO   52   7.73 +/- 5.05  26.883% *  6.5926% (0.98   0.40   0.02) =   9.419%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.12 +/- 1.30  11.225% *  4.8837% (0.97   0.30   1.92) =   2.914%  kept
          HB2   PHE   59 - HB2   PRO   52  12.68 +/- 1.70   1.637% *  0.2320% (0.69   0.02   0.02) =   0.020%
          HD3   PRO   68 - HB2   PRO   52  22.56 +/- 2.90   0.557% *  0.3259% (0.97   0.02   0.02) =   0.010%
          HD3   PRO   68 - HG2   MET   96  16.21 +/- 2.90   1.289% *  0.0957% (0.28   0.02   0.02) =   0.007%
          HD3   PRO   93 - HG2   MET   96  14.70 +/- 1.24   1.243% *  0.0972% (0.29   0.02   0.02) =   0.006%
          QB    PHE   55 - HG2   MET   96  17.01 +/- 1.77   0.888% *  0.0916% (0.27   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG2   MET   96  15.59 +/- 2.05   1.093% *  0.0681% (0.20   0.02   0.02) =   0.004%
          HB3   CYS   53 - HG2   MET   96  17.05 +/- 1.85   0.718% *  0.0983% (0.29   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG2   MET   96  21.70 +/- 2.65   0.595% *  0.0957% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.349, support = 1.76, residual support = 16.7:
        T HD3   PRO   93 - HB3   PRO   52   7.98 +/- 4.31  23.332% * 36.7523% (0.41 10.00   0.38   0.02) =  44.707%  kept
          HB3   CYS   53 - HB3   PRO   52   6.32 +/- 0.97  19.352% * 29.1387% (0.25  1.00   4.95  55.84) =  29.398%  kept
        T HD2   ARG+  54 - HB3   PRO   52   7.97 +/- 1.32  10.078% * 25.1326% (0.20 10.00   0.54   1.92) =  13.205%  kept
          QB    PHE   55 - HB3   PRO   52   4.69 +/- 1.01  38.662% *  6.2443% (0.53  1.00   0.50   0.29) =  12.586%  kept
        T HD3   PRO   68 - HB3   PRO   52  23.37 +/- 3.13   0.537% *  2.1154% (0.45 10.00   0.02   0.02) =   0.059%
          HB2   PHE   59 - HB3   PRO   52  13.33 +/- 1.17   1.565% *  0.3778% (0.80  1.00   0.02   0.02) =   0.031%
        T HD2   ARG+  54 - QB    LYS+  81  19.30 +/- 4.73   1.291% *  0.1071% (0.02 10.00   0.02   0.02) =   0.007%
          HD3   PRO   93 - QB    LYS+  81  14.77 +/- 2.30   1.448% *  0.0223% (0.05  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - QB    LYS+  81  21.38 +/- 3.53   0.715% *  0.0433% (0.09  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - QB    LYS+  81  18.12 +/- 3.67   0.853% *  0.0285% (0.06  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - QB    LYS+  81  15.61 +/- 4.14   1.773% *  0.0135% (0.03  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - QB    LYS+  81  22.81 +/- 3.11   0.396% *  0.0243% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.431, support = 0.02, residual support = 0.0265:
          QB    ALA  110 - HB2   PRO   52   8.93 +/- 5.18  17.147% *  2.7932% (0.28   0.02   0.02) =  16.213%  kept
          HB3   LEU  115 - HB2   PRO   52  12.80 +/- 3.23   4.852% *  8.3913% (0.84   0.02   0.02) =  13.784%  kept
          HG    LEU  115 - HB2   PRO   52  12.05 +/- 3.30   7.854% *  2.7932% (0.28   0.02   0.02) =   7.426%  kept
          QB    ALA   61 - HB2   PRO   52  12.05 +/- 1.39   3.887% *  4.8900% (0.49   0.02   0.02) =   6.434%  kept
          HG    LEU   40 - HG2   MET   96  10.84 +/- 2.44   7.158% *  2.4650% (0.25   0.02   0.02) =   5.973%  kept
          HG    LEU   73 - HG2   MET   96  12.21 +/- 3.32   5.903% *  2.8481% (0.28   0.02   0.02) =   5.691%  kept
          HG2   LYS+ 102 - HG2   MET   96  10.91 +/- 1.66   5.463% *  2.9446% (0.29   0.02   0.02) =   5.445%  kept
          HG    LEU   73 - HB2   PRO   52  20.70 +/- 4.65   1.374% *  9.6953% (0.97   0.02   0.02) =   4.508%  kept
          QG    LYS+  66 - HG2   MET   96  15.58 +/- 4.00   5.390% *  2.4650% (0.25   0.02   0.02) =   4.498%  kept
          HB3   LEU  115 - HG2   MET   96  12.15 +/- 2.27   5.253% *  2.4650% (0.25   0.02   0.14) =   4.384%  kept
          HG    LEU   80 - HB2   PRO   52  20.95 +/- 5.02   3.498% *  3.1007% (0.31   0.02   0.02) =   3.671%  kept
          QG    LYS+  66 - HB2   PRO   52  18.52 +/- 2.15   1.230% *  8.3913% (0.84   0.02   0.02) =   3.493%  kept
          HG    LEU   67 - HG2   MET   96  14.48 +/- 3.16   3.283% *  2.1430% (0.21   0.02   0.02) =   2.382%  kept
          HB3   LEU   67 - HG2   MET   96  14.12 +/- 2.63   3.348% *  1.9091% (0.19   0.02   0.02) =   2.164%  kept
          HB3   LEU   67 - HB2   PRO   52  21.01 +/- 2.66   0.860% *  6.4990% (0.65   0.02   0.02) =   1.893%  kept
          HG    LEU   67 - HB2   PRO   52  21.27 +/- 2.49   0.696% *  7.2951% (0.73   0.02   0.02) =   1.719%  kept
          HG    LEU   80 - HG2   MET   96  16.06 +/- 5.62   4.864% *  0.9109% (0.09   0.02   0.02) =   1.500%  kept
          HG    LEU   40 - HB2   PRO   52  23.30 +/- 2.41   0.527% *  8.3913% (0.84   0.02   0.02) =   1.497%  kept
          QB    ALA  110 - HG2   MET   96  12.42 +/- 1.55   4.954% *  0.8205% (0.08   0.02   0.02) =   1.376%  kept
          QB    ALA   61 - HG2   MET   96  13.64 +/- 1.57   2.764% *  1.4365% (0.14   0.02   0.02) =   1.344%  kept
          QB    ALA  120 - HB2   PRO   52  17.67 +/- 2.11   1.328% *  2.7932% (0.28   0.02   0.02) =   1.256%  kept
          HG    LEU  115 - HG2   MET   96  13.82 +/- 2.09   3.408% *  0.8205% (0.08   0.02   0.14) =   0.947%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.21 +/- 3.20   0.268% * 10.0239% (1.00   0.02   0.02) =   0.909%  kept
          QB    ALA  120 - HG2   MET   96  15.56 +/- 2.56   2.027% *  0.8205% (0.08   0.02   0.02) =   0.563%  kept
          HG12  ILE   19 - HB2   PRO   52  24.25 +/- 4.29   0.632% *  2.2366% (0.22   0.02   0.02) =   0.478%  kept
          HG12  ILE   19 - HG2   MET   96  15.98 +/- 2.72   2.034% *  0.6570% (0.07   0.02   0.02) =   0.452%  kept
    Distance limit 3.24 A violated in 15 structures by 2.48 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.623, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HD2   PRO   52  13.89 +/- 3.30  12.380% * 14.5547% (0.18 10.00   0.02   0.02) =  23.111%  kept
          HB3   PRO   93 - HD2   PRO   52   9.03 +/- 2.81  27.248% *  5.3763% (0.65  1.00   0.02   0.02) =  18.789%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.63 +/- 5.59  12.657% *  6.9417% (0.84  1.00   0.02   0.02) =  11.269%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.92 +/- 1.99   9.618% *  8.1462% (0.98  1.00   0.02   0.02) =  10.050%  kept
          QB    ALA   84 - HD2   PRO   52  12.37 +/- 3.11  13.554% *  5.7087% (0.69  1.00   0.02   0.02) =   9.924%  kept
          HB3   LEU   80 - HD2   PRO   52  17.52 +/- 3.84   8.079% *  8.1462% (0.98  1.00   0.02   0.02) =   8.441%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  20.13 +/- 2.86   4.116% * 12.8231% (0.15 10.00   0.02   0.02) =   6.770%  kept
          HB2   LEU   63 - HD2   PRO   52  15.85 +/- 2.87   6.259% *  8.3107% (1.00  1.00   0.02   0.02) =   6.672%  kept
          QB    ALA  124 - HD2   PRO   52  24.36 +/- 1.54   1.562% *  7.4533% (0.90  1.00   0.02   0.02) =   1.494%  kept
          HG    LEU   98 - HD2   PRO   52  23.49 +/- 2.07   1.580% *  6.6547% (0.80  1.00   0.02   0.02) =   1.348%  kept
          HB2   LEU   31 - HD2   PRO   52  26.17 +/- 3.31   1.257% *  7.4533% (0.90  1.00   0.02   0.02) =   1.202%  kept
          HG2   LYS+  99 - HD2   PRO   52  28.42 +/- 2.24   0.993% *  4.7052% (0.57  1.00   0.02   0.02) =   0.599%  kept
          HG2   LYS+  38 - HD2   PRO   52  31.90 +/- 2.41   0.696% *  3.7260% (0.45  1.00   0.02   0.02) =   0.332%  kept
    Distance limit 3.71 A violated in 20 structures by 3.71 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 223.4:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  97.781% * 97.1447% (0.80  10.0 10.00   7.38 223.38) =  99.988%  kept
        T HA    SER   48 - HD3   PRO   52   9.15 +/- 1.02   0.767% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   SER   82 - HD3   PRO   52  21.59 +/- 4.17   0.092% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HD3   PRO   52  16.76 +/- 4.40   0.580% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HD3   PRO   52  24.17 +/- 3.77   0.123% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  23.48 +/- 5.22   0.115% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.56 +/- 3.51   0.168% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.35 +/- 2.38   0.125% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  28.26 +/- 5.30   0.114% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.09 +/- 3.32   0.020% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  20.50 +/- 2.27   0.071% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  30.04 +/- 4.11   0.026% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.35 +/- 3.40   0.018% *  0.0544% (0.45   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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.36, residual support = 222.0:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  92.519% * 88.4394% (0.87  10.0 10.00   7.38 223.38) =  99.156%  kept
          HB2   CYS   53 - HD2   PRO   52   4.45 +/- 0.58   6.747% * 10.3028% (0.38   1.0  1.00   5.38  55.84) =   0.842%  kept
        T HB3   SER   82 - HD2   PRO   52  20.55 +/- 4.14   0.103% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  13.40 +/- 2.56   0.306% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  27.58 +/- 6.28   0.125% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.76 +/- 3.58   0.033% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.23 +/- 2.06   0.119% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.59 +/- 2.83   0.027% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.33 +/- 3.15   0.020% *  0.0457% (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 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.7:
      O   HA1   GLY   51 - HD3   PRO   52   2.53 +/- 0.54  93.442% * 97.0168% (0.76  10.0  1.00   3.95  13.73) =  99.990%  kept
        T HA    ILE  103 - HD3   PRO   52  25.21 +/- 2.06   0.163% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - HD3   PRO   52  13.57 +/- 3.51   1.597% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   39 - HD3   PRO   52  29.26 +/- 2.22   0.102% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  18.17 +/- 4.23   0.841% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  14.78 +/- 1.48   0.906% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HD3   PRO   52  11.14 +/- 1.17   1.639% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  17.97 +/- 3.99   0.515% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD3   PRO   52  35.13 +/- 8.26   0.184% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  32.79 +/- 7.77   0.314% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  20.72 +/- 3.99   0.297% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.15, residual support = 13.7:
      O   HA1   GLY   51 - HD2   PRO   52   3.18 +/- 0.36  90.876% * 92.3448% (0.34  10.0  1.00   5.16  13.73) =  99.940%  kept
        T HA    SER   85 - HD2   PRO   52  17.36 +/- 3.69   0.958% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.030%
          HB    THR   77 - HD2   PRO   52  12.34 +/- 3.57   3.012% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.009%
        T HA    ILE  103 - HD2   PRO   52  23.92 +/- 2.00   0.259% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - HD2   PRO   52  13.34 +/- 1.46   1.695% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HA    THR   39 - HD2   PRO   52  27.82 +/- 2.09   0.165% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HD2   PRO   52  17.01 +/- 4.19   1.149% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HD2   PRO   52  19.93 +/- 3.75   0.580% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HD2   PRO   52  31.60 +/- 7.19   0.497% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  33.94 +/- 7.70   0.282% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HD2   PRO   52  28.35 +/- 5.43   0.323% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.56 +/- 2.12   0.205% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.4:
      O   HG2   PRO   52 - HD3   PRO   52   2.88 +/- 0.13  88.319% * 99.6603% (0.90  10.0   6.60 223.38) =  99.994%  kept
          HG2   MET   92 - HD3   PRO   52  10.33 +/- 4.22   8.660% *  0.0417% (0.38   1.0   0.02   0.02) =   0.004%
          QG    GLU- 114 - HD3   PRO   52  14.48 +/- 3.70   1.354% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD3   PRO   52  17.91 +/- 3.65   0.574% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  14.84 +/- 1.98   0.827% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.47 +/- 5.72   0.209% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.32 +/- 3.60   0.056% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 223.4:
      O   HG3   PRO   52 - HD3   PRO   52   2.33 +/- 0.13  95.286% * 99.3977% (0.97  10.0  1.00   6.60 223.38) =  99.993%  kept
        T HB2   PRO   93 - HD3   PRO   52   9.44 +/- 3.09   2.778% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          HG2   PRO   58 - HD3   PRO   52  13.83 +/- 1.90   0.635% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD3   PRO   52  26.40 +/- 4.87   0.764% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  29.35 +/- 5.74   0.120% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.22 +/- 4.81   0.282% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  34.88 +/- 7.64   0.070% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.01 +/- 3.25   0.067% *  0.0318% (0.31   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 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.79, residual support = 222.6:
      O   HB3   PRO   52 - HD3   PRO   52   3.74 +/- 0.28  74.723% * 96.7676% (0.57  10.0   6.81 223.38) =  99.664%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.45 +/- 0.78  11.522% *  1.9885% (0.95   1.0   0.25   1.92) =   0.316%  kept
          HB3   GLN   90 - HD3   PRO   52  13.60 +/- 4.04   3.950% *  0.1306% (0.76   1.0   0.02   0.02) =   0.007%
          HG3   PRO   68 - HD3   PRO   52  25.13 +/- 4.45   1.620% *  0.1675% (0.98   1.0   0.02   0.02) =   0.004%
          QB    LYS+  81 - HD3   PRO   52  16.48 +/- 4.19   1.618% *  0.1174% (0.69   1.0   0.02   0.02) =   0.003%
          HB    ILE   56 - HD3   PRO   52  11.09 +/- 1.10   3.583% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   PRO   52  17.95 +/- 2.36   0.977% *  0.1106% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   PRO   52  23.19 +/- 2.48   0.356% *  0.1578% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HD3   PRO   52  25.37 +/- 2.40   0.290% *  0.1650% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  27.72 +/- 3.31   0.238% *  0.1428% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.57 +/- 2.08   0.291% *  0.0968% (0.57   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.66 +/- 2.18   0.334% *  0.0528% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.73 +/- 2.64   0.369% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  32.51 +/- 2.54   0.127% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 6.07, residual support = 55.8:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.02  97.714% * 99.2991% (0.61   6.07  55.84) =  99.994%  kept
          HN    LEU   80 - HD3   PRO   52  17.54 +/- 3.88   1.408% *  0.2023% (0.38   0.02   0.02) =   0.003%
          HN    THR   26 - HD3   PRO   52  25.67 +/- 5.00   0.651% *  0.3487% (0.65   0.02   0.02) =   0.002%
          HN    ALA   34 - HD3   PRO   52  29.27 +/- 3.22   0.227% *  0.1499% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 3.58, residual support = 13.7:
          HN    GLY   51 - HD3   PRO   52   2.74 +/- 0.88  99.365% * 99.4778% (0.92   3.58  13.73) =  99.997%  kept
          HN    VAL  107 - HD3   PRO   52  17.89 +/- 2.32   0.635% *  0.5222% (0.87   0.02   0.02) =   0.003%
    Distance limit 4.15 A violated in 0 structures by 0.03 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   4.41 +/- 0.25  67.534% * 83.2997% (0.61   1.76   1.92) =  94.040%  kept
          HN    PHE   55 - HD2   PRO   52   6.04 +/- 0.40  26.915% * 13.0637% (0.73   0.23   0.29) =   5.878%  kept
          HN    ASP-  62 - HD2   PRO   52  14.61 +/- 1.60   2.206% *  1.4374% (0.92   0.02   0.02) =   0.053%
          HN    ALA   88 - HD2   PRO   52  16.85 +/- 3.60   2.684% *  0.3883% (0.25   0.02   0.02) =   0.017%
          HN    LEU   31 - HD2   PRO   52  25.48 +/- 3.29   0.445% *  1.5027% (0.97   0.02   0.02) =   0.011%
          HN    LYS+  38 - HD2   PRO   52  30.70 +/- 2.66   0.217% *  0.3082% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.54 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.8:
          HN    CYS   53 - HD2   PRO   52   2.28 +/- 0.02  99.322% * 99.4794% (0.61   8.19  55.84) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  16.34 +/- 3.86   0.442% *  0.1503% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  24.39 +/- 4.73   0.171% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.85 +/- 3.07   0.064% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.922, support = 1.48, residual support = 7.86:
          QB    CYS   50 - HB3   CYS   53   3.90 +/- 1.16  70.058% * 96.8280% (0.92   1.49   7.89) =  99.610%  kept
          HB3   ASN   69 - HB3   CYS   53  22.23 +/- 4.69  16.083% *  0.7970% (0.57   0.02   0.02) =   0.188%  kept
          QE    LYS+  74 - HB3   CYS   53  10.76 +/- 2.72   6.236% *  1.3316% (0.95   0.02   0.02) =   0.122%  kept
          HB3   ASP-  78 - HB3   CYS   53  12.64 +/- 5.04   6.457% *  0.7970% (0.57   0.02   0.02) =   0.076%
          HB2   PHE   72 - HB3   CYS   53  16.62 +/- 2.13   1.166% *  0.2465% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.19 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 = 7.89:
        T QB    CYS   50 - HB2   CYS   53   3.57 +/- 1.15  73.665% * 99.6254% (0.92 10.00   1.50   7.89) =  99.958%  kept
          HB3   ASN   69 - HB2   CYS   53  22.15 +/- 4.92  16.955% *  0.1389% (0.97  1.00   0.02   0.02) =   0.032%
          QE    LYS+  74 - HB2   CYS   53  10.63 +/- 2.72   4.311% *  0.1291% (0.90  1.00   0.02   0.02) =   0.008%
          HB3   ASP-  78 - HB2   CYS   53  12.50 +/- 4.94   4.213% *  0.0252% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB2   CYS   53  16.48 +/- 2.19   0.855% *  0.0815% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 1 structures by 0.25 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   4.25 +/- 1.87  66.324% * 41.1882% (0.95 10.00   0.02   0.02) =  94.920%  kept
          QB    ALA   91 - HA    CYS   53  10.10 +/- 3.25  15.006% *  3.9049% (0.90  1.00   0.02   0.02) =   2.036%  kept
        T HG13  ILE   19 - HA    CYS   53  21.46 +/- 3.90   1.258% * 24.6510% (0.57 10.00   0.02   0.02) =   1.077%  kept
        T HG    LEU   71 - HA    CYS   53  21.41 +/- 3.90   1.711% * 13.4389% (0.31 10.00   0.02   0.02) =   0.799%  kept
          QG2   THR   23 - HA    CYS   53  18.74 +/- 4.33   5.394% *  1.9521% (0.45  1.00   0.02   0.02) =   0.366%  kept
          HG2   LYS+  74 - HA    CYS   53  13.33 +/- 3.17   6.271% *  1.4852% (0.34  1.00   0.02   0.02) =   0.324%  kept
          QB    ALA   34 - HA    CYS   53  19.93 +/- 2.20   1.661% *  3.4865% (0.80  1.00   0.02   0.02) =   0.201%  kept
          QG2   THR   39 - HA    CYS   53  20.22 +/- 1.65   1.287% *  3.9049% (0.90  1.00   0.02   0.02) =   0.175%  kept
          HG3   LYS+  38 - HA    CYS   53  29.18 +/- 2.60   0.436% *  4.3541% (1.00  1.00   0.02   0.02) =   0.066%
          HG3   LYS+  99 - HA    CYS   53  25.57 +/- 2.13   0.653% *  1.6341% (0.38  1.00   0.02   0.02) =   0.037%
    Distance limit 3.38 A violated in 8 structures by 1.19 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   2.73 +/- 0.04  97.677% * 99.7861% (0.61  10.0   4.77  44.16) =  99.998%  kept
          HN    LEU   80 - HA    CYS   53  16.60 +/- 4.19   1.911% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HA    CYS   53  23.12 +/- 4.34   0.273% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.40 +/- 2.80   0.139% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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   2.74 +/- 0.44  98.259% * 99.7861% (0.61  10.0   4.91  44.16) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  15.14 +/- 3.86   1.163% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYS   53  21.96 +/- 4.10   0.388% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.87 +/- 2.56   0.190% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 5.45, residual support = 31.2:
          HN    ARG+  54 - HB2   CYS   53   3.24 +/- 0.45  74.695% * 94.2264% (0.97   5.52  31.70) =  98.475%  kept
          HN    PHE   55 - HB2   CYS   53   5.04 +/- 0.23  21.918% *  4.9217% (0.31   0.90   0.02) =   1.509%  kept
          HN    ASP-  62 - HB2   CYS   53  11.16 +/- 1.82   2.945% *  0.3345% (0.95   0.02   0.02) =   0.014%
          HN    LEU   31 - HB2   CYS   53  22.74 +/- 2.62   0.281% *  0.3172% (0.90   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   CYS   53  27.61 +/- 2.62   0.161% *  0.2002% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 5.52, residual support = 31.7:
          HN    ARG+  54 - HB3   CYS   53   3.76 +/- 0.43  94.461% * 99.1967% (0.87   5.52  31.70) =  99.987%  kept
          HN    ASP-  62 - HB3   CYS   53  11.27 +/- 2.05   4.625% *  0.2179% (0.53   0.02   0.02) =   0.011%
          HN    LYS+  38 - HB3   CYS   53  27.70 +/- 2.75   0.297% *  0.3997% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYS   53  22.87 +/- 2.98   0.617% *  0.1857% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 4.88, residual support = 168.3:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.85 +/- 0.20  83.438% * 97.6180% (0.87  10.0 10.00   4.90 168.99) =  99.611%  kept
          QB    ALA   57 - HD2   ARG+  54   6.62 +/- 1.47  14.063% *  2.2560% (0.20   1.0  1.00   2.03   0.52) =   0.388%  kept
          HD3   LYS+ 111 - HD2   ARG+  54  15.83 +/- 4.44   2.130% *  0.0251% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   ARG+  54  22.97 +/- 2.68   0.193% *  0.0505% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.11 +/- 3.61   0.176% *  0.0505% (0.45   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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.63, residual support = 168.3:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  92.990% * 80.9966% (0.87  10.0 10.00   3.63 168.99) =  99.544%  kept
          QB    PHE   55 - HD3   ARG+  54   6.31 +/- 0.98   2.773% *  6.7727% (0.49   1.0  1.00   2.98   4.16) =   0.248%  kept
          HB3   CYS   53 - HD3   ARG+  54   7.80 +/- 0.91   1.289% * 12.0979% (0.80   1.0  1.00   3.24  31.70) =   0.206%  kept
          HD3   PRO   93 - HD3   ARG+  54  11.24 +/- 2.97   2.409% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HD3   ARG+  54  12.17 +/- 1.91   0.420% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  20.97 +/- 5.02   0.120% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.63, residual support = 169.0:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.803% * 99.9131% (1.00  10.0 10.00   3.63 168.99) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  23.41 +/- 6.51   0.197% *  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 = 0.866, support = 3.71, residual support = 168.6:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.61 +/- 0.28  80.068% * 98.9062% (0.87  10.0 10.00   3.72 168.99) =  99.772%  kept
          QB    ALA   57 - HD3   ARG+  54   6.89 +/- 1.86  18.714% *  0.9661% (0.20   1.0  1.00   0.86   0.52) =   0.228%  kept
          HD3   LYS+ 111 - HD3   ARG+  54  16.07 +/- 4.50   0.951% *  0.0254% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  23.10 +/- 2.45   0.143% *  0.0511% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.06 +/- 4.07   0.124% *  0.0511% (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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 168.9:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.60 +/- 0.26  83.415% * 97.6350% (0.49  10.0 10.00   3.89 168.99) =  99.975%  kept
          HB3   PRO   58 - HD3   ARG+  54  10.93 +/- 3.50  11.248% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.011%
        T HG3   PRO   68 - HD3   ARG+  54  22.53 +/- 5.62   0.448% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   56 - HD3   ARG+  54   9.98 +/- 0.82   1.690% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HD3   ARG+  54  14.28 +/- 3.14   1.301% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD3   ARG+  54  19.42 +/- 4.79   0.388% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  18.45 +/- 3.33   0.403% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HD3   ARG+  54  25.10 +/- 4.67   0.338% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   ARG+  54  19.53 +/- 2.63   0.300% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   ARG+  54  26.93 +/- 4.12   0.151% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.46 +/- 2.53   0.139% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  31.52 +/- 4.68   0.073% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.83 +/- 3.07   0.106% *  0.0899% (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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 169.0:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.38 +/- 0.59  77.086% * 99.0727% (0.73  10.0   4.04 168.99) =  99.980%  kept
          HB2   PRO   93 - HD3   ARG+  54  10.69 +/- 2.24  14.200% *  0.0561% (0.41   1.0   0.02   0.02) =   0.010%
          HG3   GLN   30 - HD3   ARG+  54  25.38 +/- 4.85   0.985% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HD3   ARG+  54  25.22 +/- 4.56   0.864% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   ARG+  54  16.69 +/- 1.93   0.852% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HD3   ARG+  54  19.03 +/- 3.29   0.975% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HD3   ARG+  54  23.11 +/- 6.49   1.909% *  0.0379% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  15.17 +/- 3.22   1.255% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD3   ARG+  54  23.32 +/- 5.68   0.494% *  0.0883% (0.65   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HD3   ARG+  54  24.73 +/- 5.62   0.743% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  32.76 +/- 3.48   0.134% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.60 +/- 5.45   0.503% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 169.0:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  96.009% * 97.1361% (0.92  10.0 10.00   4.97 168.99) =  99.997%  kept
        T HG3   PRO   68 - HG3   ARG+  54  22.25 +/- 4.59   0.097% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   ARG+  54   9.13 +/- 0.94   0.771% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  26.19 +/- 4.03   0.043% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.62 +/- 1.47   2.022% *  0.0208% (0.20   1.0  1.00   0.02   1.92) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  18.05 +/- 3.42   0.135% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.05 +/- 4.38   0.129% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.91 +/- 2.76   0.125% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  21.21 +/- 2.65   0.062% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  13.85 +/- 3.53   0.416% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.76 +/- 2.77   0.054% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.05 +/- 2.95   0.036% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.30 +/- 4.50   0.079% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  30.86 +/- 4.20   0.022% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.13, residual support = 169.0:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.64 +/- 0.25  91.402% * 97.7423% (0.31  10.0   5.13 168.99) =  99.985%  kept
          HB2   GLN   17 - HG3   ARG+  54  22.57 +/- 5.65   1.260% *  0.2175% (0.69   1.0   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HG3   ARG+  54  14.82 +/- 3.58   0.890% *  0.2420% (0.76   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG3   ARG+  54  24.17 +/- 5.17   0.904% *  0.2175% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG3   ARG+  54  23.11 +/- 4.62   0.466% *  0.3104% (0.98   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HG3   ARG+  54  13.85 +/- 2.73   2.044% *  0.0627% (0.20   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HG3   ARG+  54  18.38 +/- 3.61   0.911% *  0.1189% (0.38   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   ARG+  54  16.19 +/- 1.66   0.487% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   ARG+  54  24.61 +/- 4.81   0.244% *  0.2840% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   ARG+  54  22.15 +/- 5.25   0.904% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.44 +/- 4.31   0.219% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  26.68 +/- 5.84   0.205% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.01 +/- 3.31   0.064% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 169.0:
      O   HA    ARG+  54 - HG3   ARG+  54   3.54 +/- 0.44  93.435% * 99.5710% (1.00  10.0   5.75 168.99) =  99.997%  kept
          HA    LEU  115 - HG3   ARG+  54  14.85 +/- 2.38   2.004% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   ARG+  54  19.97 +/- 4.30   0.942% *  0.0644% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HG3   ARG+  54  25.66 +/- 4.95   0.647% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  16.41 +/- 3.09   2.011% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  26.18 +/- 2.26   0.271% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.69 +/- 4.03   0.353% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  33.58 +/- 4.21   0.164% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  31.25 +/- 3.55   0.173% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.72, residual support = 169.0:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.61 +/- 0.28  98.693% * 99.9462% (0.76  10.0 10.00   3.72 168.99) =  99.999%  kept
          HB3   HIS   22 - HG3   ARG+  54  22.50 +/- 6.93   1.307% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 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 = 4.86, residual support = 162.9:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.85 +/- 0.20  71.005% * 77.1416% (0.87  10.0 10.00   4.90 168.99) =  96.058%  kept
          QB    PHE   55 - HG3   ARG+  54   5.43 +/- 1.23  17.019% *  7.9363% (0.49   1.0  1.00   3.67   4.16) =   2.369%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.81 +/- 0.91   6.044% * 14.7956% (0.80   1.0  1.00   4.16  31.70) =   1.568%  kept
          HD3   PRO   93 - HG3   ARG+  54  10.87 +/- 3.28   4.349% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG3   ARG+  54  11.61 +/- 1.47   1.234% *  0.0222% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  20.71 +/- 4.04   0.349% *  0.0503% (0.57   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 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.7, residual support = 169.0:
          HN    ARG+  54 - HG3   ARG+  54   3.60 +/- 0.66  94.718% * 99.3373% (0.87   6.70 168.99) =  99.990%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.59 +/- 2.43   4.296% *  0.1798% (0.53   0.02   0.02) =   0.008%
          HN    LEU   31 - HG3   ARG+  54  25.82 +/- 4.37   0.697% *  0.1532% (0.45   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG3   ARG+  54  30.43 +/- 4.10   0.289% *  0.3297% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.866, support = 4.97, residual support = 168.7:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  88.145% * 96.7826% (0.87  10.0 10.00   4.97 168.99) =  99.833%  kept
          QB    ALA   57 - HG2   ARG+  54   5.57 +/- 1.63  10.232% *  1.3711% (0.20   1.0  1.00   1.24   0.52) =   0.164%  kept
        T HB3   LEU  123 - HG3   PRO   68  14.82 +/- 5.35   0.634% *  0.1335% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  15.48 +/- 4.39   0.313% *  0.2484% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   PRO   68  15.06 +/- 3.05   0.262% *  0.1335% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  22.03 +/- 2.06   0.049% *  0.5002% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  22.25 +/- 4.59   0.089% *  0.2583% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.06 +/- 3.59   0.042% *  0.5002% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  24.25 +/- 4.28   0.070% *  0.0663% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  15.17 +/- 2.04   0.162% *  0.0059% (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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.161, support = 3.35, residual support = 36.2:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  69.266% * 33.8555% (0.12  10.0  1.00   2.31  36.23) =  59.729%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.54 +/- 0.29  25.057% * 63.0750% (0.22  10.0  1.00   4.89  36.23) =  40.255%  kept
          QB    GLU- 114 - HG2   ARG+  54  13.43 +/- 2.65   0.848% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - HG3   PRO   68  12.12 +/- 3.43   1.907% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HG2   ARG+  54  14.45 +/- 3.33   0.201% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   ARG+  54  22.09 +/- 5.50   0.174% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   ARG+  54  23.83 +/- 4.77   0.097% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   PRO   68  13.36 +/- 4.09   0.337% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG2   ARG+  54  21.76 +/- 4.79   0.169% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  24.11 +/- 3.83   0.044% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   ARG+  54  22.58 +/- 4.39   0.081% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  21.84 +/- 4.60   0.107% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.51 +/- 5.36   0.040% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  18.41 +/- 6.27   0.543% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  17.48 +/- 3.71   0.170% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.55 +/- 2.83   0.185% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  15.51 +/- 1.61   0.111% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.28 +/- 4.32   0.049% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.44 +/- 4.05   0.082% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  16.96 +/- 2.67   0.109% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  14.37 +/- 3.55   0.227% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  24.90 +/- 3.55   0.033% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  15.96 +/- 2.94   0.151% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  31.53 +/- 2.79   0.013% *  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 = 0.739, support = 4.85, residual support = 140.8:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.78 +/- 0.25  36.870% * 68.4174% (0.87  10.0 10.00   4.92 168.99) =  79.374%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.60 +/- 0.30  44.107% * 11.9159% (0.15  10.0  1.00   4.80  36.23) =  16.538%  kept
          QB    PHE   55 - HG2   ARG+  54   5.15 +/- 1.42  11.388% *  6.7585% (0.49   1.0  1.00   3.52   4.16) =   2.422%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.26 +/- 0.91   4.205% * 12.5684% (0.80   1.0  1.00   3.98  31.70) =   1.663%  kept
          HD3   PRO   93 - HG2   ARG+  54  10.64 +/- 2.94   1.439% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HG3   PRO   68  22.51 +/- 5.28   0.155% *  0.1826% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  10.89 +/- 1.29   0.700% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  20.14 +/- 3.84   0.148% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  20.96 +/- 3.78   0.222% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.91 +/- 4.43   0.211% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.38 +/- 2.66   0.419% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.45 +/- 2.82   0.135% *  0.0102% (0.13   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 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 169.0:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.60 +/- 0.26  99.461% * 99.7339% (0.31  10.0 10.00   3.89 168.99) =  99.999%  kept
        T HD3   ARG+  54 - HG3   PRO   68  22.53 +/- 5.62   0.539% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 168.9:
      O T HA    ARG+  54 - HG2   ARG+  54   2.90 +/- 0.72  81.437% * 97.8074% (1.00  10.0 10.00   5.69 168.99) =  99.974%  kept
        T HA    LEU  115 - HG2   ARG+  54  14.25 +/- 2.30   1.319% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LYS+  81 - HG2   ARG+  54  19.72 +/- 4.43   0.642% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ARG+  54 - HG3   PRO   68  20.39 +/- 4.17   1.498% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU  115 - HG3   PRO   68  15.94 +/- 3.40   1.508% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  124 - HG3   PRO   68  14.76 +/- 6.32   3.467% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  25.91 +/- 3.60   0.300% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG3   PRO   68  14.67 +/- 3.07   2.437% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.97 +/- 5.89   2.935% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  15.87 +/- 3.06   1.124% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.47 +/- 4.46   0.270% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  19.94 +/- 4.31   0.978% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  25.50 +/- 2.12   0.172% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  18.75 +/- 3.57   0.745% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.31 +/- 3.56   0.189% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  33.23 +/- 3.69   0.094% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  19.39 +/- 3.96   0.777% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.81 +/- 3.06   0.108% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.61, residual support = 169.0:
          HN    ARG+  54 - HG2   ARG+  54   3.32 +/- 0.41  89.093% * 99.0716% (0.87   6.62 168.99) =  99.986%  kept
          HN    ASP-  62 - HG2   ARG+  54  11.86 +/- 2.23   3.505% *  0.1817% (0.53   0.02   0.02) =   0.007%
          HN    LYS+  38 - HG3   PRO   68  15.39 +/- 3.49   2.306% *  0.0889% (0.26   0.02   0.02) =   0.002%
          HN    ASP-  62 - HG3   PRO   68  12.01 +/- 1.79   2.551% *  0.0485% (0.14   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  25.57 +/- 3.90   0.385% *  0.1548% (0.45   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  30.04 +/- 3.63   0.177% *  0.3332% (0.97   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   PRO   68  21.73 +/- 4.03   0.710% *  0.0799% (0.23   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   PRO   68  17.73 +/- 3.63   1.272% *  0.0413% (0.12   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.961, support = 0.348, residual support = 0.506:
          QB    ALA   57 - HB3   ARG+  54   5.77 +/- 1.45  60.749% * 81.0845% (0.97   0.36   0.52) =  97.569%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.56 +/- 4.25  10.911% *  4.6242% (0.98   0.02   0.02) =   0.999%  kept
          HD2   LYS+  74 - HB3   ARG+  54  15.42 +/- 3.53  14.209% *  3.4257% (0.73   0.02   0.02) =   0.964%  kept
          QD    LYS+  33 - HB3   ARG+  54  25.23 +/- 3.88   1.626% *  4.5529% (0.97   0.02   0.02) =   0.147%  kept
          HB3   LEU  123 - HB3   ARG+  54  22.24 +/- 2.11   1.488% *  4.5529% (0.97   0.02   0.02) =   0.134%  kept
          QD    LYS+  65 - HB3   ARG+  54  14.74 +/- 3.72   7.883% *  0.8262% (0.18   0.02   0.02) =   0.129%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  19.73 +/- 2.23   3.135% *  0.9336% (0.20   0.02   0.02) =   0.058%
    Distance limit 3.16 A violated in 13 structures by 2.44 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.38, residual support = 169.0:
      O   HN    ARG+  54 - HB3   ARG+  54   2.98 +/- 0.69  95.546% * 99.7769% (0.87  10.0   5.38 168.99) =  99.997%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.27 +/- 2.28   4.006% *  0.0605% (0.53   1.0   0.02   0.02) =   0.003%
          HN    LYS+  38 - HB3   ARG+  54  30.08 +/- 3.92   0.158% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  25.56 +/- 4.29   0.291% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.62, residual support = 169.0:
      O   HN    ARG+  54 - HB2   ARG+  54   2.63 +/- 0.50  93.528% * 99.6984% (0.87  10.0   6.62 168.99) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.35 +/- 2.19   1.852% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB2   GLU-  14  14.32 +/- 3.90   1.654% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.09 +/- 3.62   0.736% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  30.15 +/- 3.64   0.084% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  25.62 +/- 3.96   0.154% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  18.87 +/- 6.14   0.761% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.40 +/- 2.81   0.420% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.59 +/- 4.97   0.294% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.55 +/- 5.08   0.158% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  24.73 +/- 5.14   0.243% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  32.08 +/- 7.02   0.117% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.246, support = 1.52, residual support = 28.4:
          QE    PHE   59 - HA    LEU  115   2.88 +/- 0.97  60.987% * 70.4845% (0.25   1.58  29.39) =  96.058%  kept
          QD    PHE   60 - HA    LEU  115   8.41 +/- 1.74   9.906% *  9.9738% (0.17   0.32   0.02) =   2.208%  kept
          HN    PHE   59 - HA    LEU  115   8.24 +/- 1.60   4.229% *  7.2425% (0.13   0.32  29.39) =   0.684%  kept
          QD    PHE   60 - HA    ARG+  54   7.23 +/- 2.18  10.054% *  2.0565% (0.57   0.02   0.02) =   0.462%  kept
          HN    PHE   59 - HA    ARG+  54   7.85 +/- 1.36  10.056% *  1.4934% (0.41   0.02   0.02) =   0.336%  kept
          QE    PHE   59 - HA    ARG+  54  10.99 +/- 1.39   1.959% *  2.9087% (0.80   0.02   0.02) =   0.127%  kept
          HN    LYS+  66 - HA    ARG+  54  15.20 +/- 2.59   1.123% *  3.5605% (0.98   0.02   0.02) =   0.089%
          HN    LYS+  66 - HA    LEU  115  13.13 +/- 2.26   0.987% *  1.0956% (0.30   0.02   0.02) =   0.024%
          HN    LYS+  81 - HA    ARG+  54  20.14 +/- 4.39   0.478% *  0.9058% (0.25   0.02   0.02) =   0.010%
          HN    LYS+  81 - HA    LEU  115  22.99 +/- 2.87   0.221% *  0.2787% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.879, support = 6.16, residual support = 147.3:
      O   HN    ARG+  54 - HA    ARG+  54   2.74 +/- 0.06  63.781% * 75.5578% (0.97  10.0   6.59 168.99) =  86.846%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.51 +/- 0.04  30.198% * 24.1648% (0.31  10.0   3.31   4.16) =  13.150%  kept
          HN    ASP-  62 - HA    ARG+  54  10.43 +/- 2.10   2.002% *  0.0741% (0.95   1.0   0.02   0.02) =   0.003%
          HN    ASP-  62 - HA    LEU  115  10.50 +/- 1.37   1.612% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  13.47 +/- 1.99   0.709% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.06 +/- 3.82   0.125% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.18 +/- 2.03   1.019% *  0.0074% (0.09   1.0   0.02   5.76) =   0.000%
          HN    LEU   31 - HA    LEU  115  20.22 +/- 3.90   0.277% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  28.41 +/- 3.56   0.068% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  21.87 +/- 3.64   0.207% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.564, support = 4.3, residual support = 21.3:
          HN    ILE   56 - QB    PHE   55   2.94 +/- 0.38  79.669% * 93.5817% (0.57   4.33  21.41) =  99.448%  kept
          QE    PHE   60 - QB    PHE   55   8.34 +/- 2.69  12.337% *  2.4131% (0.25   0.25   0.02) =   0.397%  kept
          HN    LYS+ 111 - QB    PHE   55   9.18 +/- 3.83   5.315% *  1.9343% (0.22   0.23   0.02) =   0.137%  kept
          HN    LEU   63 - QB    PHE   55  12.01 +/- 1.01   1.423% *  0.5249% (0.69   0.02   0.02) =   0.010%
          HZ2   TRP   87 - QB    PHE   55  19.81 +/- 2.94   0.428% *  0.6383% (0.84   0.02   0.02) =   0.004%
          HD21  ASN   28 - QB    PHE   55  22.37 +/- 3.32   0.308% *  0.7375% (0.97   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  18.69 +/- 3.14   0.520% *  0.1701% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 3.03, residual support = 20.7:
      O   HN    PHE   55 - QB    PHE   55   2.06 +/- 0.12  89.346% * 87.2105% (0.73  10.0   3.03  20.93) =  98.458%  kept
          HN    ARG+  54 - QB    PHE   55   4.33 +/- 0.23   9.748% * 12.5090% (0.61   1.0   3.43   4.16) =   1.541%  kept
          HN    ASP-  62 - QB    PHE   55  10.99 +/- 0.77   0.633% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.09 +/- 2.58   0.075% *  0.1159% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.78 +/- 3.12   0.151% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.42 +/- 2.40   0.047% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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   7.82 +/- 1.76  73.611% * 36.5548% (0.90   0.02   0.02) =  83.270%  kept
          HN    LYS+  81 - QB    PHE   55  19.98 +/- 3.74   7.028% * 40.3993% (0.99   0.02   0.02) =   8.787%  kept
          HN    LYS+  66 - QB    PHE   55  15.43 +/- 1.26  12.891% * 16.7569% (0.41   0.02   0.02) =   6.685%  kept
          HE3   TRP   27 - QB    PHE   55  19.45 +/- 2.54   6.469% *  6.2891% (0.15   0.02   0.02) =   1.259%  kept
    Distance limit 3.33 A violated in 19 structures by 4.42 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.254, support = 5.89, residual support = 122.0:
      O   HN    ILE   56 - HB    ILE   56   3.43 +/- 0.34  79.349% * 91.3813% (0.25  10.0   5.97 123.83) =  98.475%  kept
          QE    PHE   60 - HB    ILE   56   8.08 +/- 2.25  14.301% *  7.7805% (0.57   1.0   0.75   4.20) =   1.511%  kept
          HN    LEU   63 - HB    ILE   56  10.01 +/- 1.80   5.499% *  0.1250% (0.34   1.0   0.02   0.02) =   0.009%
          HZ2   TRP   87 - HB    ILE   56  21.01 +/- 2.85   0.443% *  0.3665% (1.00   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB    ILE   56  23.09 +/- 3.88   0.407% *  0.3467% (0.95   1.0   0.02   0.02) =   0.002%
    Distance limit 3.30 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.498, support = 2.31, residual support = 17.0:
          QD    PHE   55 - HB    ILE   56   4.12 +/- 0.98  60.475% * 61.4517% (0.41   2.72  21.41) =  79.238%  kept
          QE    PHE   95 - HB    ILE   56   6.69 +/- 2.07  28.051% * 34.3844% (0.84   0.75   0.38) =  20.565%  kept
          HN    LEU   67 - HB    ILE   56  15.08 +/- 2.08   2.844% *  1.0880% (0.99   0.02   0.02) =   0.066%
          HD2   HIS   22 - HB    ILE   56  21.14 +/- 6.40   3.621% *  0.6658% (0.61   0.02   0.02) =   0.051%
          HD1   TRP   49 - HB    ILE   56  14.73 +/- 1.51   1.978% *  0.8389% (0.76   0.02   0.02) =   0.035%
          HN    THR   23 - HB    ILE   56  20.86 +/- 5.08   1.661% *  0.9522% (0.87   0.02   0.02) =   0.034%
          HE3   TRP   27 - HB    ILE   56  19.29 +/- 3.19   1.049% *  0.3745% (0.34   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB    ILE   56  27.90 +/- 3.78   0.320% *  0.2444% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.62, residual support = 123.8:
      O T QD1   ILE   56 - HB    ILE   56   2.84 +/- 0.42  95.787% * 99.4902% (0.87  10.0 10.00   4.62 123.83) =  99.993%  kept
        T QD2   LEU  123 - HB    ILE   56  13.13 +/- 2.49   1.654% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - HB    ILE   56  14.40 +/- 3.74   1.535% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB    ILE   56  15.90 +/- 1.53   0.723% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  22.38 +/- 3.60   0.301% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.03, residual support = 123.8:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  95.448% * 98.2187% (0.87  10.0 10.00   4.04 123.83) =  99.971%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.63 +/- 3.32   3.514% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.026%
        T HG3   LYS+ 121 - QG1   ILE   56  13.25 +/- 1.07   0.310% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - QG1   ILE   56  11.29 +/- 1.67   0.585% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.62 +/- 3.15   0.143% *  0.0508% (0.45   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 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.05, residual support = 123.8:
        T QG2   ILE   56 - QD1   ILE   56   2.26 +/- 0.66  92.726% * 98.5057% (0.72 10.00   5.05 123.83) =  99.990%  kept
        T QB    ALA   34 - QD1   ILE   56  15.12 +/- 2.07   0.515% *  1.1899% (0.87 10.00   0.02   0.02) =   0.007%
          QG2   THR   23 - QD1   ILE   56  15.82 +/- 3.64   1.130% *  0.1263% (0.93  1.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QD1   ILE   56  10.64 +/- 2.46   2.064% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56   9.79 +/- 2.69   2.864% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.01 +/- 1.92   0.526% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  21.87 +/- 2.42   0.175% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.855, support = 1.74, residual support = 1.38:
          QB    ALA  110 - QD1   ILE   56   6.95 +/- 3.11  21.355% * 45.8518% (0.85  1.00   1.88   1.76) =  55.508%  kept
          QB    ALA   61 - QD1   ILE   56   6.62 +/- 1.05  14.880% * 46.6119% (0.94  1.00   1.72   1.00) =  39.319%  kept
          HB3   LEU  115 - QD1   ILE   56   5.19 +/- 1.61  27.519% *  2.8115% (0.21  1.00   0.46   0.15) =   4.386%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.48 +/- 1.37   2.498% *  1.5140% (0.26 10.00   0.02   0.02) =   0.214%  kept
          QG    LYS+  66 - QD1   ILE   56  10.93 +/- 2.08   6.005% *  0.4723% (0.82  1.00   0.02   0.02) =   0.161%  kept
          HB3   LEU   67 - QD1   ILE   56  12.71 +/- 2.55   4.847% *  0.5338% (0.93  1.00   0.02   0.02) =   0.147%  kept
          HB3   LYS+  74 - QD1   ILE   56  12.10 +/- 3.42   9.369% *  0.1358% (0.24  1.00   0.02   0.02) =   0.072%
          HG    LEU   73 - QD1   ILE   56  13.77 +/- 3.41   3.115% *  0.3740% (0.65  1.00   0.02   0.02) =   0.066%
          HG12  ILE   19 - QD1   ILE   56  15.78 +/- 3.00   1.768% *  0.4548% (0.79  1.00   0.02   0.02) =   0.046%
          HG    LEU   80 - QD1   ILE   56  17.82 +/- 4.36   0.946% *  0.5027% (0.87  1.00   0.02   0.02) =   0.027%
          HG    LEU   67 - QD1   ILE   56  13.08 +/- 2.49   3.943% *  0.0840% (0.15  1.00   0.02   0.02) =   0.019%
          HG    LEU   40 - QD1   ILE   56  14.14 +/- 2.08   2.391% *  0.1212% (0.21  1.00   0.02   0.02) =   0.016%
          HB2   LEU   80 - QD1   ILE   56  17.02 +/- 3.69   0.962% *  0.2239% (0.39  1.00   0.02   0.02) =   0.012%
          HG2   LYS+ 102 - QD1   ILE   56  20.98 +/- 1.86   0.401% *  0.3083% (0.54  1.00   0.02   0.02) =   0.007%
    Distance limit 3.25 A violated in 6 structures by 1.15 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.04, residual support = 123.8:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  94.206% * 98.9931% (0.85  10.0 10.00   4.04 123.83) =  99.993%  kept
        T HB2   LEU   73 - QD1   ILE   56  13.21 +/- 3.42   0.705% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - QD1   ILE   56   9.01 +/- 3.14   2.328% *  0.0341% (0.29   1.0  1.00   0.02   1.79) =   0.001%
          HB3   MET   92 - QD1   ILE   56   9.53 +/- 3.04   1.722% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   ILE   56  12.38 +/- 2.17   0.449% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.27 +/- 1.75   0.165% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.60 +/- 2.59   0.299% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.74 +/- 1.63   0.125% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.6, residual support = 122.8:
      O T HB    ILE   56 - QD1   ILE   56   2.84 +/- 0.42  83.837% * 89.7560% (0.72  10.0 10.00   4.62 123.83) =  99.140%  kept
          HB3   PRO   58 - QD1   ILE   56   6.70 +/- 0.70   7.356% *  8.7032% (0.85   1.0  1.00   1.65   0.02) =   0.843%  kept
        T HB3   GLN   30 - QD1   ILE   56  17.36 +/- 3.00   0.593% *  1.1641% (0.94   1.0 10.00   0.02   0.02) =   0.009%
          HB2   MET   92 - QD1   ILE   56  10.58 +/- 2.99   3.461% *  0.1164% (0.94   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+ 106 - QD1   ILE   56  11.48 +/- 2.11   1.908% *  0.0401% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  21.14 +/- 2.72   0.298% *  0.1053% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.84 +/- 3.39   0.862% *  0.0362% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  15.51 +/- 3.01   0.948% *  0.0293% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.86 +/- 2.61   0.501% *  0.0232% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  25.68 +/- 5.17   0.236% *  0.0261% (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 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.68, residual support = 7.57:
        T HA    LYS+ 112 - QD1   ILE   56   5.29 +/- 2.77  54.678% * 99.8359% (0.79 10.00   1.68   7.57) =  99.956%  kept
          HB    THR   46 - QD1   ILE   56   8.54 +/- 2.75  23.047% *  0.0439% (0.29  1.00   0.02   0.02) =   0.019%
          HB2   HIS  122 - QD1   ILE   56  11.83 +/- 1.20  12.392% *  0.0806% (0.54  1.00   0.02   0.02) =   0.018%
          HB2   HIS   22 - QD1   ILE   56  17.34 +/- 4.93   9.883% *  0.0396% (0.26  1.00   0.02   0.02) =   0.007%
    Distance limit 3.29 A violated in 9 structures by 2.20 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.805, support = 3.21, residual support = 16.1:
          HA    PHE   55 - QD1   ILE   56   4.74 +/- 1.09  49.151% * 67.3967% (0.76   3.85  21.41) =  73.114%  kept
          HA    ALA  110 - QD1   ILE   56   7.92 +/- 4.22  38.216% * 31.8195% (0.94   1.47   1.76) =  26.839%  kept
          HA    VAL  107 - QD1   ILE   56   9.79 +/- 2.64   5.420% *  0.1640% (0.36   0.02   0.02) =   0.020%
          HA    GLN   90 - QD1   ILE   56  14.74 +/- 2.76   1.518% *  0.4134% (0.89   0.02   0.02) =   0.014%
          HA    ALA   91 - QD1   ILE   56  12.72 +/- 2.91   3.072% *  0.1090% (0.24   0.02   0.02) =   0.007%
          HA    VAL   42 - QD1   ILE   56  11.88 +/- 1.68   2.622% *  0.0973% (0.21   0.02   0.02) =   0.006%
    Distance limit 3.16 A violated in 1 structures by 0.74 A, kept.
 
    Peak 2692 (6.90, 0.79, 56.43 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.40 +/- 1.55 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.46 A violated in 20 structures by 6.93 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.293, support = 1.56, residual support = 20.2:
          HN    PHE   59 - QD1   ILE   56   4.27 +/- 0.37  92.472% * 93.0867% (0.29   1.56  20.24) =  99.703%  kept
          HN    HIS  122 - QD1   ILE   56  11.15 +/- 0.84   5.524% *  3.3492% (0.82   0.02   0.02) =   0.214%  kept
          HH2   TRP   87 - QD1   ILE   56  17.43 +/- 3.09   2.004% *  3.5642% (0.87   0.02   0.02) =   0.083%
    Distance limit 3.56 A violated in 0 structures by 0.71 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.57, residual support = 31.5:
          HN    ALA   57 - QD1   ILE   56   3.50 +/- 0.91  75.114% * 98.3552% (0.42   4.58  31.57) =  99.870%  kept
          HE21  GLN  116 - QD1   ILE   56   7.96 +/- 2.30  23.277% *  0.3598% (0.36   0.02   0.02) =   0.113%  kept
          HE21  GLN   90 - QD1   ILE   56  17.76 +/- 3.11   1.185% *  0.9252% (0.91   0.02   0.02) =   0.015%
          HD21  ASN   35 - QD1   ILE   56  22.50 +/- 3.34   0.425% *  0.3598% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.288, support = 5.14, residual support = 102.8:
          HN    ILE   56 - QD1   ILE   56   3.17 +/- 0.80  62.880% * 66.0973% (0.24   5.97 123.83) =  82.430%  kept
          QE    PHE   60 - QD1   ILE   56   5.67 +/- 2.29  27.679% * 31.8721% (0.54   1.27   4.20) =  17.496%  kept
          HN    LEU   63 - QD1   ILE   56   7.85 +/- 1.33   7.867% *  0.3029% (0.32   0.02   0.02) =   0.047%
          HD21  ASN   28 - QD1   ILE   56  18.53 +/- 3.57   1.037% *  0.8399% (0.89   0.02   0.02) =   0.017%
          HZ2   TRP   87 - QD1   ILE   56  17.21 +/- 2.91   0.537% *  0.8878% (0.95   0.02   0.02) =   0.009%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.71, residual support = 7.54:
          HN    LYS+ 112 - QD1   ILE   56   6.63 +/- 3.04  64.541% * 97.3955% (0.50   1.72   7.57) =  99.571%  kept
          HN    ASP-  78 - QD1   ILE   56  13.57 +/- 3.51  10.511% *  1.3917% (0.61   0.02   0.02) =   0.232%  kept
          HN    VAL   75 - QD1   ILE   56  11.24 +/- 2.42  22.922% *  0.4790% (0.21   0.02   0.02) =   0.174%  kept
          HN    MET   11 - QD1   ILE   56  26.05 +/- 5.34   2.026% *  0.7338% (0.32   0.02   0.02) =   0.024%
    Distance limit 3.81 A violated in 11 structures by 2.28 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   2.88 +/- 0.63  91.623% * 99.8494% (0.38 10.00   3.00  20.24) =  99.986%  kept
          HB2   PHE   95 - QG1   ILE   56   8.30 +/- 2.06   8.377% *  0.1506% (0.57  1.00   0.02   0.38) =   0.014%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.386, support = 2.69, residual support = 20.2:
        T HB2   PHE   59 - QG1   ILE   56   3.61 +/- 0.76  48.500% * 70.2263% (0.34 10.00   2.48  20.24) =  83.823%  kept
          QB    PHE   55 - QG1   ILE   56   4.87 +/- 0.84  25.059% * 24.8649% (0.61  1.00   3.98  21.41) =  15.335%  kept
          HB3   CYS   53 - QG1   ILE   56   6.91 +/- 1.34  10.690% *  1.8257% (0.90  1.00   0.20   0.02) =   0.480%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.88 +/- 1.36   4.679% *  2.7922% (0.95  1.00   0.29   0.02) =   0.322%  kept
          HD3   PRO   93 - QG1   ILE   56   9.03 +/- 2.99   9.933% *  0.1495% (0.73  1.00   0.02   0.02) =   0.037%
          HD3   PRO   68 - QG1   ILE   56  14.00 +/- 2.09   1.138% *  0.1414% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 4.18 A violated in 0 structures by 0.02 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  10.49 +/- 1.33 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.04 A violated in 20 structures by 6.45 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.2:
          QD    PHE   59 - QG1   ILE   56   3.67 +/- 0.56  92.923% * 96.4387% (0.34   1.97  20.24) =  99.909%  kept
          HN    HIS  122 - QG1   ILE   56  11.28 +/- 0.98   3.842% *  1.1817% (0.41   0.02   0.02) =   0.051%
          HD1   TRP   27 - QG1   ILE   56  18.06 +/- 3.50   2.195% *  0.9805% (0.34   0.02   0.02) =   0.024%
          HH2   TRP   87 - QG1   ILE   56  18.30 +/- 2.77   1.040% *  1.3991% (0.49   0.02   0.02) =   0.016%
    Distance limit 3.80 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.251, support = 4.99, residual support = 123.3:
      O   HN    ILE   56 - HA    ILE   56   2.82 +/- 0.18  84.778% * 96.3461% (0.25  10.0   5.01 123.83) =  99.571%  kept
          QE    PHE   60 - HA    ILE   56   8.17 +/- 2.29  12.523% *  2.7702% (0.57   1.0   0.25   4.20) =   0.423%  kept
          HN    LEU   63 - HA    ILE   56  10.23 +/- 1.25   2.163% *  0.1318% (0.34   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HA    ILE   56  23.55 +/- 4.37   0.327% *  0.3655% (0.95   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    ILE   56  21.99 +/- 2.87   0.209% *  0.3864% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.943, support = 5.04, residual support = 25.2:
        T HD2   PRO   58 - QB    ALA   57   2.46 +/- 0.54  70.455% * 97.5780% (0.95 10.00   5.07  25.37) =  99.460%  kept
          HB2   CYS   53 - QB    ALA   57   5.29 +/- 2.00  28.918% *  1.2800% (0.34  1.00   0.73   0.02) =   0.536%  kept
        T HA    VAL   83 - QB    ALA   57  18.09 +/- 2.73   0.266% *  1.0111% (0.98 10.00   0.02   0.02) =   0.004%
          HA    GLU- 100 - QB    ALA   57  21.75 +/- 1.80   0.139% *  0.1022% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.00 +/- 2.88   0.221% *  0.0287% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.85, residual support = 24.1:
      O   HN    ALA   57 - QB    ALA   57   2.75 +/- 0.45  80.575% * 98.4865% (0.18  10.0   4.85  24.16) =  99.958%  kept
          HE21  GLN  116 - QB    ALA   57  10.48 +/- 2.78  15.198% *  0.1252% (0.22   1.0   0.02   0.02) =   0.024%
          HN    ALA  120 - QB    ALA   57  12.11 +/- 1.60   1.709% *  0.3184% (0.57   1.0   0.02   0.02) =   0.007%
          HE21  GLN   17 - QB    ALA   57  16.48 +/- 3.33   0.976% *  0.4084% (0.73   1.0   0.02   0.02) =   0.005%
          HN    ALA  124 - QB    ALA   57  16.45 +/- 1.82   0.570% *  0.4697% (0.84   1.0   0.02   0.02) =   0.003%
          HN    LEU  123 - QB    ALA   57  14.11 +/- 1.81   0.972% *  0.1918% (0.34   1.0   0.02   0.02) =   0.002%
    Distance limit 2.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.45, residual support = 24.2:
      O   HN    ALA   57 - HA    ALA   57   2.62 +/- 0.23  96.324% * 99.6015% (0.57  10.0   4.45  24.16) =  99.996%  kept
          HE21  GLN  116 - HA    ALA   57  11.97 +/- 2.66   2.217% *  0.1138% (0.65   1.0   0.02   0.02) =   0.003%
          HN    ALA  120 - HA    ALA   57  13.64 +/- 0.81   0.739% *  0.1698% (0.97   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA   57  18.88 +/- 3.84   0.457% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.16 +/- 1.20   0.263% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 24.2:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.01  81.588% * 98.9094% (0.53  10.0 10.00   2.81  24.16) =  99.988%  kept
          HG3   PRO   93 - HA    ALA   57   9.00 +/- 3.97  14.904% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HA    ALA   57  11.46 +/- 3.02   1.119% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HA    ALA   57  10.74 +/- 1.99   1.040% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    ALA   57  15.06 +/- 1.20   0.260% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    ALA   57  15.24 +/- 3.33   0.341% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  19.57 +/- 2.91   0.130% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  23.03 +/- 3.28   0.078% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.51 +/- 1.24   0.159% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.59 +/- 3.21   0.124% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  16.85 +/- 1.41   0.182% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.15 +/- 2.57   0.075% *  0.0580% (0.31   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 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.581, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  24.12 +/- 3.98  11.253% * 37.3861% (1.00   0.02   0.02) =  32.267%  kept
          HN    CYS   53 - HB2   PRO   58  11.90 +/- 1.68  52.956% *  5.7685% (0.15   0.02   0.02) =  23.429%  kept
          HN    ALA   34 - HB2   PRO   58  22.71 +/- 3.67  13.661% * 15.3699% (0.41   0.02   0.02) =  16.104%  kept
          HN    LEU   80 - HB2   PRO   58  20.75 +/- 3.94  16.026% * 11.5391% (0.31   0.02   0.02) =  14.183%  kept
          HN    SER   85 - HB2   PRO   58  24.71 +/- 3.10   6.105% * 29.9364% (0.80   0.02   0.02) =  14.016%  kept
    Distance limit 4.05 A violated in 20 structures by 7.30 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 6.23, residual support = 39.9:
      O   HN    PHE   59 - HB3   PRO   58   3.97 +/- 0.24  68.283% * 89.1302% (0.61  10.0   6.30  39.92) =  98.716%  kept
          QE    PHE   59 - HB3   PRO   58   8.66 +/- 0.54   6.963% * 10.1647% (0.83   1.0   1.67  39.92) =   1.148%  kept
          QD    PHE   60 - HB3   PRO   58   7.29 +/- 0.94  13.593% *  0.5681% (0.23   1.0   0.33   0.02) =   0.125%  kept
          HN    LYS+  66 - HB3   PRO   58  10.52 +/- 2.04   5.189% *  0.0938% (0.64   1.0   0.02   0.02) =   0.008%
          HN    HIS  122 - HB3   PRO   58  12.68 +/- 2.67   5.563% *  0.0243% (0.17   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   PRO   58  24.06 +/- 3.41   0.409% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.9:
      O   HD2   PRO   58 - HG3   PRO   58   2.50 +/- 0.27  95.491% * 99.7269% (0.95  10.0   5.39 147.91) =  99.998%  kept
          HB2   CYS   53 - HG3   PRO   58   9.79 +/- 1.91   4.132% *  0.0360% (0.34   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   PRO   58  24.96 +/- 3.20   0.128% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  26.97 +/- 2.85   0.100% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  25.62 +/- 3.55   0.150% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 147.9:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  91.458% * 99.2991% (0.76  10.0   4.50 147.91) =  99.990%  kept
          HA    THR   46 - HG3   PRO   58  13.19 +/- 2.55   3.293% *  0.1254% (0.97   1.0   0.02   0.02) =   0.005%
          HA    GLN   17 - HG3   PRO   58  18.31 +/- 3.51   1.690% *  0.1199% (0.92   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HG3   PRO   58  22.16 +/- 2.63   0.656% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  16.95 +/- 1.74   1.268% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  20.78 +/- 2.46   0.727% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   58  25.81 +/- 4.88   0.514% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  27.14 +/- 3.69   0.395% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.64, residual support = 25.3:
          HN    ALA   57 - HD2   PRO   58   2.52 +/- 1.11  75.346% * 98.6022% (0.54   5.64  25.37) =  99.865%  kept
          HE21  GLN  116 - HD2   PRO   58  10.32 +/- 2.79  20.983% *  0.3992% (0.61   0.02   0.02) =   0.113%  kept
          HN    ALA  120 - HD2   PRO   58  12.46 +/- 1.74   2.350% *  0.5955% (0.91   0.02   0.02) =   0.019%
          HN    ALA  124 - HD2   PRO   58  17.67 +/- 2.20   0.630% *  0.2316% (0.36   0.02   0.02) =   0.002%
          HE21  GLN   17 - HD2   PRO   58  19.82 +/- 3.72   0.691% *  0.1716% (0.26   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.9:
      O   HA    PRO   58 - HD3   PRO   58   3.92 +/- 0.09  61.404% * 99.2639% (0.72  10.0   6.52 147.91) =  99.985%  kept
          HA    THR   46 - HD3   PRO   58  11.45 +/- 2.51   3.549% *  0.1254% (0.91   1.0   0.02   0.02) =   0.007%
          HA    GLN   17 - HD3   PRO   58  17.96 +/- 3.22   0.959% *  0.1199% (0.87   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HD3   PRO   58  15.47 +/- 1.83   1.165% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  21.72 +/- 2.41   0.437% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  19.73 +/- 2.40   0.569% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  25.49 +/- 4.86   0.387% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68  11.44 +/- 5.07   6.213% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HD3   PRO   58  26.44 +/- 3.18   0.250% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  12.85 +/- 3.46   6.497% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.39 +/- 2.34   7.694% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.84 +/- 3.30   2.458% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.56 +/- 2.75   1.869% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  13.91 +/- 1.94   1.843% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.26 +/- 1.91   3.342% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.41 +/- 3.28   1.365% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.99, residual support = 25.3:
          HN    ALA   57 - HD3   PRO   58   2.58 +/- 0.94  75.607% * 97.9316% (0.54   4.00  25.37) =  99.895%  kept
          HE21  GLN  116 - HD3   PRO   58   9.81 +/- 2.47  10.432% *  0.5597% (0.61   0.02   0.02) =   0.079%
          HN    ALA  120 - HD3   PRO   58  11.88 +/- 1.43   1.740% *  0.8350% (0.91   0.02   0.02) =   0.020%
          HN    ALA  124 - HD3   PRO   58  17.25 +/- 1.88   0.557% *  0.3247% (0.36   0.02   0.02) =   0.002%
          HE21  GLN   17 - HD3   PRO   58  19.64 +/- 3.52   0.413% *  0.2406% (0.26   0.02   0.02) =   0.001%
          HN    ALA  124 - HD2   PRO   68  14.64 +/- 5.66   5.012% *  0.0144% (0.02   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   68  13.97 +/- 3.79   1.719% *  0.0370% (0.04   0.02   0.02) =   0.001%
          HN    ALA   57 - HD2   PRO   68  16.20 +/- 2.10   1.489% *  0.0217% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  16.18 +/- 3.52   1.027% *  0.0248% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  14.07 +/- 4.11   2.005% *  0.0106% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.4:
          QB    ALA   57 - HD3   PRO   58   3.06 +/- 0.78  70.874% * 96.7335% (0.87   3.30  25.37) =  99.937%  kept
          HD3   LYS+ 111 - HD3   PRO   58  14.73 +/- 3.14   1.765% *  0.5698% (0.85   0.02   0.02) =   0.015%
          HD2   LYS+  74 - HD3   PRO   58  13.50 +/- 2.82   1.586% *  0.6298% (0.94   0.02   0.02) =   0.015%
          QD    LYS+  65 - HD3   PRO   58  11.01 +/- 1.84   3.120% *  0.3093% (0.46   0.02   0.02) =   0.014%
          HB2   LYS+ 121 - HD3   PRO   58  13.92 +/- 1.68   1.162% *  0.3343% (0.50   0.02   0.02) =   0.006%
          HB3   LEU  123 - HD3   PRO   58  15.45 +/- 2.04   0.832% *  0.4110% (0.61   0.02   0.02) =   0.005%
          QD    LYS+  33 - HD3   PRO   58  21.46 +/- 3.30   0.346% *  0.4110% (0.61   0.02   0.02) =   0.002%
          HB    VAL   83 - HD3   PRO   58  21.90 +/- 3.38   0.365% *  0.2612% (0.39   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   68  12.43 +/- 4.23   5.088% *  0.0148% (0.02   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD2   PRO   68  12.20 +/- 2.68   2.417% *  0.0279% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   8.97 +/- 1.32   4.658% *  0.0137% (0.02   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  23.61 +/- 3.18   0.282% *  0.1767% (0.26   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   PRO   68  14.03 +/- 1.86   1.349% *  0.0260% (0.04   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   68  14.97 +/- 4.88   1.918% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   68  14.42 +/- 2.67   1.283% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  13.12 +/- 3.69   2.438% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  22.99 +/- 4.10   0.244% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  22.31 +/- 3.61   0.273% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 25.4:
        T QB    ALA   57 - HD2   PRO   58   2.46 +/- 0.54  93.656% * 97.4262% (0.87 10.00   5.07  25.37) =  99.972%  kept
        T QD    LYS+  65 - HD2   PRO   58  10.92 +/- 1.92   2.427% *  0.5137% (0.46 10.00   0.02   0.02) =   0.014%
        T HD2   LYS+  74 - HD2   PRO   58  13.69 +/- 2.55   0.946% *  1.0461% (0.94 10.00   0.02   0.02) =   0.011%
          HD3   LYS+ 111 - HD2   PRO   58  14.97 +/- 3.42   1.169% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HD2   PRO   58  21.76 +/- 3.05   0.196% *  0.4339% (0.39 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  24.03 +/- 2.94   0.184% *  0.2934% (0.26 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   58  14.46 +/- 1.81   0.645% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  15.91 +/- 2.40   0.500% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  21.88 +/- 3.35   0.277% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.7, residual support = 147.9:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  96.204% * 99.6708% (0.89  10.0 10.00   7.70 147.91) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.28 +/- 1.40   1.305% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  16.24 +/- 2.02   0.146% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  16.38 +/- 5.70   1.247% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.43 +/- 3.10   0.055% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.79 +/- 2.25   0.033% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  24.71 +/- 3.35   0.043% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  19.27 +/- 3.77   0.590% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.05 +/- 3.06   0.319% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  24.00 +/- 3.94   0.058% *  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 = 147.9:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.806% * 99.5891% (0.95  10.0 10.00   7.70 147.91) =  99.999%  kept
        T HD2   PRO   68 - HD2   PRO   58  16.24 +/- 2.02   0.150% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD2   PRO   58   8.65 +/- 0.66   0.874% *  0.0446% (0.42   1.0  1.00   0.02   0.88) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.87 +/- 2.13   0.170% *  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 = 0.683, support = 6.6, residual support = 39.9:
          HN    PHE   59 - HD2   PRO   58   3.32 +/- 0.62  91.332% * 86.2461% (0.69   6.65  39.92) =  99.005%  kept
          QE    PHE   59 - HD2   PRO   58   8.51 +/- 0.70   5.990% * 13.0658% (0.32   2.14  39.92) =   0.984%  kept
          HN    HIS  122 - HD2   PRO   58  13.78 +/- 2.02   2.270% *  0.3502% (0.93   0.02   0.02) =   0.010%
          HH2   TRP   87 - HD2   PRO   58  22.70 +/- 3.04   0.408% *  0.3379% (0.89   0.02   0.02) =   0.002%
    Distance limit 4.01 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   2.88 +/- 0.63  98.900% * 99.6917% (0.53 10.00   3.00  20.24) =  99.998%  kept
          HB    ILE   89 - HB3   PHE   59  18.14 +/- 2.39   0.585% *  0.1857% (0.98  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PHE   59  19.01 +/- 2.72   0.515% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.538, support = 0.569, residual support = 4.86:
          HB3   ASP-  62 - HB3   PHE   59   6.09 +/- 0.72  39.229% * 56.9349% (0.45   0.75   6.36) =  68.493%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.20 +/- 2.56  32.863% * 25.7310% (0.80   0.19   1.78) =  25.931%  kept
          HB    VAL  107 - HB3   PHE   59   9.66 +/- 2.62  18.477% *  8.4166% (0.38   0.13   0.77) =   4.769%  kept
          HB3   PHE   45 - HB3   PHE   59  11.98 +/- 2.38   7.546% *  2.7117% (0.80   0.02   0.02) =   0.627%  kept
          HG2   GLU-  29 - HB3   PHE   59  24.48 +/- 4.06   0.968% *  3.2682% (0.97   0.02   0.02) =   0.097%
          HB3   ASP-  86 - HB3   PHE   59  22.68 +/- 2.74   0.918% *  2.9375% (0.87   0.02   0.02) =   0.083%
    Distance limit 4.03 A violated in 7 structures by 1.24 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   3.61 +/- 0.76  94.690% * 99.0024% (0.18 10.00   2.48  20.24) =  99.989%  kept
          HB    VAL   43 - HB2   PHE   59  14.22 +/- 1.53   2.001% *  0.1928% (0.34  1.00   0.02   0.02) =   0.004%
          HB    ILE   89 - HB2   PHE   59  19.44 +/- 2.45   0.874% *  0.3657% (0.65  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HB2   PHE   59  18.65 +/- 2.77   0.972% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB2   PHE   59  19.33 +/- 2.95   0.877% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HB2   PHE   59  22.30 +/- 3.33   0.586% *  0.1572% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 58.4:
      O   HN    PHE   59 - HB3   PHE   59   2.40 +/- 0.34  98.211% * 99.4232% (0.31  10.0   4.97  58.44) =  99.995%  kept
          HN    HIS  122 - HB3   PHE   59  10.41 +/- 1.00   1.531% *  0.2794% (0.87   1.0   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   PHE   59  20.42 +/- 3.00   0.259% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.33, residual support = 58.4:
      O   HN    PHE   59 - HB2   PHE   59   2.41 +/- 0.38  81.874% * 93.3091% (1.00  10.0   4.36  58.44) =  98.751%  kept
          QE    PHE   59 - HB2   PHE   59   4.52 +/- 0.04  14.720% *  6.5564% (0.80   1.0   1.76  58.44) =   1.247%  kept
          HN    HIS  122 - HB2   PHE   59   9.53 +/- 1.53   1.647% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   59  10.23 +/- 1.53   1.600% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  21.54 +/- 3.07   0.160% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.35:
          HB2   ASP-  62 - HA    PHE   59   3.31 +/- 0.77  93.838% * 97.0773% (0.99  1.00   1.50   6.36) =  99.880%  kept
        T QB    ASP- 113 - HA    PHE   59  11.08 +/- 1.24   4.275% *  2.2871% (0.18 10.00   0.02   0.02) =   0.107%  kept
          HB2   PRO   52 - HA    PHE   59  14.09 +/- 1.54   1.887% *  0.6357% (0.49  1.00   0.02   0.02) =   0.013%
    Distance limit 3.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 2.94, residual support = 6.33:
          HB3   ASP-  62 - HA    PHE   59   3.70 +/- 0.98  77.807% * 85.4423% (0.18  1.00   2.96   6.36) =  99.494%  kept
          HG3   GLN  116 - HA    PHE   59   8.09 +/- 1.81  17.396% *  1.1256% (0.34  1.00   0.02   0.53) =   0.293%  kept
        T HB3   TRP   87 - HA    PHE   59  20.36 +/- 2.33   0.738% *  9.1744% (0.28 10.00   0.02   0.02) =   0.101%  kept
          HG3   MET   96 - HA    PHE   59  15.76 +/- 2.45   3.497% *  1.7360% (0.53  1.00   0.02   0.02) =   0.091%
          HG2   GLU-  36 - HA    PHE   59  25.14 +/- 3.37   0.563% *  2.5217% (0.76  1.00   0.02   0.02) =   0.021%
    Distance limit 3.93 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.91, residual support = 58.4:
      O   HN    PHE   59 - HA    PHE   59   2.77 +/- 0.06  74.912% * 92.5461% (1.00  10.0   4.97  58.44) =  98.122%  kept
          QE    PHE   59 - HA    PHE   59   4.54 +/- 0.36  18.085% *  7.3205% (0.80   1.0   1.98  58.44) =   1.874%  kept
          HN    HIS  122 - HA    PHE   59   9.23 +/- 1.67   2.453% *  0.0561% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.14 +/- 1.72   4.345% *  0.0286% (0.31   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HA    PHE   59  21.56 +/- 3.34   0.205% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 20.2:
          HN    PHE   60 - HB3   PHE   59   2.84 +/- 0.41  85.963% * 98.7622% (0.61   4.03  20.17) =  99.966%  kept
          HN    THR  118 - HB3   PHE   59   7.92 +/- 0.62   4.637% *  0.3035% (0.38   0.02  12.40) =   0.017%
          HN    GLN  116 - HB3   PHE   59   6.54 +/- 1.12   9.119% *  0.1416% (0.18   0.02   0.53) =   0.015%
          HN    GLU-  15 - HB3   PHE   59  20.65 +/- 2.25   0.280% *  0.7927% (0.98   0.02   0.02) =   0.003%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.979, support = 3.89, residual support = 71.3:
          QD    PHE   60 - HA    PHE   60   2.85 +/- 0.47  74.516% * 91.3026% (1.00   3.95  72.61) =  97.564%  kept
          QE    PHE   59 - HA    PHE   60   5.42 +/- 1.32  21.068% *  7.9908% (0.25   1.39  20.17) =   2.414%  kept
          HN    LYS+  66 - HA    PHE   60   7.98 +/- 0.48   4.101% *  0.3360% (0.73   0.02   0.02) =   0.020%
          HN    LYS+  81 - HA    PHE   60  19.27 +/- 2.96   0.316% *  0.3705% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.6:
      O   HN    PHE   60 - HA    PHE   60   2.82 +/- 0.06  93.451% * 99.7483% (0.61  10.0   4.92  72.61) =  99.996%  kept
          HN    THR  118 - HA    PHE   60   9.97 +/- 1.38   2.880% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60   9.42 +/- 1.38   3.228% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  18.12 +/- 2.31   0.441% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 41.6:
      O   HN    ALA   61 - HA    PHE   60   3.62 +/- 0.03  93.461% * 99.5823% (0.84  10.0   5.00  41.55) =  99.994%  kept
          HN    TRP   27 - HA    PHE   60  16.96 +/- 2.92   1.706% *  0.1182% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    PHE   60  16.18 +/- 2.92   1.368% *  0.1069% (0.90   1.0   0.02   0.02) =   0.002%
          HE3   TRP   87 - HA    PHE   60  18.20 +/- 3.36   0.935% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  17.77 +/- 2.29   0.967% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  17.69 +/- 2.97   1.009% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  21.34 +/- 2.50   0.553% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.754, support = 0.636, residual support = 1.74:
          HA    ASP-  44 - HB2   PHE   60   7.28 +/- 2.53  27.165% * 70.4421% (1.00   0.60   2.39) =  70.604%  kept
          HA    ALA   57 - HB2   PHE   60   4.28 +/- 1.41  56.387% * 13.6581% (0.15   0.75   0.21) =  28.415%  kept
          HB    THR   77 - HB2   PHE   60  12.63 +/- 3.34   4.365% *  2.3138% (0.98   0.02   0.02) =   0.373%  kept
          HA    ILE  103 - HB2   PHE   60  17.39 +/- 2.13   1.642% *  2.1790% (0.92   0.02   0.02) =   0.132%  kept
          HA1   GLY   51 - HB2   PHE   60  12.98 +/- 2.35   3.421% *  0.8859% (0.38   0.02   0.02) =   0.112%  kept
          HA    GLU-  79 - HB2   PHE   60  15.96 +/- 3.29   1.564% *  1.3364% (0.57   0.02   0.02) =   0.077%
          HA    THR   39 - HB2   PHE   60  18.00 +/- 2.88   1.693% *  1.1490% (0.49   0.02   0.02) =   0.072%
          HA    SER   85 - HB2   PHE   60  20.44 +/- 2.74   0.766% *  2.3138% (0.98   0.02   0.02) =   0.065%
          HA    MET   11 - HB2   PHE   60  26.44 +/- 5.65   0.622% *  2.3605% (1.00   0.02   0.02) =   0.054%
          HA    GLU-  14 - HB2   PHE   60  20.04 +/- 3.32   0.991% *  0.9704% (0.41   0.02   0.02) =   0.035%
          HA    ALA   12 - HB2   PHE   60  24.04 +/- 4.85   0.726% *  1.2419% (0.53   0.02   0.02) =   0.033%
          HA    ASP-  86 - HB2   PHE   60  21.59 +/- 2.81   0.658% *  1.1490% (0.49   0.02   0.02) =   0.028%
    Distance limit 4.00 A violated in 3 structures by 0.44 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.6:
      O   QD    PHE   60 - HB2   PHE   60   2.47 +/- 0.18  93.601% * 99.7759% (0.76  10.0   3.76  72.61) =  99.998%  kept
          QD    PHE   55 - HB2   PHE   60   9.17 +/- 1.81   3.325% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   60   9.38 +/- 0.82   1.888% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  18.33 +/- 3.01   0.333% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  14.03 +/- 2.52   0.853% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.88, residual support = 41.5:
          HN    ALA   61 - HB2   PHE   60   3.22 +/- 0.51  93.820% * 95.7242% (0.38   4.88  41.55) =  99.958%  kept
          HD1   TRP   87 - HB2   PHE   60  17.01 +/- 2.98   0.971% *  0.9374% (0.90   0.02   0.02) =   0.010%
          HN    TRP   27 - HB2   PHE   60  17.18 +/- 3.06   1.035% *  0.8370% (0.80   0.02   0.02) =   0.010%
          HN    ALA   91 - HB2   PHE   60  15.14 +/- 3.32   1.602% *  0.4686% (0.45   0.02   0.02) =   0.008%
          HN    THR   39 - HB2   PHE   60  19.13 +/- 2.96   0.704% *  0.9649% (0.92   0.02   0.02) =   0.008%
          HN    GLU-  36 - HB2   PHE   60  22.49 +/- 3.09   0.410% *  0.5499% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   PHE   60  21.42 +/- 2.41   0.469% *  0.3566% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  17.79 +/- 3.75   0.988% *  0.1613% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.79, residual support = 72.6:
      O   HN    PHE   60 - HB2   PHE   60   2.70 +/- 0.58  93.847% * 99.7483% (0.61  10.0   4.79  72.61) =  99.997%  kept
          HN    THR  118 - HB2   PHE   60  11.17 +/- 1.51   2.645% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HB2   PHE   60  10.03 +/- 1.52   3.115% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  19.19 +/- 2.47   0.393% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.986, support = 2.94, residual support = 9.7:
        T QD1   LEU   63 - HA    PHE   60   3.43 +/- 1.00  44.737% * 75.3859% (1.00 10.00   3.13  10.24) =  91.135%  kept
        T QD1   LEU   73 - HA    PHE   60  10.57 +/- 2.34  10.608% * 18.0674% (1.00 10.00   0.48   1.20) =   5.179%  kept
          QD2   LEU   63 - HA    PHE   60   4.60 +/- 1.25  25.310% *  4.3474% (0.57  1.00   2.04  10.24) =   2.973%  kept
          QD2   LEU  115 - HA    PHE   60   5.69 +/- 1.52  15.185% *  1.6989% (0.84  1.00   0.54   0.02) =   0.697%  kept
        T QD1   LEU  104 - HA    PHE   60  13.78 +/- 2.14   0.981% *  0.4268% (0.57 10.00   0.02   0.02) =   0.011%
          QD2   LEU   80 - HA    PHE   60  14.84 +/- 3.25   2.200% *  0.0604% (0.80  1.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HA    PHE   60  15.13 +/- 2.65   0.979% *  0.0132% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.921, support = 1.5, residual support = 10.2:
        T HB2   LEU   63 - HA    PHE   60   3.55 +/- 0.63  44.040% * 98.2203% (0.92 10.00   1.50  10.24) =  99.775%  kept
          HB3   ASP-  44 - HA    PHE   60   5.66 +/- 2.83  29.793% *  0.1391% (0.98  1.00   0.02   2.39) =   0.096%
          HB2   LYS+ 112 - HA    PHE   60  10.91 +/- 2.63   6.033% *  0.6356% (0.22  1.00   0.40   0.15) =   0.088%
          HB3   PRO   93 - HA    PHE   60   8.25 +/- 2.99   8.000% *  0.1231% (0.87  1.00   0.02   0.02) =   0.023%
          HB2   LEU   31 - HA    PHE   60  18.12 +/- 3.36   1.642% *  0.0974% (0.69  1.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - HA    PHE   60  11.14 +/- 2.46   4.904% *  0.0219% (0.15  1.00   0.02   1.20) =   0.002%
          QB    ALA  124 - HA    PHE   60  15.82 +/- 1.44   0.720% *  0.1416% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.22 +/- 2.64   0.712% *  0.1369% (0.97  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    PHE   60  15.06 +/- 2.08   0.710% *  0.1272% (0.90  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    PHE   60  17.89 +/- 3.44   0.626% *  0.1185% (0.84  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  14.72 +/- 2.30   0.854% *  0.0860% (0.61  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    PHE   60  14.85 +/- 2.56   0.921% *  0.0438% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  18.54 +/- 2.51   0.417% *  0.0484% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  20.84 +/- 2.73   0.401% *  0.0354% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  22.19 +/- 2.18   0.229% *  0.0248% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.516, support = 0.735, residual support = 0.426:
        T QG2   VAL   18 - HA    ALA   61   7.77 +/- 4.42  25.556% * 34.1453% (0.34 10.00   0.83   0.58) =  55.005%  kept
        T QG1   VAL   41 - HA    ALA   61  11.94 +/- 2.32   9.125% * 50.3644% (0.76 10.00   0.54   0.11) =  28.968%  kept
          QD1   ILE   56 - HA    ALA   61   8.25 +/- 1.41  14.072% *  7.9382% (0.61  1.00   1.08   1.00) =   7.041%  kept
          QD2   LEU   73 - HA    ALA   61   8.31 +/- 2.36  19.123% *  5.6418% (0.87  1.00   0.54   0.02) =   6.801%  kept
          QG2   THR   46 - HA    ALA   61   7.96 +/- 2.93  21.409% *  1.5392% (0.25  1.00   0.51   0.02) =   2.077%  kept
          QG1   VAL   43 - HA    ALA   61  10.19 +/- 1.82   8.196% *  0.1372% (0.57  1.00   0.02   0.02) =   0.071%
          HG    LEU   31 - HA    ALA   61  15.99 +/- 2.95   2.520% *  0.2339% (0.97  1.00   0.02   0.02) =   0.037%
    Distance limit 3.03 A violated in 13 structures by 1.81 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.26, residual support = 6.16:
        T QB    ALA   64 - HA    ALA   61   3.44 +/- 0.64  75.466% * 98.7496% (0.34 10.00   2.27   6.17) =  99.814%  kept
        T QG1   VAL   75 - HA    ALA   61   8.30 +/- 1.96  10.670% *  1.0865% (0.38 10.00   0.02   0.02) =   0.155%  kept
          QD1   LEU  115 - HA    ALA   61   8.24 +/- 1.72  13.864% *  0.1639% (0.57  1.00   0.02   0.02) =   0.030%
    Distance limit 3.43 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   3.71 +/- 0.35 100.000% *100.0000% (0.84   0.75   6.17) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.04 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   2.81 +/- 0.07  96.190% * 98.9218% (0.38  10.0   2.75  17.90) =  99.993%  kept
          HN    TRP   27 - HA    ALA   61  15.63 +/- 2.76   0.992% *  0.2111% (0.80   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    ALA   61  17.30 +/- 2.58   0.624% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  18.16 +/- 3.25   0.482% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  17.33 +/- 3.52   0.680% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  20.51 +/- 2.99   0.375% *  0.1387% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    ALA   61  21.34 +/- 2.30   0.245% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  19.22 +/- 4.07   0.412% *  0.0407% (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 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 3.76, residual support = 71.7:
      O   QD    PHE   60 - HB3   PHE   60   2.47 +/- 0.18  78.315% * 87.7239% (0.73  10.0   3.77  72.61) =  98.274%  kept
          HN    PHE   59 - HB3   PHE   60   5.07 +/- 0.60  10.037% *  6.8736% (0.28   1.0   4.09  20.17) =   0.987%  kept
          QE    PHE   59 - HB3   PHE   60   6.86 +/- 1.71   9.831% *  5.2366% (0.65   1.0   1.34  20.17) =   0.736%  kept
          HN    LYS+  66 - HB3   PHE   60   9.35 +/- 0.70   1.585% *  0.1205% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  18.74 +/- 3.04   0.233% *  0.0453% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 72.6:
      O   HN    PHE   60 - HB3   PHE   60   2.49 +/- 0.47  99.542% * 99.5797% (0.20  10.0   4.92  72.61) =  99.998%  kept
          HN    GLU-  15 - HB3   PHE   60  18.94 +/- 2.69   0.458% *  0.4203% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 3.30 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 = 0.846, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.59 +/- 2.60  28.647% * 23.9067% (0.95   0.02   0.02) =  35.780%  kept
          HN    THR   39 - HB3   PHE   60  19.33 +/- 2.64  18.981% * 23.3294% (0.92   0.02   0.02) =  23.136%  kept
          HN    LYS+ 102 - HB3   PHE   60  21.67 +/- 2.35  13.655% * 20.2366% (0.80   0.02   0.02) =  14.437%  kept
          HN    GLU-  36 - HB3   PHE   60  22.73 +/- 2.92  11.532% * 23.9067% (0.95   0.02   0.02) =  14.404%  kept
          HN    TRP   27 - HB3   PHE   60  17.46 +/- 3.13  27.185% *  8.6206% (0.34   0.02   0.02) =  12.244%  kept
    Distance limit 3.74 A violated in 20 structures by 10.07 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   2.24 +/- 0.12  97.719% * 58.7127% (0.33  1.00   2.31   5.52) =  99.807%  kept
        T HA    ASN   28 - QB    ALA   84  16.38 +/- 4.87   0.521% * 13.7786% (0.89 10.00   0.02   0.02) =   0.125%  kept
        T HA    ALA   34 - QB    ALA   84  21.10 +/- 3.48   0.158% * 11.4070% (0.74 10.00   0.02   0.02) =   0.031%
        T HA    ALA  124 - QB    ALA   84  27.37 +/- 2.67   0.063% * 11.4070% (0.74 10.00   0.02   0.02) =   0.013%
          HA    ARG+  54 - QB    ALA   84  15.24 +/- 3.04   0.470% *  1.2947% (0.84  1.00   0.02   0.02) =   0.011%
          HA    LEU  115 - QB    ALA   84  17.20 +/- 1.93   0.264% *  1.3386% (0.87  1.00   0.02   0.02) =   0.006%
          HA1   GLY  101 - QB    ALA   84  20.66 +/- 4.89   0.250% *  0.8451% (0.55  1.00   0.02   0.02) =   0.004%
          HA    GLU- 114 - QB    ALA   84  19.33 +/- 1.89   0.170% *  0.6136% (0.40  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - QB    ALA   84  18.38 +/- 4.71   0.290% *  0.2303% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   84  25.35 +/- 3.84   0.094% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 0.287, support = 1.93, residual support = 16.2:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.03  45.404% * 37.2663% (0.15  1.00   2.33  20.70) =  78.212%  kept
          HA    ASP-  86 - QB    ALA   84   6.54 +/- 0.09   8.673% * 49.8275% (0.84  1.00   0.55   0.02) =  19.975%  kept
          HA    TRP   87 - QB    ALA   84   6.93 +/- 0.30   7.804% *  2.3684% (0.27  1.00   0.08   0.02) =   0.854%  kept
          HB    THR   77 - QB    ALA   84   4.59 +/- 1.61  35.212% *  0.3201% (0.15  1.00   0.02   0.02) =   0.521%  kept
        T HA    ASP-  44 - QB    ALA   84  11.30 +/- 1.28   1.901% *  4.1057% (0.19 10.00   0.02   0.02) =   0.361%  kept
          HA    LEU  104 - QB    ALA   84  19.95 +/- 2.89   0.331% *  2.0022% (0.93  1.00   0.02   0.02) =   0.031%
          HA    GLU-  14 - QB    ALA   84  23.66 +/- 3.10   0.268% *  1.9151% (0.89  1.00   0.02   0.02) =   0.024%
          HA    ALA   12 - QB    ALA   84  25.79 +/- 3.67   0.246% *  1.7329% (0.81  1.00   0.02   0.02) =   0.020%
          HA    MET   11 - QB    ALA   84  27.74 +/- 3.74   0.161% *  0.4619% (0.21  1.00   0.02   0.02) =   0.003%
    Distance limit 3.37 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.12, residual support = 17.5:
      O   HN    ALA   84 - QB    ALA   84   2.00 +/- 0.05  96.651% * 98.8488% (0.30  10.0   4.12  17.52) =  99.993%  kept
          HZ2   TRP   87 - QB    ALA   84   8.42 +/- 0.55   1.366% *  0.2326% (0.70   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - QB    ALA   84  14.56 +/- 5.14   0.671% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - QB    ALA   84  15.67 +/- 2.89   0.279% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    ALA   84  16.48 +/- 1.88   0.204% *  0.2564% (0.77   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    ALA   84  12.27 +/- 2.65   0.595% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  16.40 +/- 2.43   0.235% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.765, support = 3.93, residual support = 20.3:
          HN    SER   85 - QB    ALA   84   2.72 +/- 0.14  82.912% * 90.4665% (0.77   3.98  20.70) =  98.321%  kept
          HN    LEU   80 - QB    ALA   84   5.04 +/- 0.63  14.761% *  8.6451% (0.30   0.99   0.02) =   1.673%  kept
          HN    GLN   32 - QB    ALA   84  19.39 +/- 4.75   0.435% *  0.5675% (0.97   0.02   0.02) =   0.003%
          HN    CYS   53 - QB    ALA   84  12.86 +/- 3.00   1.587% *  0.0876% (0.15   0.02   0.02) =   0.002%
          HN    ALA   34 - QB    ALA   84  20.39 +/- 4.03   0.305% *  0.2333% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.928, support = 1.15, residual support = 27.1:
          HN    LEU  123 - QB    ALA  120   3.89 +/- 0.14  69.357% * 88.1959% (0.94   1.18  27.88) =  97.184%  kept
          HN    ALA  124 - QB    ALA  120   6.48 +/- 0.24  14.945% * 10.7045% (0.57   0.23   0.02) =   2.542%  kept
          HE21  GLN   17 - QB    ALA  120  17.71 +/- 5.21  15.698% *  1.0996% (0.69   0.02   0.02) =   0.274%  kept
    Distance limit 2.88 A violated in 0 structures by 0.90 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 2.04, residual support = 5.3:
        T HA    SER  117 - QB    ALA  120   3.32 +/- 0.51  88.200% * 99.1094% (0.54 10.00   2.04   5.31) =  99.969%  kept
        T HB    THR   26 - QB    ALA  120  21.42 +/- 5.53   5.507% *  0.3897% (0.21 10.00   0.02   0.02) =   0.025%
          HA    ALA   57 - QB    ALA  120  13.31 +/- 0.78   1.639% *  0.1656% (0.89  1.00   0.02   0.02) =   0.003%
          HA    THR   39 - QB    ALA  120  15.94 +/- 3.95   1.852% *  0.0991% (0.54  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - QB    ALA  120  15.71 +/- 3.83   1.976% *  0.0307% (0.17  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA  120  19.97 +/- 2.13   0.491% *  0.1202% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  23.09 +/- 3.40   0.335% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.05 +/- 0.09  93.813% * 99.3531% (0.97  10.0   4.00  17.90) =  99.996%  kept
          HN    ALA   91 - QB    ALA  110  11.10 +/- 2.93   1.124% *  0.0755% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  12.73 +/- 3.18   1.022% *  0.0735% (0.71   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA   61  14.02 +/- 3.09   0.803% *  0.0923% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - QB    ALA   61  14.85 +/- 3.35   0.487% *  0.1020% (0.99   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA  110  13.84 +/- 3.62   0.881% *  0.0553% (0.54   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   61  16.97 +/- 3.46   0.233% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.80 +/- 2.87   0.488% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.66 +/- 3.00   0.680% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  15.99 +/- 2.78   0.272% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  20.95 +/- 2.56   0.114% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.25 +/- 1.95   0.083% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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   2.68 +/- 0.34  81.192% * 99.6796% (0.87  10.0   2.12   9.58) =  99.990%  kept
          HN    PHE   45 - QB    ALA   61   8.89 +/- 2.76   5.697% *  0.0550% (0.48   1.0   0.02   0.02) =   0.004%
          HN    PHE   45 - QB    ALA  110   9.79 +/- 1.83   2.960% *  0.0743% (0.65   1.0   0.02   0.02) =   0.003%
          HN    ASP-  44 - QB    ALA   61   8.19 +/- 2.07   6.530% *  0.0236% (0.21   1.0   0.02   0.24) =   0.002%
          HN    ALA  110 - QB    ALA   61  14.24 +/- 3.36   1.107% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  12.62 +/- 1.56   1.065% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  15.91 +/- 3.42   1.268% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  22.12 +/- 2.88   0.181% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 2.76, residual support = 8.02:
          HN    ASP-  62 - QB    ALA   61   2.76 +/- 0.25  76.938% * 81.2990% (1.00   2.79   8.14) =  98.511%  kept
          HN    PHE   55 - QB    ALA  110   9.36 +/- 4.01   8.169% *  7.0988% (0.33   0.73   0.14) =   0.913%  kept
          HN    PHE   55 - QB    ALA   61   9.51 +/- 1.31   2.930% *  6.2062% (0.45   0.47   0.02) =   0.286%  kept
          HN    ARG+  54 - QB    ALA  110  10.28 +/- 3.94   4.950% *  3.0426% (0.64   0.16   0.02) =   0.237%  kept
          HN    ARG+  54 - QB    ALA   61   9.34 +/- 1.65   3.729% *  0.5070% (0.87   0.02   0.02) =   0.030%
          HN    LEU   31 - QB    ALA   61  14.92 +/- 2.74   1.050% *  0.5729% (0.98   0.02   0.02) =   0.009%
          HN    ASP-  62 - QB    ALA  110  13.66 +/- 2.56   1.230% *  0.4315% (0.74   0.02   0.02) =   0.008%
          HN    LYS+  38 - QB    ALA   61  17.53 +/- 3.11   0.632% *  0.2403% (0.41   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA  110  21.20 +/- 2.74   0.226% *  0.4239% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  38 - QB    ALA  110  23.85 +/- 2.20   0.146% *  0.1778% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.795, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.71 +/- 3.68  27.764% * 28.1529% (1.00   0.02   0.02) =  36.966%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.03 +/- 3.14  27.368% * 21.5631% (0.76   0.02   0.02) =  27.910%  kept
          HA    ALA   12 - HB2   ASP-  62  23.34 +/- 4.51  17.415% * 18.2527% (0.65   0.02   0.02) =  15.033%  kept
          HA    ASP-  86 - HB2   ASP-  62  25.90 +/- 2.44  11.516% * 19.3814% (0.69   0.02   0.02) =  10.555%  kept
          HA    TRP   87 - HB2   ASP-  62  23.57 +/- 2.83  15.937% * 12.6499% (0.45   0.02   0.02) =   9.535%  kept
    Distance limit 3.57 A violated in 20 structures by 11.81 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  25.82 +/- 2.47  11.460% * 70.6236% (0.67 10.00   0.02   0.02) =  53.949%  kept
          HA    LEU  104 - HB3   ASP-  62  19.50 +/- 3.80  28.122% * 10.2586% (0.98  1.00   0.02   0.02) =  19.229%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.99 +/- 3.26  27.642% *  7.8573% (0.75  1.00   0.02   0.02) =  14.477%  kept
          HA    ALA   12 - HB3   ASP-  62  23.44 +/- 4.56  16.714% *  6.6511% (0.63  1.00   0.02   0.02) =   7.410%  kept
          HA    TRP   87 - HB3   ASP-  62  23.45 +/- 2.82  16.062% *  4.6095% (0.44  1.00   0.02   0.02) =   4.935%  kept
    Distance limit 3.30 A violated in 20 structures by 11.99 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.1, residual support = 4.11:
          HN    LYS+  65 - HA    ASP-  62   3.61 +/- 0.43 100.000% *100.0000% (0.15   1.10   4.11) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.12 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   2.74 +/- 0.06  96.716% * 99.7294% (1.00  10.0   3.83  40.99) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  14.13 +/- 1.91   0.989% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  18.46 +/- 3.70   0.639% *  0.0980% (0.98   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.89 +/- 1.45   0.900% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  19.88 +/- 4.03   0.757% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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   3.25 +/- 0.42  84.623% * 98.7111% (0.97   5.23  42.32) =  99.950%  kept
          HD21  ASN   28 - HB2   ASP-  62  21.03 +/- 5.11  10.324% *  0.2685% (0.69   0.02   0.02) =   0.033%
          HN    ILE   56 - HB2   ASP-  62  10.54 +/- 1.00   2.768% *  0.3505% (0.90   0.02   0.02) =   0.012%
          HN    LYS+ 111 - HB2   ASP-  62  15.51 +/- 2.30   1.019% *  0.2056% (0.53   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB2   ASP-  62  21.60 +/- 3.41   0.451% *  0.1902% (0.49   0.02   0.02) =   0.001%
          HN    ALA   84 - HB2   ASP-  62  21.98 +/- 2.46   0.343% *  0.2056% (0.53   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB2   ASP-  62  26.11 +/- 4.66   0.474% *  0.0684% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 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   2.46 +/- 0.46  98.335% * 99.6462% (0.69  10.0   3.83  40.99) =  99.998%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.17 +/- 1.67   0.902% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB2   ASP-  62  19.51 +/- 3.60   0.481% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  20.80 +/- 3.63   0.282% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB3   ASP-  62   3.29 +/- 0.69  87.805% * 98.7111% (0.95   5.23  42.32) =  99.961%  kept
          HN    ILE   56 - HB3   ASP-  62  10.90 +/- 1.36   4.385% *  0.3505% (0.88   0.02   0.02) =   0.018%
          HD21  ASN   28 - HB3   ASP-  62  21.15 +/- 5.21   5.117% *  0.2685% (0.67   0.02   0.02) =   0.016%
          HN    LYS+ 111 - HB3   ASP-  62  15.63 +/- 2.15   1.369% *  0.2056% (0.52   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB3   ASP-  62  21.48 +/- 3.42   0.624% *  0.1902% (0.48   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   ASP-  62  21.95 +/- 2.39   0.439% *  0.2056% (0.52   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  26.14 +/- 4.73   0.261% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.08 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   2.88 +/- 0.48  96.192% * 99.7294% (0.98  10.0   3.83  40.99) =  99.997%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.46 +/- 1.97   1.246% *  0.0867% (0.85   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  19.54 +/- 3.77   0.609% *  0.0980% (0.96   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HB3   ASP-  62  12.87 +/- 1.58   1.332% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ASP-  62  20.69 +/- 3.72   0.621% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.86, support = 2.63, residual support = 6.1:
          QB    LYS+  66 - HA    LEU   63   3.68 +/- 0.84  58.123% * 51.6169% (1.00   2.22   7.48) =  67.955%  kept
          QB    LYS+  65 - HA    LEU   63   4.97 +/- 0.76  30.640% * 46.0481% (0.57   3.50   3.17) =  31.958%  kept
          HB    VAL   41 - HA    LEU   63  12.19 +/- 3.09   2.732% *  0.4397% (0.95   0.02   0.02) =   0.027%
          HG2   PRO   93 - HA    LEU   63  13.83 +/- 2.75   1.895% *  0.4169% (0.90   0.02   0.02) =   0.018%
          HG    LEU  123 - HA    LEU   63  12.81 +/- 2.66   2.244% *  0.2632% (0.57   0.02   0.02) =   0.013%
          HB2   LEU   71 - HA    LEU   63  11.50 +/- 1.52   2.134% *  0.2446% (0.53   0.02   0.02) =   0.012%
          HG12  ILE  103 - HA    LEU   63  15.67 +/- 4.25   1.134% *  0.3883% (0.84   0.02   0.02) =   0.010%
          QB    LYS+ 102 - HA    LEU   63  18.51 +/- 3.84   0.580% *  0.3193% (0.69   0.02   0.02) =   0.004%
          HB3   PRO   52 - HA    LEU   63  18.47 +/- 2.12   0.517% *  0.2632% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.34 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.557, support = 2.42, residual support = 7.56:
          HN    LYS+  66 - HA    LEU   63   3.68 +/- 0.43  59.543% * 58.6144% (0.53   2.63   7.48) =  88.494%  kept
          QD    PHE   60 - HA    LEU   63   7.09 +/- 0.66   9.590% * 37.5011% (0.97   0.92  10.24) =   9.119%  kept
          QE    PHE   59 - HA    LEU   63   6.02 +/- 2.02  30.430% *  3.0831% (0.14   0.54   0.02) =   2.379%  kept
          HN    LYS+  81 - HA    LEU   63  21.33 +/- 2.94   0.437% *  0.8014% (0.95   0.02   0.02) =   0.009%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.6:
      O   HN    LEU   63 - HA    LEU   63   2.79 +/- 0.06  88.248% * 99.6457% (1.00  10.0   7.54 242.58) =  99.993%  kept
          HD21  ASN   28 - HA    LEU   63  18.96 +/- 4.52   8.416% *  0.0486% (0.49   1.0   0.02   0.02) =   0.005%
          HN    ILE   56 - HA    LEU   63  13.03 +/- 1.52   1.013% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HA    LEU   63  16.13 +/- 2.52   0.557% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  23.24 +/- 4.42   1.016% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  20.78 +/- 3.00   0.291% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  19.67 +/- 4.44   0.459% *  0.0308% (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 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.485, support = 1.5, residual support = 10.2:
        T HA    PHE   60 - HB2   LEU   63   3.55 +/- 0.63  73.687% * 95.4963% (0.49 10.00   1.50  10.24) =  99.618%  kept
          HA    LYS+  65 - HB2   LEU   63   7.59 +/- 0.36   9.207% *  2.1561% (0.18  1.00   0.94   3.17) =   0.281%  kept
          HB    THR   94 - HB2   LEU   63  12.34 +/- 2.89   4.138% *  1.1433% (0.87  1.00   0.10   0.02) =   0.067%
          QB    SER  117 - HB2   LEU   63  11.93 +/- 1.74   3.347% *  0.2564% (0.98  1.00   0.02   0.02) =   0.012%
          HA    LYS+ 121 - HB2   LEU   63  13.25 +/- 2.35   2.361% *  0.2415% (0.92  1.00   0.02   0.02) =   0.008%
          HA    ALA  120 - HB2   LEU   63  12.35 +/- 1.90   2.605% *  0.1376% (0.53  1.00   0.02   0.02) =   0.005%
          QB    SER   48 - HB2   LEU   63  16.41 +/- 3.32   1.255% *  0.1999% (0.76  1.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - HB2   LEU   63  16.68 +/- 2.83   0.986% *  0.2525% (0.97  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB2   LEU   63  14.74 +/- 3.03   1.863% *  0.0582% (0.22  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HB2   LEU   63  21.06 +/- 2.75   0.551% *  0.0582% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.59, residual support = 55.0:
          HN    ALA   64 - HB2   LEU   63   3.00 +/- 0.48 100.000% *100.0000% (0.57   7.59  54.97) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 2.64, residual support = 15.9:
          QE    PHE   72 - HB2   LEU   63   5.28 +/- 1.27  71.982% * 99.3475% (0.99   2.64  15.96) =  99.874%  kept
          HD22  ASN   28 - HB2   LEU   63  17.04 +/- 4.19  17.970% *  0.3121% (0.41   0.02   0.02) =   0.078%
          HN    ALA   47 - HB2   LEU   63  13.22 +/- 3.12  10.047% *  0.3404% (0.45   0.02   0.02) =   0.048%
    Distance limit 4.14 A violated in 6 structures by 1.22 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.15, residual support = 242.6:
      O   HN    LEU   63 - HB2   LEU   63   2.25 +/- 0.36  88.748% * 99.6457% (1.00  10.0   8.15 242.58) =  99.993%  kept
          HD21  ASN   28 - HB2   LEU   63  17.66 +/- 4.56   9.004% *  0.0486% (0.49   1.0   0.02   0.02) =   0.005%
          HN    ILE   56 - HB2   LEU   63  11.53 +/- 2.01   1.113% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   LEU   63  14.92 +/- 2.22   0.388% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  19.23 +/- 3.19   0.184% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  22.84 +/- 4.13   0.314% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  18.44 +/- 4.35   0.249% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.765, support = 4.5, residual support = 41.8:
          HN    ASP-  62 - HB2   LEU   63   4.73 +/- 0.33  81.521% * 89.5656% (0.76   4.55  42.32) =  98.807%  kept
          HN    LEU   31 - HB2   LEU   63  16.10 +/- 3.19   8.912% *  9.5488% (0.84   0.44   0.02) =   1.152%  kept
          HN    PHE   55 - HB2   LEU   63  13.46 +/- 2.06   4.236% *  0.4620% (0.90   0.02   0.02) =   0.026%
          HN    ARG+  54 - HB2   LEU   63  13.76 +/- 2.30   4.121% *  0.2118% (0.41   0.02   0.02) =   0.012%
          HN    ALA   88 - HB2   LEU   63  21.15 +/- 3.35   1.209% *  0.2118% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.33 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.77, residual support = 55.0:
          HN    ALA   64 - HB3   LEU   63   3.30 +/- 0.72 100.000% *100.0000% (0.57   6.77  54.97) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 16.0:
        T HZ    PHE   72 - HB3   LEU   63   4.98 +/- 2.40  74.728% * 99.9822% (0.87 10.00   3.23  15.96) =  99.994%  kept
          HZ2   TRP   27 - HB3   LEU   63  13.94 +/- 4.11  25.272% *  0.0178% (0.15  1.00   0.02   0.02) =   0.006%
    Distance limit 4.08 A violated in 7 structures by 1.52 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 242.6:
      O   HN    LEU   63 - HB3   LEU   63   3.28 +/- 0.25  86.245% * 99.6457% (1.00  10.0   7.61 242.58) =  99.990%  kept
          HD21  ASN   28 - HB3   LEU   63  17.57 +/- 4.18   7.066% *  0.0486% (0.49   1.0   0.02   0.02) =   0.004%
          HN    ILE   56 - HB3   LEU   63  12.59 +/- 2.09   2.930% *  0.0990% (0.99   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB3   LEU   63  15.45 +/- 2.44   1.103% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  19.44 +/- 3.50   0.597% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   LEU   63  22.26 +/- 4.06   1.121% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  18.22 +/- 4.69   0.938% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.6, residual support = 242.3:
          HN    LEU   63 - HG    LEU   63   3.30 +/- 0.76  69.235% * 98.9494% (0.76   7.61 242.58) =  99.906%  kept
          HD21  ASN   28 - HG    LEU   63  18.25 +/- 4.48  15.037% *  0.3141% (0.92   0.02   0.02) =   0.069%
          HN    ILE   56 - HG    LEU   63  11.75 +/- 2.08   2.944% *  0.2201% (0.65   0.02   0.02) =   0.009%
          QE    PHE   60 - HG    LEU   63   7.41 +/- 1.47   9.555% *  0.0673% (0.20   0.02  10.24) =   0.009%
          HZ2   TRP   87 - HG    LEU   63  18.80 +/- 4.58   0.971% *  0.2600% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HG    LEU   63  14.59 +/- 2.95   1.362% *  0.0946% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  19.83 +/- 3.68   0.896% *  0.0946% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.158, support = 2.91, residual support = 9.48:
        T HA    PHE   60 - QD1   LEU   63   3.43 +/- 1.00  39.472% * 57.8342% (0.14 10.00   3.13  10.24) =  91.808%  kept
        T HA    PHE   60 - QD1   LEU   73  10.57 +/- 2.34   8.002% * 13.8609% (0.14 10.00   0.48   1.20) =   4.461%  kept
          HB    THR   94 - QD1   LEU   63   9.61 +/- 2.59   3.993% *  9.2010% (0.97  1.00   0.45   0.02) =   1.478%  kept
          HA    LYS+  65 - QD1   LEU   63   7.93 +/- 0.59   4.816% *  4.8572% (0.57  1.00   0.40   3.17) =   0.941%  kept
          HA    ALA  120 - QD1   LEU   63  10.12 +/- 2.45   2.514% *  3.5376% (0.95  1.00   0.18   0.02) =   0.358%  kept
          HB    THR   94 - QD1   LEU   73  11.13 +/- 2.58   2.507% *  3.2967% (0.97  1.00   0.16   0.02) =   0.332%  kept
          HA    LYS+ 121 - QD1   LEU  104  11.18 +/- 6.20   5.129% *  0.7739% (0.23  1.00   0.16   0.02) =   0.160%  kept
          HA    LYS+ 121 - QD1   LEU   63  10.66 +/- 2.66   2.344% *  1.5850% (0.92  1.00   0.08   0.02) =   0.149%  kept
          HA    LYS+  65 - QD1   LEU   73  10.64 +/- 1.90   4.577% *  0.2419% (0.57  1.00   0.02   0.02) =   0.045%
          QB    SER  117 - QD1   LEU   63   9.36 +/- 2.16   3.881% *  0.2592% (0.61  1.00   0.02   0.02) =   0.040%
          QB    SER   48 - QD1   LEU   63  13.70 +/- 2.83   1.716% *  0.4264% (1.00  1.00   0.02   0.02) =   0.029%
          QB    SER   48 - QD1   LEU   73  13.09 +/- 2.04   1.701% *  0.4264% (1.00  1.00   0.02   0.02) =   0.029%
          HA2   GLY   51 - QD1   LEU   73  16.98 +/- 3.81   1.456% *  0.3707% (0.87  1.00   0.02   0.02) =   0.022%
          HA2   GLY   51 - QD1   LEU   63  14.03 +/- 2.49   1.339% *  0.3707% (0.87  1.00   0.02   0.02) =   0.020%
          HA    LYS+ 121 - QD1   LEU   73  17.61 +/- 3.08   1.250% *  0.3945% (0.92  1.00   0.02   0.02) =   0.020%
          QB    SER  117 - QD1   LEU   73  15.37 +/- 3.59   1.855% *  0.2592% (0.61  1.00   0.02   0.02) =   0.019%
          HA    ALA  120 - QD1   LEU   73  17.62 +/- 3.10   1.158% *  0.4042% (0.95  1.00   0.02   0.02) =   0.019%
          HA2   GLY   16 - QD1   LEU   73  13.75 +/- 3.48   1.380% *  0.2764% (0.65  1.00   0.02   0.02) =   0.015%
          HA2   GLY   16 - QD1   LEU   63  12.96 +/- 2.29   1.125% *  0.2764% (0.65  1.00   0.02   0.02) =   0.013%
          QB    SER   85 - QD1   LEU   73  15.21 +/- 2.70   0.634% *  0.2764% (0.65  1.00   0.02   0.02) =   0.007%
          QB    SER   85 - QD1   LEU   63  17.39 +/- 2.87   0.628% *  0.2764% (0.65  1.00   0.02   0.02) =   0.007%
          HA    ALA  120 - QD1   LEU  104  13.25 +/- 4.87   1.655% *  0.0990% (0.23  1.00   0.02   0.02) =   0.007%
          QB    SER  117 - QD1   LEU  104  11.37 +/- 3.04   2.206% *  0.0634% (0.15  1.00   0.02   0.02) =   0.006%
        T HA    PHE   60 - QD1   LEU  104  13.78 +/- 2.14   0.981% *  0.1416% (0.03 10.00   0.02   0.02) =   0.006%
          HB    THR   94 - QD1   LEU  104  13.85 +/- 0.91   0.813% *  0.1009% (0.24  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QD1   LEU  104  17.14 +/- 3.80   1.101% *  0.0677% (0.16  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  104  15.28 +/- 3.05   1.063% *  0.0592% (0.14  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - QD1   LEU  104  20.50 +/- 1.42   0.244% *  0.1044% (0.24  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU  104  20.38 +/- 3.41   0.267% *  0.0677% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  23.13 +/- 2.07   0.194% *  0.0907% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.485, support = 3.64, residual support = 26.1:
        T HZ3   TRP   27 - QD1   LEU   73   4.45 +/- 2.69  51.358% * 96.6976% (0.49 10.00   3.66  26.23) =  99.435%  kept
        T HZ3   TRP   27 - QD1   LEU  104  11.79 +/- 3.05   6.769% *  2.0116% (0.12 10.00   0.17   0.02) =   0.273%  kept
        T HZ3   TRP   27 - QD1   LEU   63   9.63 +/- 2.67  11.030% *  0.9670% (0.49 10.00   0.02   0.02) =   0.214%  kept
          HZ    PHE   45 - QD1   LEU   73   9.07 +/- 2.95  17.246% *  0.1443% (0.73  1.00   0.02   0.02) =   0.050%
          HZ    PHE   45 - QD1   LEU   63  10.23 +/- 2.91   9.032% *  0.1443% (0.73  1.00   0.02   0.02) =   0.026%
          HZ    PHE   45 - QD1   LEU  104  12.87 +/- 1.67   4.565% *  0.0353% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 2 structures by 0.42 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.825, support = 1.19, residual support = 6.59:
          QD    PHE   60 - QD1   LEU   63   4.45 +/- 1.29  24.698% * 29.5495% (0.87   1.38  10.24) =  48.618%  kept
          QD    PHE   60 - QD1   LEU   73   8.56 +/- 2.55  10.374% * 27.0719% (0.87   1.26   1.20) =  18.709%  kept
          HN    LYS+  66 - QD1   LEU   63   6.14 +/- 0.68   9.850% * 28.2157% (0.95   1.20   7.48) =  18.514%  kept
          QE    PHE   59 - QD1   LEU   63   4.21 +/- 2.17  31.192% *  5.6622% (0.49   0.47   0.02) =  11.765%  kept
          HN    PHE   59 - QD1   LEU   63   6.52 +/- 1.22   8.740% *  2.6081% (0.18   0.60   0.02) =   1.518%  kept
          QE    PHE   59 - QD1   LEU   73  11.43 +/- 2.88   5.332% *  1.3014% (0.49   0.11   0.02) =   0.462%  kept
          HN    LYS+  66 - QD1   LEU   73  11.56 +/- 1.99   1.133% *  4.6195% (0.95   0.20   0.02) =   0.349%  kept
          HN    LYS+  81 - QD1   LEU   63  16.71 +/- 3.39   0.857% *  0.2606% (0.53   0.02   0.02) =   0.015%
          HN    LYS+  81 - QD1   LEU   73  13.67 +/- 2.90   0.781% *  0.2606% (0.53   0.02   0.02) =   0.014%
          QE    PHE   59 - QD1   LEU  104  10.58 +/- 2.84   2.562% *  0.0590% (0.12   0.02   0.02) =   0.010%
          HN    PHE   59 - QD1   LEU   73  13.41 +/- 3.41   1.631% *  0.0867% (0.18   0.02   0.02) =   0.009%
          QD    PHE   60 - QD1   LEU  104  13.12 +/- 2.20   1.223% *  0.1052% (0.21   0.02   0.02) =   0.009%
          HN    LYS+  66 - QD1   LEU  104  14.28 +/- 3.30   0.755% *  0.1147% (0.23   0.02   0.02) =   0.006%
          HN    PHE   59 - QD1   LEU  104  15.76 +/- 2.49   0.725% *  0.0212% (0.04   0.02   0.02) =   0.001%
          HN    LYS+  81 - QD1   LEU  104  21.90 +/- 3.13   0.147% *  0.0638% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.753, support = 6.37, residual support = 209.4:
          HN    LEU   63 - QD1   LEU   63   3.59 +/- 0.71  31.305% * 69.4360% (0.76   7.13 242.58) =  86.149%  kept
          HD21  ASN   28 - QD1   LEU   73   7.19 +/- 3.87  11.526% * 20.2377% (0.92   1.72   1.35) =   9.245%  kept
          QE    PHE   60 - QD1   LEU   63   5.62 +/- 1.71  18.466% *  4.2713% (0.20   1.69  10.24) =   3.126%  kept
          QE    PHE   60 - QD1   LEU   73   8.12 +/- 2.66  11.284% *  2.6125% (0.20   1.04   1.20) =   1.168%  kept
          HN    LEU   63 - QD1   LEU   73  10.96 +/- 2.09   1.970% *  1.5326% (0.76   0.16   0.02) =   0.120%  kept
          HD21  ASN   28 - QD1   LEU  104  15.70 +/- 4.67   3.707% *  0.4894% (0.23   0.17   0.02) =   0.072%
          HD21  ASN   28 - QD1   LEU   63  14.35 +/- 3.95   5.156% *  0.2352% (0.92   0.02   0.02) =   0.048%
          HN    ILE   56 - QD1   LEU   63   9.71 +/- 1.60   3.077% *  0.1648% (0.65   0.02   0.02) =   0.020%
          HZ2   TRP   87 - QD1   LEU   73  12.30 +/- 4.47   2.247% *  0.1947% (0.76   0.02   0.02) =   0.017%
          HZ2   TRP   87 - QD1   LEU   63  14.90 +/- 4.20   1.288% *  0.1947% (0.76   0.02   0.02) =   0.010%
          HN    ILE   56 - QD1   LEU   73  14.98 +/- 3.72   0.989% *  0.1648% (0.65   0.02   0.02) =   0.006%
          HN    LYS+ 111 - QD1   LEU   63  11.66 +/- 2.65   2.163% *  0.0709% (0.28   0.02   0.02) =   0.006%
          HN    LYS+ 111 - QD1   LEU   73  16.70 +/- 3.99   1.041% *  0.0709% (0.28   0.02   0.02) =   0.003%
          HN    ALA   84 - QD1   LEU   73  13.57 +/- 2.81   1.010% *  0.0709% (0.28   0.02   0.02) =   0.003%
          HN    ALA   84 - QD1   LEU   63  15.91 +/- 3.42   0.878% *  0.0709% (0.28   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  13.78 +/- 2.57   0.754% *  0.0477% (0.19   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD1   LEU  104  16.08 +/- 5.25   0.660% *  0.0477% (0.19   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU  104  13.41 +/- 2.74   1.433% *  0.0123% (0.05   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  18.56 +/- 1.86   0.271% *  0.0404% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.60 +/- 2.35   0.561% *  0.0173% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  20.23 +/- 3.40   0.216% *  0.0173% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.07 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   2.80 +/- 0.07 100.000% *100.0000% (0.97  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.64 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 = 0.716, support = 3.27, residual support = 47.1:
        T HZ    PHE   72 - HA    ALA   64   3.06 +/- 0.73  59.563% * 39.4733% (0.57 10.00   2.93  47.11) =  50.274%  kept
        T QD    PHE   72 - HA    ALA   64   3.73 +/- 0.68  38.450% * 60.4788% (0.87 10.00   3.62  47.11) =  49.723%  kept
          QE    PHE   45 - HA    ALA   64  11.14 +/- 1.74   1.988% *  0.0479% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 1.22, residual support = 4.16:
          HN    LEU   67 - HA    ALA   64   3.55 +/- 0.63  80.330% * 85.5412% (0.87   1.23   4.19) =  99.179%  kept
          QE    PHE   95 - HA    ALA   64   9.90 +/- 1.98   4.457% *  9.4611% (0.98   0.12   0.11) =   0.609%  kept
          HE3   TRP   27 - HA    ALA   64  10.82 +/- 1.81   5.504% *  0.9111% (0.57   0.02   0.02) =   0.072%
          HN    THR   23 - HA    ALA   64  14.66 +/- 2.08   2.909% *  1.5950% (0.99   0.02   0.02) =   0.067%
          HD2   HIS   22 - HA    ALA   64  14.42 +/- 3.31   3.970% *  0.6040% (0.38   0.02   0.02) =   0.035%
          QD    PHE   55 - HA    ALA   64  15.87 +/- 1.77   1.330% *  1.0410% (0.65   0.02   0.02) =   0.020%
          HD1   TRP   49 - HA    ALA   64  19.41 +/- 3.18   1.501% *  0.8466% (0.53   0.02   0.02) =   0.018%
    Distance limit 4.18 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.659, support = 2.78, residual support = 6.47:
          QG2   VAL   18 - QB    ALA   64   5.04 +/- 3.96  33.388% * 45.2190% (0.84   2.08   8.55) =  60.078%  kept
          QD2   LEU   73 - QB    ALA   64   4.93 +/- 1.19  20.555% * 42.2707% (0.38   4.34   3.87) =  34.575%  kept
          QD1   ILE   19 - QB    ALA   64   6.56 +/- 2.54  13.301% *  7.4000% (0.38   0.76   0.02) =   3.917%  kept
          QG1   VAL   43 - QB    ALA   64   7.07 +/- 1.38   9.386% *  2.1078% (0.98   0.08   0.02) =   0.787%  kept
          QG1   VAL   41 - QB    ALA   64   7.57 +/- 1.68   5.830% *  2.1313% (0.99   0.08   0.02) =   0.494%  kept
          QG2   THR   46 - QB    ALA   64   7.81 +/- 1.81   5.761% *  0.3773% (0.73   0.02   0.02) =   0.086%
          QD1   ILE   56 - QB    ALA   64   8.78 +/- 1.70   8.236% *  0.0910% (0.18   0.02   0.02) =   0.030%
          HG    LEU   31 - QB    ALA   64  10.81 +/- 2.20   2.443% *  0.2734% (0.53   0.02   0.02) =   0.027%
          QD2   LEU  104 - QB    ALA   64  11.62 +/- 1.55   1.100% *  0.1296% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.02 A violated in 2 structures by 0.30 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.86, support = 1.7, residual support = 5.0:
          HB3   LEU   67 - QB    ALA   64   4.64 +/- 1.23  24.613% * 15.7871% (0.99   1.27   4.19) =  29.566%  kept
          QB    ALA   61 - QB    ALA   64   4.30 +/- 0.43  22.849% * 13.7106% (0.92   1.18   6.17) =  23.836%  kept
          HG    LEU   73 - QB    ALA   64   6.82 +/- 1.39   7.687% * 28.6974% (0.87   2.63   3.87) =  16.784%  kept
          QG    LYS+  66 - QB    ALA   64   6.32 +/- 0.75   7.249% * 25.7843% (0.98   2.09   8.50) =  14.223%  kept
          HG    LEU   67 - QB    ALA   64   5.27 +/- 1.02  15.153% *  8.9985% (0.28   2.58   4.19) =  10.375%  kept
          HG12  ILE   19 - QB    ALA   64   7.16 +/- 3.18  10.919% *  6.1659% (0.65   0.76   0.02) =   5.123%  kept
          HG    LEU   40 - QB    ALA   64   7.81 +/- 1.36   4.792% *  0.0943% (0.38   0.02   0.02) =   0.034%
          HB3   LEU  115 - QB    ALA   64   9.69 +/- 1.55   2.500% *  0.0943% (0.38   0.02   0.02) =   0.018%
          HG    LEU   80 - QB    ALA   64  13.92 +/- 2.94   1.003% *  0.1919% (0.76   0.02   0.02) =   0.015%
          QB    ALA  110 - QB    ALA   64  13.10 +/- 1.86   0.983% *  0.1824% (0.73   0.02   0.02) =   0.014%
          HG2   LYS+ 102 - QB    ALA   64  17.07 +/- 2.04   0.380% *  0.1919% (0.76   0.02   0.02) =   0.006%
          HB2   LEU   80 - QB    ALA   64  13.46 +/- 2.10   0.908% *  0.0626% (0.25   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QB    ALA   64  13.23 +/- 2.20   0.964% *  0.0388% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.892, support = 2.17, residual support = 5.22:
          HB3   LEU   67 - HA    ALA   64   3.48 +/- 1.63  37.979% * 28.1097% (0.99   2.06   4.19) =  57.632%  kept
          QG    LYS+  66 - HA    ALA   64   6.21 +/- 0.98  12.842% * 33.4415% (0.98   2.48   8.50) =  23.184%  kept
          HG    LEU   67 - HA    ALA   64   4.40 +/- 1.33  22.720% * 10.0835% (0.28   2.64   4.19) =  12.367%  kept
          HG    LEU   73 - HA    ALA   64   9.49 +/- 1.40   3.558% * 20.1973% (0.87   1.69   3.87) =   3.879%  kept
          QB    ALA   61 - HA    ALA   64   6.57 +/- 0.35   7.645% *  6.4248% (0.92   0.51   6.17) =   2.652%  kept
          HG12  ILE   19 - HA    ALA   64   9.15 +/- 3.60   5.170% *  0.8065% (0.65   0.09   0.02) =   0.225%  kept
          HG    LEU   40 - HA    ALA   64   8.48 +/- 1.61   5.333% *  0.1031% (0.38   0.02   0.02) =   0.030%
          HB3   LEU  115 - HA    ALA   64  11.78 +/- 1.84   2.019% *  0.1031% (0.38   0.02   0.02) =   0.011%
          HG    LEU   80 - HA    ALA   64  17.64 +/- 3.51   0.695% *  0.2100% (0.76   0.02   0.02) =   0.008%
          QB    ALA  110 - HA    ALA   64  16.09 +/- 1.77   0.475% *  0.1995% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HA    ALA   64  20.18 +/- 3.19   0.282% *  0.2100% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   80 - HA    ALA   64  17.09 +/- 2.60   0.527% *  0.0685% (0.25   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  15.00 +/- 3.25   0.754% *  0.0424% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.7, residual support = 47.0:
        T HB3   PHE   72 - QB    ALA   64   4.37 +/- 1.06  40.868% * 99.3598% (0.76 10.00   3.71  47.11) =  99.847%  kept
          HB2   ASP-  44 - QB    ALA   64   5.27 +/- 1.75  33.835% *  0.1128% (0.87  1.00   0.02   0.02) =   0.094%
          QG    GLU-  14 - QB    ALA   64  10.38 +/- 2.15   9.540% *  0.1086% (0.84  1.00   0.02   0.02) =   0.025%
          QG    GLU-  15 - QB    ALA   64  10.11 +/- 2.13   6.847% *  0.1230% (0.95  1.00   0.02   0.02) =   0.021%
          HG12  ILE  119 - QB    ALA   64   9.50 +/- 0.96   4.386% *  0.0443% (0.34  1.00   0.02   0.02) =   0.005%
          QB    MET   11 - QB    ALA   64  15.35 +/- 2.98   1.626% *  0.1166% (0.90  1.00   0.02   0.02) =   0.005%
          QG    GLN   90 - QB    ALA   64  16.05 +/- 1.93   0.934% *  0.0893% (0.69  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  15.31 +/- 2.08   1.017% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    ALA   64  15.80 +/- 1.94   0.947% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 6 structures by 0.79 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.26, residual support = 6.16:
        T HA    ALA   61 - QB    ALA   64   3.44 +/- 0.64  70.137% * 99.2826% (1.00 10.00   2.27   6.17) =  99.892%  kept
          HD2   PRO   68 - QB    ALA   64   6.99 +/- 0.99  11.200% *  0.6244% (0.92  1.00   0.14   0.02) =   0.100%  kept
          HA    VAL   75 - QB    ALA   64   7.17 +/- 1.18  12.338% *  0.0248% (0.25  1.00   0.02   0.02) =   0.004%
          HD3   PRO   58 - QB    ALA   64   9.95 +/- 1.14   3.160% *  0.0484% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.52 +/- 1.82   3.164% *  0.0197% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 2.65, residual support = 8.5:
          HA    VAL   18 - QB    ALA   64   5.86 +/- 4.53  46.309% * 94.9742% (0.90   2.67   8.55) =  99.493%  kept
          HA    VAL   70 - QB    ALA   64   6.12 +/- 1.13  32.729% *  0.3267% (0.41   0.02   0.02) =   0.242%  kept
          HA    SER   48 - QB    ALA   64  13.40 +/- 2.08   3.020% *  0.7517% (0.95   0.02   0.02) =   0.051%
          HA    GLN   32 - QB    ALA   64  14.03 +/- 1.95   3.782% *  0.5771% (0.73   0.02   0.02) =   0.049%
          HA    GLU-  29 - QB    ALA   64  13.92 +/- 1.60   2.908% *  0.6893% (0.87   0.02   0.02) =   0.045%
          HA    LYS+  33 - QB    ALA   64  13.82 +/- 1.76   2.528% *  0.5771% (0.73   0.02   0.02) =   0.033%
          HA    GLN  116 - QB    ALA   64  11.25 +/- 1.49   4.405% *  0.3267% (0.41   0.02   0.02) =   0.033%
          HD2   PRO   52 - QB    ALA   64  14.38 +/- 1.18   2.092% *  0.4181% (0.53   0.02   0.02) =   0.020%
          HB2   SER   82 - QB    ALA   64  17.61 +/- 1.74   1.080% *  0.7517% (0.95   0.02   0.02) =   0.018%
          HA    ALA   88 - QB    ALA   64  18.01 +/- 1.89   1.146% *  0.6073% (0.76   0.02   0.02) =   0.016%
    Distance limit 3.81 A violated in 2 structures by 0.56 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.501, support = 1.13, residual support = 0.978:
        T HA    GLN   17 - QB    ALA   64   7.91 +/- 4.32  34.928% * 93.9388% (0.49 10.00   1.17   1.01) =  96.598%  kept
        T HA    VAL   42 - QB    ALA   64   7.31 +/- 1.18  29.443% *  3.2235% (0.98 10.00   0.02   0.02) =   2.794%  kept
        T HA    PHE   55 - QB    ALA   64  13.72 +/- 2.19   7.367% *  2.2590% (0.69 10.00   0.02   0.02) =   0.490%  kept
          HA    THR   46 - QB    ALA   64  10.15 +/- 1.89  14.582% *  0.1352% (0.41  1.00   0.02   0.02) =   0.058%
          HA    SER   37 - QB    ALA   64  13.95 +/- 1.54   5.902% *  0.1601% (0.49  1.00   0.02   0.02) =   0.028%
          HA    ALA  110 - QB    ALA   64  15.62 +/- 2.96   4.686% *  0.1234% (0.38  1.00   0.02   0.02) =   0.017%
          HA    GLN   90 - QB    ALA   64  16.52 +/- 2.09   3.093% *  0.1601% (0.49  1.00   0.02   0.02) =   0.015%
    Distance limit 4.16 A violated in 11 structures by 1.71 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 8.54:
          HN    VAL   18 - QB    ALA   64   6.84 +/- 4.56  63.094% * 99.5974% (1.00   2.25   8.55) =  99.890%  kept
          HN    GLU-  29 - QB    ALA   64  12.94 +/- 1.62  24.209% *  0.1556% (0.18   0.02   0.02) =   0.060%
          HN    SER   13 - QB    ALA   64  14.39 +/- 2.12  12.697% *  0.2470% (0.28   0.02   0.02) =   0.050%
    Distance limit 3.98 A violated in 9 structures by 3.05 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.816, support = 5.75, residual support = 47.1:
        T QD    PHE   72 - QB    ALA   64   2.95 +/- 0.51  45.732% * 84.9852% (0.87 10.00   5.83  47.11) =  83.098%  kept
          HZ    PHE   72 - QB    ALA   64   2.77 +/- 0.98  52.878% * 14.9475% (0.57  1.00   5.39  47.11) =  16.900%  kept
          QE    PHE   45 - QB    ALA   64   8.84 +/- 1.54   1.390% *  0.0673% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.55 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   2.05 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.09, residual support = 158.6:
      O   HN    LYS+  65 - HA    LYS+  65   2.80 +/- 0.05  99.299% * 99.9887% (0.71  10.0   6.09 158.63) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.35 +/- 1.64   0.701% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.74, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  12.11 +/- 4.91  30.803% * 34.8898% (0.87   0.02   0.02) =  69.128%  kept
          HN    SER  117 - HA    LYS+  65  17.33 +/- 1.64   6.556% * 28.1870% (0.71   0.02   0.02) =  11.886%  kept
          HN    SER  117 - HA    LYS+ 121   9.04 +/- 0.70  43.452% *  3.1809% (0.08   0.02   0.02) =   8.891%  kept
          HN    SER   82 - HA    LYS+  65  21.91 +/- 2.23   3.618% * 26.7825% (0.67   0.02   0.02) =   6.233%  kept
          HN    GLY   16 - HA    LYS+ 121  19.25 +/- 5.16  14.193% *  3.9373% (0.10   0.02   0.02) =   3.595%  kept
          HN    SER   82 - HA    LYS+ 121  30.42 +/- 3.68   1.379% *  3.0224% (0.08   0.02   0.02) =   0.268%  kept
    Distance limit 3.54 A violated in 20 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.86, residual support = 29.2:
          HN    LYS+  65 - QB    ALA   64   2.85 +/- 0.31 100.000% *100.0000% (0.31   4.86  29.19) = 100.000%  kept
    Distance limit 3.42 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 = 4.07, residual support = 47.1:
          QE    PHE   72 - HA    ALA   64   2.45 +/- 0.51  99.303% * 99.3450% (0.65   4.07  47.11) =  99.995%  kept
          HD22  ASN   28 - HA    ALA   64  15.32 +/- 2.55   0.697% *  0.6550% (0.87   0.02   0.02) =   0.005%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.92, residual support = 4.11:
          HA    ASP-  62 - QB    LYS+  65   2.67 +/- 0.84  95.981% * 97.9690% (0.80   1.92   4.11) =  99.980%  kept
          HB    THR   26 - QB    LYS+  65  16.23 +/- 2.41   1.426% *  0.7232% (0.57   0.02   0.02) =   0.011%
          HA    SER   82 - QB    LYS+  65  21.77 +/- 2.17   0.386% *  0.8263% (0.65   0.02   0.02) =   0.003%
          HA    SER  117 - QB    LYS+  65  14.92 +/- 1.90   0.984% *  0.2844% (0.22   0.02   0.02) =   0.003%
          HA    GLU-  25 - QB    LYS+  65  19.12 +/- 3.35   1.223% *  0.1971% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.71, residual support = 158.6:
      O   HN    LYS+  65 - QB    LYS+  65   2.14 +/- 0.19 100.000% *100.0000% (0.76  10.0   6.71 158.63) = 100.000%  kept
    Distance limit 2.94 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 = 0.528, support = 6.0, residual support = 30.8:
          HN    LYS+  66 - QB    LYS+  65   2.89 +/- 0.31  89.821% * 92.6821% (0.53   6.03  30.94) =  99.519%  kept
          QD    PHE   60 - QB    LYS+  65   7.45 +/- 0.93   5.936% *  6.6862% (0.97   0.24   0.02) =   0.474%  kept
          QE    PHE   59 - QB    LYS+  65   8.66 +/- 0.85   3.830% *  0.0791% (0.14   0.02   0.02) =   0.004%
          HN    LYS+  81 - QB    LYS+  65  18.70 +/- 2.45   0.412% *  0.5527% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.39, residual support = 158.6:
          HN    LYS+  65 - HG2   LYS+  65   3.78 +/- 0.51 100.000% *100.0000% (0.31   5.39 158.63) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.839, support = 5.16, residual support = 144.0:
      O T HA    LYS+  65 - HG3   LYS+  65   3.03 +/- 0.52  65.378% * 57.2471% (0.87  10.0 10.00   5.27 158.63) =  89.799%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.05 +/- 0.70  10.810% * 39.1477% (0.59   1.0 10.00   4.20  15.73) =  10.153%  kept
        T HA    GLN   32 - HG3   LYS+ 102  16.53 +/- 5.53   1.276% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.011%
        T HA    LYS+  65 - HG3   LYS+  33  16.22 +/- 3.37   0.739% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLN   32 - HG3   LYS+  65  20.81 +/- 4.66   0.501% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HG3   LYS+  33  13.54 +/- 3.01   2.085% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 102  23.51 +/- 3.62   0.196% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 106  19.54 +/- 3.08   0.345% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HG3   LYS+ 106  20.13 +/- 2.86   0.322% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  65  13.71 +/- 4.86   1.438% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.55 +/- 3.11   0.349% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 102  21.24 +/- 7.80   0.620% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  17.12 +/- 2.43   0.499% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  33  21.50 +/- 5.31   0.575% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 106  16.57 +/- 5.94   1.137% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   LYS+  65  17.56 +/- 4.12   0.979% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG3   LYS+  65  18.27 +/- 2.37   0.464% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  65  16.06 +/- 2.67   0.789% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  33  22.22 +/- 4.92   0.846% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 106   9.45 +/- 1.58   3.513% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  22.65 +/- 6.47   0.383% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  17.45 +/- 3.65   0.864% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  18.65 +/- 4.25   0.532% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  18.01 +/- 3.86   0.591% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  22.77 +/- 2.17   0.200% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  25.26 +/- 5.66   0.231% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  25.64 +/- 4.59   0.227% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  24.17 +/- 5.60   0.262% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.28 +/- 3.36   0.187% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  18.21 +/- 4.08   0.542% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  23.84 +/- 5.84   0.259% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  16.90 +/- 2.54   0.536% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  28.16 +/- 5.02   0.136% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.59 +/- 3.30   0.090% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.25 +/- 2.74   0.092% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  24.55 +/- 3.18   0.172% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.40 +/- 1.66   0.380% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  20.54 +/- 2.66   0.305% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.00 +/- 3.07   0.121% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  19.17 +/- 2.46   0.390% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.04 +/- 2.83   0.111% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.79 +/- 1.77   0.223% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.45 +/- 3.05   0.150% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  25.77 +/- 2.85   0.159% *  0.0134% (0.20   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 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.345, support = 2.76, residual support = 22.3:
          HN    ASP- 105 - HG3   LYS+ 106   4.61 +/- 0.19  76.770% * 76.8061% (0.34   2.84  23.02) =  96.810%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.55 +/- 1.20  10.854% * 17.2008% (0.65   0.33   0.02) =   3.065%  kept
          HN    ASP- 105 - HG3   LYS+  65  19.19 +/- 3.48   1.663% *  1.2888% (0.80   0.02   0.02) =   0.035%
          HN    ASP- 105 - HG3   LYS+  33  18.07 +/- 1.78   1.401% *  1.1130% (0.69   0.02   0.02) =   0.026%
          HN    ALA   88 - HG3   LYS+ 106  17.13 +/- 4.69   2.827% *  0.3824% (0.24   0.02   0.02) =   0.018%
          HN    ALA   88 - HG3   LYS+ 102  22.84 +/- 6.38   1.282% *  0.7416% (0.46   0.02   0.02) =   0.016%
          HN    ALA   88 - HG3   LYS+  65  23.85 +/- 3.11   0.700% *  0.9112% (0.57   0.02   0.02) =   0.010%
          HN    PHE   55 - HG3   LYS+  65  16.32 +/- 2.23   2.091% *  0.2483% (0.15   0.02   0.02) =   0.009%
          HN    ALA   88 - HG3   LYS+  33  27.11 +/- 5.77   0.538% *  0.7869% (0.49   0.02   0.02) =   0.007%
          HN    PHE   55 - HG3   LYS+ 106  19.70 +/- 2.14   1.107% *  0.1042% (0.06   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+  33  27.56 +/- 3.24   0.441% *  0.2145% (0.13   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+ 102  28.93 +/- 1.96   0.327% *  0.2021% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.22, residual support = 117.2:
      O   HN    LYS+  66 - HA    LYS+  66   2.88 +/- 0.06  94.783% * 99.6126% (0.53  10.0   5.22 117.24) =  99.995%  kept
          QD    PHE   60 - HA    LYS+  66  10.84 +/- 0.80   1.910% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - HA    LYS+  66  10.49 +/- 2.11   3.021% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+  66  22.58 +/- 3.59   0.287% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 5.37, residual support = 117.2:
      O   HN    LYS+  66 - QB    LYS+  66   2.38 +/- 0.20  91.338% * 99.6126% (0.53  10.0   5.37 117.24) =  99.994%  kept
          QD    PHE   60 - QB    LYS+  66   8.93 +/- 0.79   1.900% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   7.97 +/- 2.20   6.319% *  0.0256% (0.14   1.0   0.02   0.02) =   0.002%
          HN    LYS+  81 - QB    LYS+  66  20.04 +/- 3.51   0.442% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 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 = 0.515, support = 4.95, residual support = 114.9:
          HN    LYS+  66 - QG    LYS+  66   3.07 +/- 0.74  59.667% * 93.1668% (0.53   4.98 117.24) =  97.762%  kept
          HN    LYS+  66 - HG    LEU   67   4.98 +/- 0.94  23.676% *  5.2670% (0.04   3.66  14.78) =   2.193%  kept
          QD    PHE   60 - QG    LYS+  66   9.40 +/- 1.18   2.340% *  0.6859% (0.97   0.02   0.02) =   0.028%
          QE    PHE   59 - QG    LYS+  66   8.55 +/- 2.50   5.000% *  0.0962% (0.14   0.02   0.02) =   0.008%
          HN    LYS+  81 - QG    LYS+  66  20.30 +/- 3.85   0.402% *  0.6723% (0.95   0.02   0.02) =   0.005%
          QD    PHE   60 - HG    LEU   67  10.21 +/- 1.76   2.462% *  0.0528% (0.07   0.02   0.02) =   0.002%
          QE    PHE   59 - HG    LEU   67   9.97 +/- 3.07   6.048% *  0.0074% (0.01   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG    LEU   67  20.77 +/- 3.03   0.404% *  0.0518% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.98, residual support = 117.1:
          HN    LYS+  66 - QD    LYS+  66   4.21 +/- 0.41  59.288% * 98.2258% (0.53   4.98 117.24) =  99.905%  kept
          QD    PHE   60 - QD    LYS+  66  10.29 +/- 0.93   4.400% *  0.7236% (0.97   0.02   0.02) =   0.055%
          QE    PHE   59 - QD    LYS+  66   9.31 +/- 2.36   9.213% *  0.1015% (0.14   0.02   0.02) =   0.016%
          HN    LYS+  81 - QD    LYS+  66  21.24 +/- 4.28   0.893% *  0.7093% (0.95   0.02   0.02) =   0.011%
          QD    PHE   60 - HD2   LYS+ 121  12.96 +/- 2.38   4.098% *  0.0900% (0.12   0.02   0.02) =   0.006%
          QE    PHE   59 - HD2   LYS+ 121   6.89 +/- 1.38  18.832% *  0.0126% (0.02   0.02   0.02) =   0.004%
          HN    LYS+  66 - HD2   LYS+ 121  13.86 +/- 3.05   2.950% *  0.0491% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HD2   LYS+ 121  27.66 +/- 3.31   0.326% *  0.0882% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.6, residual support = 59.9:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  68.753% * 41.3336% (0.47  10.0 10.00   3.03  60.34) =  72.232%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.62 +/- 0.29  22.790% * 46.3968% (0.53  10.0  1.00   5.13  60.34) =  26.876%  kept
          QG    LYS+  66 - HB2   LEU   67   6.08 +/- 1.03   3.089% * 10.7986% (0.61   1.0  1.00   4.05  14.78) =   0.848%  kept
        T HG    LEU   40 - HB2   LEU   67   7.82 +/- 2.23   2.414% *  0.5337% (0.61   1.0 10.00   0.02   0.02) =   0.033%
        T HB3   LEU  115 - HB2   LEU   67  13.28 +/- 3.22   0.591% *  0.5337% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU  115 - HB2   LEU   67  14.33 +/- 3.64   0.380% *  0.1777% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HB2   LEU   67   8.84 +/- 1.06   0.625% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.54 +/- 1.39   0.275% *  0.0617% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.53 +/- 4.32   0.578% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  19.72 +/- 4.54   0.081% *  0.0638% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  13.74 +/- 3.18   0.232% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  18.86 +/- 3.56   0.098% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.23 +/- 2.72   0.095% *  0.0178% (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 = 60.3:
      O T QD1   LEU   67 - HB2   LEU   67   2.47 +/- 0.29  80.910% * 97.8096% (0.70  10.0 10.00   3.25  60.34) =  99.864%  kept
          QD2   LEU   71 - HB2   LEU   67   7.23 +/- 1.58   6.561% *  0.9327% (0.22   1.0  1.00   0.60   0.02) =   0.077%
        T QD2   LEU   40 - HB2   LEU   67   7.78 +/- 1.69   4.111% *  0.9934% (0.71   1.0 10.00   0.02   0.02) =   0.052%
          HG3   LYS+  74 - HB2   LEU   67  10.15 +/- 2.93   4.006% *  0.0812% (0.58   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   75 - HB2   LEU   67  10.36 +/- 2.04   2.249% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   LEU   67  13.97 +/- 2.94   0.850% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  13.63 +/- 3.19   1.313% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.3:
          HA    LEU   67 - QD2   LEU   67   2.81 +/- 0.67  95.182% * 98.8214% (0.53   2.76  60.34) =  99.940%  kept
          HA    ASP-  76 - QD2   LEU   67  11.96 +/- 2.32   4.818% *  1.1786% (0.87   0.02   0.02) =   0.060%
    Distance limit 3.03 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.08, residual support = 60.2:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  70.474% * 96.8242% (0.73  10.0  1.00   3.09  60.34) =  99.756%  kept
        T HG    LEU   40 - QD1   LEU   67   6.58 +/- 2.18  14.931% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.177%  kept
        T HB2   LYS+  74 - QD1   LEU   67   7.23 +/- 2.35   5.602% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.034%
        T HG    LEU  115 - QD1   LEU   67  11.79 +/- 2.86   1.019% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.020%
          HB3   LEU   40 - QD1   LEU   67   7.09 +/- 1.71   3.832% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.007%
        T HG    LEU   73 - QD1   LEU   67   8.92 +/- 1.28   1.160% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU  115 - QD1   LEU   67  10.79 +/- 2.75   1.249% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QD1   LEU   67  11.87 +/- 2.71   0.728% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.87 +/- 2.16   0.743% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.79 +/- 3.73   0.261% *  0.0332% (0.25   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 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.325, support = 3.21, residual support = 59.2:
      O T HB2   LEU   67 - QD1   LEU   67   2.47 +/- 0.29  73.784% * 75.9882% (0.31  10.0 10.00   3.25  60.34) =  97.196%  kept
          HG2   PRO   68 - QD1   LEU   67   6.65 +/- 0.99   6.934% * 22.9511% (0.92   1.0  1.00   2.02  19.03) =   2.759%  kept
          HB    ILE   19 - QD1   LEU   67   9.00 +/- 4.00   6.229% *  0.2136% (0.87   1.0  1.00   0.02   0.02) =   0.023%
          HB2   GLN   17 - QD1   LEU   67   9.92 +/- 4.79   6.962% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU  115 - QD1   LEU   67  11.71 +/- 2.73   1.499% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QD1   LEU   67  12.88 +/- 2.83   1.269% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QD1   LEU   67  10.48 +/- 3.51   2.079% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   LEU   67  13.28 +/- 1.47   0.541% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  17.08 +/- 1.76   0.315% *  0.1104% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   LEU   67  16.75 +/- 3.25   0.387% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.2, residual support = 60.3:
      O   QD2   LEU   67 - HG    LEU   67   2.10 +/- 0.02  78.411% * 99.2738% (0.87  10.0  1.00   3.20  60.34) =  99.961%  kept
        T QD1   LEU   40 - HG    LEU   67   7.18 +/- 1.89   4.245% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.038%
          QD2   LEU   67 - QG    LYS+  66   5.19 +/- 0.94   7.284% *  0.0076% (0.07   1.0  1.00   0.02  14.78) =   0.001%
          QG2   ILE  119 - HG    LEU   67  11.29 +/- 3.34   1.688% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.82 +/- 2.00   2.012% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   8.38 +/- 3.46   6.359% *  0.0014% (0.01   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  12.55 +/- 2.48  26.384% * 52.9912% (0.98   0.02   0.02) =  47.944%  kept
          QG1   VAL   83 - QD1   LEU   67  12.05 +/- 2.38  27.551% * 34.9728% (0.65   0.02   0.02) =  33.042%  kept
          QD1   LEU  104 - QD1   LEU   67   9.94 +/- 3.16  46.066% * 12.0360% (0.22   0.02   0.02) =  19.013%  kept
    Distance limit 3.23 A violated in 20 structures by 5.16 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.871, support = 3.07, residual support = 25.1:
        T HZ    PHE   72 - QD1   LEU   67   3.14 +/- 0.52  58.696% * 75.7718% (0.97 10.00   3.39  25.14) =  82.944%  kept
        T QD    PHE   72 - QD1   LEU   67   3.94 +/- 0.86  37.774% * 24.2087% (0.41 10.00   1.50  25.14) =  17.054%  kept
          QE    PHE   45 - QD1   LEU   67   9.15 +/- 1.64   3.531% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 3.91, residual support = 25.1:
          QE    PHE   72 - QD1   LEU   67   2.67 +/- 0.58  87.662% * 99.2355% (0.80   3.91  25.14) =  99.967%  kept
          QD    PHE   95 - QD1   LEU   67   8.46 +/- 2.51  11.118% *  0.1957% (0.31   0.02   0.02) =   0.025%
          HN    ALA   47 - QD1   LEU   67  13.56 +/- 1.67   1.220% *  0.5687% (0.90   0.02   0.02) =   0.008%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.604, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  17.66 +/- 3.65   6.821% * 57.9196% (0.73 10.00   0.02   0.02) =  52.630%  kept
        T HA    LEU  115 - HG    LEU   67  14.05 +/- 3.61  11.849% * 15.7849% (0.20 10.00   0.02   0.02) =  24.916%  kept
          HA    ALA  124 - HG    LEU   67  17.65 +/- 4.75   8.478% *  6.6623% (0.84  1.00   0.02   0.02) =   7.524%  kept
          HA    GLU-  36 - HG    LEU   67  18.86 +/- 2.62   6.054% *  7.5452% (0.95  1.00   0.02   0.02) =   6.085%  kept
          HA    LYS+  81 - HG    LEU   67  21.02 +/- 3.04   4.561% *  7.9057% (0.99  1.00   0.02   0.02) =   4.803%  kept
          HA    ASN   28 - HG    LEU   67  17.62 +/- 2.03   5.615% *  1.7758% (0.22  1.00   0.02   0.02) =   1.328%  kept
          HA    ALA  124 - QG    LYS+  66  14.43 +/- 4.23  13.737% *  0.5129% (0.06  1.00   0.02   0.02) =   0.939%  kept
          HA    ARG+  54 - QG    LYS+  66  14.67 +/- 2.13   9.831% *  0.4459% (0.06  1.00   0.02   0.02) =   0.584%  kept
          HA    LYS+  81 - QG    LYS+  66  20.42 +/- 3.84   6.357% *  0.6086% (0.08  1.00   0.02   0.02) =   0.515%  kept
          HA    GLU-  36 - QG    LYS+  66  20.21 +/- 2.91   3.761% *  0.5808% (0.07  1.00   0.02   0.02) =   0.291%  kept
          HA    LEU  115 - QG    LYS+  66  12.65 +/- 3.22  15.848% *  0.1215% (0.02  1.00   0.02   0.02) =   0.257%  kept
          HA    ASN   28 - QG    LYS+  66  18.77 +/- 3.86   7.089% *  0.1367% (0.02  1.00   0.02   0.02) =   0.129%  kept
    Distance limit 4.06 A violated in 19 structures by 4.95 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.83, residual support = 60.1:
      O   HA    LEU   67 - HG    LEU   67   3.30 +/- 0.50  72.915% * 98.0792% (0.15  10.0   3.83  60.34) =  99.567%  kept
          HA    LEU   67 - QG    LYS+  66   5.18 +/- 0.81  23.767% *  1.2601% (0.01   1.0   3.34  14.78) =   0.417%  kept
          HA    ASP-  76 - HG    LEU   67  13.74 +/- 2.12   1.731% *  0.6135% (0.97   1.0   0.02   0.02) =   0.015%
          HA    ASP-  76 - QG    LYS+  66  13.79 +/- 2.47   1.586% *  0.0472% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 0.523, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  13.50 +/- 1.61   7.480% * 26.7757% (0.87   0.02   0.02) =  30.808%  kept
          QE    PHE   95 - HG    LEU   67  11.60 +/- 3.15  13.524% * 11.5851% (0.38   0.02   0.02) =  24.100%  kept
          QD    PHE   60 - HG    LEU   67  10.21 +/- 1.76  16.997% *  5.4059% (0.18   0.02   0.02) =  14.134%  kept
          QD    PHE   55 - HG    LEU   67  17.58 +/- 2.11   2.952% * 24.7171% (0.80   0.02   0.02) =  11.224%  kept
          HN    LYS+  81 - HG    LEU   67  20.77 +/- 3.03   2.903% * 13.8391% (0.45   0.02   0.02) =   6.179%  kept
          HN    THR   23 - HG    LEU   67  17.63 +/- 2.60   3.552% * 10.5293% (0.34   0.02   0.02) =   5.752%  kept
          QE    PHE   95 - QG    LYS+  66  10.81 +/- 2.68  15.448% *  0.8918% (0.03   0.02   0.02) =   2.119%  kept
          HE3   TRP   27 - QG    LYS+  66  15.00 +/- 2.73   6.206% *  2.0612% (0.07   0.02   0.02) =   1.967%  kept
          QD    PHE   55 - QG    LYS+  66  14.74 +/- 1.89   5.287% *  1.9027% (0.06   0.02   0.02) =   1.547%  kept
          QD    PHE   60 - QG    LYS+  66   9.40 +/- 1.18  19.012% *  0.4162% (0.01   0.02   0.02) =   1.217%  kept
          HN    LYS+  81 - QG    LYS+  66  20.30 +/- 3.85   3.182% *  1.0653% (0.03   0.02   0.02) =   0.521%  kept
          HN    THR   23 - QG    LYS+  66  17.87 +/- 2.66   3.459% *  0.8106% (0.03   0.02   0.02) =   0.431%  kept
    Distance limit 3.85 A violated in 19 structures by 3.57 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.3, support = 3.02, residual support = 59.8:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  92.188% * 74.8091% (0.29  10.0 10.00   3.03  60.34) =  98.646%  kept
          HG2   PRO   68 - HB3   LEU   67   5.96 +/- 1.12   4.187% * 22.2545% (0.87   1.0  1.00   1.99  19.03) =   1.333%  kept
        T HB    ILE   19 - HB3   LEU   67  11.41 +/- 3.94   0.543% *  2.1024% (0.82   1.0 10.00   0.02   0.02) =   0.016%
          HB2   LEU  115 - HB3   LEU   67  14.02 +/- 3.64   1.089% *  0.1665% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - HB3   LEU   67  15.55 +/- 3.51   0.290% *  0.1941% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HB3   LEU   67  11.83 +/- 5.18   0.749% *  0.0674% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HB3   LEU   67  12.19 +/- 3.80   0.640% *  0.0674% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HB3   LEU   67  15.51 +/- 1.86   0.151% *  0.1760% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.21 +/- 3.87   0.110% *  0.0540% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  21.50 +/- 1.50   0.053% *  0.1087% (0.42   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 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  13.56 +/- 1.90 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.75 A violated in 20 structures by 9.81 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.39, residual support = 60.3:
      O   HN    LEU   67 - HB3   LEU   67   3.00 +/- 0.63  86.636% * 99.4441% (0.54  10.0   4.39  60.34) =  99.991%  kept
          QE    PHE   95 - HB3   LEU   67  11.21 +/- 3.43  10.139% *  0.0348% (0.19   1.0   0.02   0.02) =   0.004%
          HD2   HIS   22 - HB3   LEU   67  16.86 +/- 3.19   0.897% *  0.1722% (0.93   1.0   0.02   0.02) =   0.002%
          HD21  ASN   35 - HB3   LEU   67  17.75 +/- 2.72   0.996% *  0.1524% (0.82   1.0   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB3   LEU   67  21.23 +/- 3.86   0.645% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  17.09 +/- 1.93   0.687% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 60.3:
      O   HA    LEU   67 - HB2   LEU   67   2.65 +/- 0.27  99.135% * 99.8354% (0.38  10.0   5.08  60.34) =  99.999%  kept
          HA    ASP-  76 - HB2   LEU   67  13.89 +/- 1.87   0.865% *  0.1646% (0.63   1.0   0.02   0.02) =   0.001%
    Distance limit 3.87 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 = 3.12, residual support = 25.1:
          QE    PHE   72 - HB2   LEU   67   3.38 +/- 1.29  94.584% * 99.0456% (0.58   3.12  25.14) =  99.980%  kept
          QD    PHE   95 - HB2   LEU   67  10.97 +/- 2.85   4.207% *  0.2444% (0.22   0.02   0.02) =   0.011%
          HN    ALA   47 - HB2   LEU   67  17.44 +/- 2.64   1.208% *  0.7101% (0.65   0.02   0.02) =   0.009%
    Distance limit 3.81 A violated in 1 structures by 0.36 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.13, residual support = 60.3:
      O   HN    LEU   67 - HB2   LEU   67   3.11 +/- 0.61  91.185% * 99.6033% (0.70  10.0   5.13  60.34) =  99.995%  kept
          QE    PHE   95 - HB2   LEU   67  11.58 +/- 3.19   3.208% *  0.0626% (0.44   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB2   LEU   67  16.84 +/- 3.25   0.863% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  17.10 +/- 1.85   0.751% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  21.61 +/- 3.80   0.456% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  12.67 +/- 1.49   2.078% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  17.54 +/- 2.69   0.817% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.65 +/- 2.33   0.643% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.93, residual support = 25.1:
        T HZ    PHE   72 - HB2   LEU   67   4.66 +/- 1.24  95.486% * 99.9822% (0.63 10.00   2.93  25.14) =  99.999%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.50 +/- 2.67   4.514% *  0.0178% (0.11  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 4 structures by 0.78 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.544, support = 4.02, residual support = 63.2:
      O T HA    VAL   24 - HB    VAL   24   2.45 +/- 0.21  76.525% * 82.3820% (0.57  10.0 10.00   3.94  64.79) =  94.565%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.78 +/- 0.18  22.097% * 16.3856% (0.11  10.0  1.00   5.47  36.23) =   5.431%  kept
        T HA    VAL   24 - HB2   PRO   68  21.34 +/- 2.97   0.151% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB2   PRO   68  14.06 +/- 3.66   0.892% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB    VAL   24  19.35 +/- 1.30   0.171% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  21.11 +/- 3.36   0.163% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.22, residual support = 64.8:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  92.861% * 98.0584% (0.63  10.0 10.00   3.22  64.79) =  99.993%  kept
        T QG1   VAL   24 - HB2   PRO   68  20.23 +/- 3.14   0.155% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HB    VAL   24  21.43 +/- 5.18   1.157% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB    VAL   24  16.57 +/- 3.93   1.142% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PRO   68  21.79 +/- 4.46   0.480% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.27 +/- 0.68   0.639% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   PRO   68  17.46 +/- 3.83   0.481% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.02 +/- 1.39   1.672% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.50 +/- 2.80   0.410% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  23.62 +/- 6.62   0.297% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.78 +/- 2.45   0.288% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.94 +/- 2.66   0.419% *  0.0258% (0.17   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.352, support = 5.68, residual support = 30.9:
      O   HN    ASN   69 - HB2   PRO   68   3.57 +/- 0.73  47.128% * 67.1159% (0.34  10.0   5.84  31.34) =  79.109%  kept
          HN    GLU-  25 - HB    VAL   24   3.92 +/- 0.36  36.791% * 17.5038% (0.31   1.0   5.87  33.65) =  16.107%  kept
          HN    ASN   28 - HB    VAL   24   5.63 +/- 0.40  12.776% * 14.9507% (0.66   1.0   2.33  14.35) =   4.777%  kept
          HN    ASP-  44 - HB    VAL   24  12.94 +/- 1.89   1.676% *  0.0647% (0.33   1.0   0.02   0.02) =   0.003%
          HN    ASN   28 - HB2   PRO   68  20.69 +/- 3.10   0.409% *  0.1576% (0.81   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   PRO   68  14.99 +/- 2.07   0.706% *  0.0795% (0.41   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  23.75 +/- 2.93   0.220% *  0.0732% (0.37   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  21.14 +/- 2.55   0.294% *  0.0547% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 64.8:
      O   HN    VAL   24 - HB    VAL   24   2.51 +/- 0.31  99.771% * 99.8774% (0.33  10.0   4.68  64.79) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.13 +/- 2.92   0.229% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.07, residual support = 36.2:
      O   HD3   PRO   68 - HG2   PRO   68   2.60 +/- 0.30  95.339% * 99.5120% (0.57  10.0   3.07  36.23) =  99.995%  kept
          HB3   CYS   53 - HG2   PRO   68  21.03 +/- 4.06   1.958% *  0.1168% (0.67   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   PRO   68  21.97 +/- 4.38   0.711% *  0.1033% (0.60   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HG2   PRO   68  22.61 +/- 5.46   0.585% *  0.1189% (0.69   1.0   0.02   0.02) =   0.001%
          QB    PHE   55 - HG2   PRO   68  19.57 +/- 2.97   0.581% *  0.0910% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   68  14.59 +/- 2.82   0.827% *  0.0580% (0.33   1.0   0.02   0.02) =   0.001%
    Distance limit 3.78 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 = 36.2:
      O   HD2   PRO   68 - HG2   PRO   68   2.59 +/- 0.29  96.485% * 99.8205% (0.63  10.0   2.91  36.23) =  99.999%  kept
          HA    ALA   61 - HG2   PRO   68  12.58 +/- 1.48   1.034% *  0.0826% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LYS+  38 - HG2   PRO   68  14.45 +/- 3.87   1.770% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  20.93 +/- 3.35   0.250% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.29 +/- 2.58   0.461% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 4.81, residual support = 63.5:
      O   HD3   PRO   68 - HG3   PRO   68   2.60 +/- 0.30  44.107% * 69.4245% (0.84  10.0  1.00   4.80  36.23) =  77.908%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.78 +/- 0.25  36.870% * 22.1299% (0.27  10.0 10.00   4.92 168.99) =  20.759%  kept
          QB    PHE   55 - HG2   ARG+  54   5.15 +/- 1.42  11.388% *  2.9838% (0.20   1.0  1.00   3.52   4.16) =   0.865%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.26 +/- 0.91   4.205% *  4.3263% (0.26   1.0  1.00   3.98  31.70) =   0.463%  kept
        T HD2   ARG+  54 - HG3   PRO   68  22.51 +/- 5.28   0.155% *  0.8293% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HG2   ARG+  54  10.64 +/- 2.94   1.439% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG3   PRO   68  20.96 +/- 3.78   0.222% *  0.0815% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.38 +/- 2.66   0.419% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.91 +/- 4.43   0.211% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.45 +/- 2.82   0.135% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.89 +/- 1.29   0.700% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  20.14 +/- 3.84   0.148% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.2:
      O   HD2   PRO   68 - HG3   PRO   68   2.59 +/- 0.29  89.394% * 99.5569% (0.92  10.0  1.00   4.62  36.23) =  99.995%  kept
        T HA    LYS+  38 - HG3   PRO   68  14.58 +/- 3.94   1.678% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   61 - HG3   PRO   68  12.58 +/- 1.60   1.072% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG2   ARG+  54  12.22 +/- 2.37   1.377% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  21.09 +/- 3.47   0.358% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   7.87 +/- 1.32   4.741% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  20.45 +/- 4.18   0.535% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.14 +/- 2.58   0.423% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.33 +/- 4.80   0.344% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  29.37 +/- 3.68   0.078% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.16, residual support = 36.2:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  87.502% * 98.5022% (0.98  10.0 10.00   5.16  36.23) =  99.996%  kept
        T HD3   PRO   93 - HD2   PRO   68  20.33 +/- 3.74   0.118% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HD3   PRO   58  12.21 +/- 3.52   0.619% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   4.61 +/- 0.60   5.672% *  0.0070% (0.07   1.0  1.00   0.02  39.92) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.22 +/- 2.44   0.297% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  19.42 +/- 3.54   0.317% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.33 +/- 0.85   2.193% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  18.34 +/- 2.57   0.128% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  15.57 +/- 2.27   0.152% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.32 +/- 1.62   1.441% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  21.33 +/- 4.92   0.118% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.89 +/- 2.15   1.445% *  0.0058% (0.06   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.16, residual support = 36.2:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  96.076% * 99.4504% (0.92  10.0 10.00   5.16  36.23) =  99.998%  kept
          HA    ALA   61 - HD3   PRO   68  10.53 +/- 1.43   0.517% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  13.72 +/- 3.76   1.912% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  15.57 +/- 2.27   0.167% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  20.33 +/- 3.74   0.129% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  12.21 +/- 3.52   0.680% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  19.73 +/- 2.88   0.093% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  14.65 +/- 3.24   0.305% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.92 +/- 2.66   0.094% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.90 +/- 1.83   0.028% *  0.0031% (0.03   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 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.12, residual support = 19.0:
      O   HA    LEU   67 - HD3   PRO   68   2.56 +/- 0.61  97.130% * 99.7870% (0.53  10.0   5.12  19.03) =  99.998%  kept
          HA    ASP-  76 - HD3   PRO   68  16.51 +/- 2.49   1.010% *  0.1645% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ASP-  76 - HD3   PRO   93  11.88 +/- 1.64   1.329% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  18.88 +/- 3.12   0.531% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.52, residual support = 19.0:
      O   HA    LEU   67 - HD2   PRO   68   2.49 +/- 0.44  96.776% * 99.8155% (0.53  10.0   4.52  19.03) =  99.998%  kept
          HA    ASP-  76 - HD2   PRO   68  16.80 +/- 2.26   0.730% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  14.93 +/- 3.85   1.954% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.01 +/- 1.77   0.541% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 59.2:
      O   HD21  ASN   69 - HB2   ASN   69   3.11 +/- 0.54  93.625% * 99.5864% (0.65  10.0   3.62  59.18) =  99.993%  kept
          HN    GLN   17 - HB2   ASN   69  11.68 +/- 4.68   4.360% *  0.1286% (0.84   1.0   0.02   0.02) =   0.006%
          HN    ALA   61 - HB2   ASN   69  15.58 +/- 2.34   1.136% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  24.43 +/- 4.86   0.436% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  26.57 +/- 3.82   0.238% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  26.62 +/- 3.47   0.205% *  0.0384% (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 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.38, residual support = 59.2:
      O   HN    ASN   69 - HB2   ASN   69   3.49 +/- 0.37  96.752% * 99.9414% (0.97  10.0   5.38  59.18) =  99.999%  kept
          HN    GLY  101 - HB2   ASN   69  15.80 +/- 5.78   2.493% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  19.63 +/- 2.12   0.754% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.58, residual support = 59.2:
      O   HD21  ASN   69 - HB3   ASN   69   2.77 +/- 0.63  95.888% * 99.7810% (0.99  10.0   3.58  59.18) =  99.996%  kept
          HN    GLN   17 - HB3   ASN   69  11.63 +/- 4.81   3.714% *  0.0987% (0.98   1.0   0.02   0.02) =   0.004%
          HN    TRP   87 - HB3   ASN   69  26.19 +/- 3.95   0.160% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  24.02 +/- 5.03   0.239% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.87, residual support = 59.2:
      O   HN    ASN   69 - HB3   ASN   69   3.11 +/- 0.56  97.927% * 99.9414% (0.97  10.0   4.87  59.18) = 100.000%  kept
          HN    ASN   28 - HB3   ASN   69  19.64 +/- 2.03   0.589% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   ASN   69  15.95 +/- 5.85   1.484% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.05, residual support = 59.0:
          HD21  ASN   69 - HA    ASN   69   3.73 +/- 0.75  80.592% * 89.7388% (0.20   3.06  59.18) =  99.658%  kept
          HN    GLN   17 - HA    ASN   69  10.40 +/- 5.56  14.537% *  1.0125% (0.34   0.02   0.02) =   0.203%  kept
          HN    ALA   61 - HA    ASN   69  14.67 +/- 2.00   2.188% *  2.3767% (0.80   0.02   0.02) =   0.072%
          HE3   TRP   87 - HA    ASN   69  23.53 +/- 4.70   0.871% *  2.9419% (0.99   0.02   0.02) =   0.035%
          HN    ALA   91 - HA    ASN   69  25.53 +/- 3.78   0.500% *  2.1553% (0.73   0.02   0.02) =   0.015%
          HN    TRP   27 - HA    ASN   69  18.38 +/- 1.70   0.870% *  1.1140% (0.38   0.02   0.02) =   0.013%
          HN    TRP   87 - HA    ASN   69  25.49 +/- 3.72   0.442% *  0.6608% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.88 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  13.85 +/- 2.25 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.68 A violated in 20 structures by 10.17 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.375, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.11 +/- 0.40   8.099% * 37.0886% (0.42 10.00   0.02   0.02) =  45.809%  kept
        T QB    ALA   88 - HA    SER   48  12.05 +/- 2.89   8.496% * 17.4364% (0.20 10.00   0.02   0.02) =  22.592%  kept
          QG2   THR   77 - HA    SER   48   6.89 +/- 1.76  23.937% *  1.9923% (0.23  1.00   0.02   0.02) =   7.273%  kept
          QG2   THR   77 - HB2   SER   82  10.05 +/- 1.33   9.877% *  4.2379% (0.48  1.00   0.02   0.02) =   6.383%  kept
          HG2   LYS+  99 - HA    VAL   70  11.86 +/- 5.06   8.912% *  3.6274% (0.41  1.00   0.02   0.02) =   4.930%  kept
          HG2   LYS+  38 - HA    VAL   70  11.31 +/- 2.75   6.147% *  4.6421% (0.53  1.00   0.02   0.02) =   4.351%  kept
          QG2   THR   77 - HA    VAL   70  15.06 +/- 1.29   2.559% *  8.7452% (0.99  1.00   0.02   0.02) =   3.413%  kept
          QB    ALA   88 - HA    VAL   70  21.92 +/- 2.39   0.830% *  7.6536% (0.87  1.00   0.02   0.02) =   0.969%  kept
          QG2   THR   23 - HB2   SER   82  16.10 +/- 7.61   5.638% *  0.9519% (0.11  1.00   0.02   0.02) =   0.818%  kept
          QG2   THR   23 - HA    VAL   70  16.25 +/- 1.77   2.560% *  1.9644% (0.22  1.00   0.02   0.02) =   0.767%  kept
          HB2   LEU   31 - HA    VAL   70  13.30 +/- 2.32   3.591% *  1.3614% (0.15  1.00   0.02   0.02) =   0.745%  kept
          HG2   LYS+ 111 - HA    SER   48  19.24 +/- 4.88   6.183% *  0.3978% (0.05  1.00   0.02   0.02) =   0.375%  kept
          HB2   LEU   31 - HB2   SER   82  20.78 +/- 8.26   3.606% *  0.6597% (0.07  1.00   0.02   0.02) =   0.363%  kept
          QG2   THR   23 - HA    SER   48  16.35 +/- 4.09   4.731% *  0.4475% (0.05  1.00   0.02   0.02) =   0.323%  kept
          HG2   LYS+ 111 - HA    VAL   70  22.30 +/- 3.29   1.040% *  1.7461% (0.20  1.00   0.02   0.02) =   0.277%  kept
          HG2   LYS+  99 - HB2   SER   82  26.63 +/- 5.97   0.805% *  1.7578% (0.20  1.00   0.02   0.02) =   0.216%  kept
          HG2   LYS+  38 - HB2   SER   82  29.04 +/- 5.61   0.512% *  2.2495% (0.25  1.00   0.02   0.02) =   0.176%  kept
          HB2   LEU   31 - HA    SER   48  23.08 +/- 3.60   1.314% *  0.3102% (0.04  1.00   0.02   0.02) =   0.062%
          HG2   LYS+ 111 - HB2   SER   82  27.26 +/- 3.27   0.463% *  0.8462% (0.10  1.00   0.02   0.02) =   0.060%
          HG2   LYS+  99 - HA    SER   48  27.62 +/- 1.93   0.398% *  0.8264% (0.09  1.00   0.02   0.02) =   0.050%
          HG2   LYS+  38 - HA    SER   48  30.25 +/- 1.92   0.302% *  1.0576% (0.12  1.00   0.02   0.02) =   0.049%
    Distance limit 3.58 A violated in 16 structures by 2.30 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 34.9:
      O   HN    LEU   71 - HA    VAL   70   2.22 +/- 0.04  97.222% * 99.7573% (0.87  10.0   5.93  34.90) =  99.999%  kept
          HN    GLU- 114 - HA    VAL   70  19.30 +/- 3.63   0.240% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   SER   82  19.35 +/- 8.50   0.675% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  16.88 +/- 3.53   0.408% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.44 +/- 1.49   0.217% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  19.48 +/- 3.31   0.389% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  24.48 +/- 2.84   0.083% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  21.62 +/- 2.58   0.140% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  20.45 +/- 4.67   0.296% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.33 +/- 2.76   0.059% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  19.36 +/- 2.29   0.207% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  27.22 +/- 2.99   0.064% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.846, support = 3.45, residual support = 50.5:
        T HZ    PHE   72 - HB    VAL   70   4.63 +/- 0.77  13.895% * 93.3121% (1.00 10.00   3.30  50.71) =  78.069%  kept
          QD    PHE   72 - HB    VAL   70   2.69 +/- 0.71  60.770% *  5.8645% (0.31  1.00   4.06  50.71) =  21.459%  kept
        T HZ    PHE   72 - QG    GLN   17  10.56 +/- 4.34   9.298% *  0.7374% (0.19 10.00   0.09   0.02) =   0.413%  kept
          QD    PHE   72 - QG    GLN   17   8.71 +/- 3.60  14.649% *  0.0667% (0.06  1.00   0.25   0.02) =   0.059%
          QE    PHE   45 - HB    VAL   70  11.90 +/- 1.44   0.817% *  0.0164% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  15.75 +/- 2.96   0.572% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.54, residual support = 50.6:
          QE    PHE   72 - HB    VAL   70   2.40 +/- 0.81  79.270% * 97.8382% (0.73   4.55  50.71) =  99.706%  kept
          QE    PHE   72 - QG    GLN   17   8.98 +/- 3.82  18.098% *  1.2337% (0.13   0.31   0.02) =   0.287%  kept
          QD    PHE   95 - HB    VAL   70  10.56 +/- 2.10   1.317% *  0.2223% (0.38   0.02   0.02) =   0.004%
          HN    ALA   47 - HB    VAL   70  17.59 +/- 2.49   0.256% *  0.5604% (0.95   0.02   0.02) =   0.002%
          HN    ALA   47 - QG    GLN   17  18.78 +/- 4.58   0.461% *  0.1041% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  14.70 +/- 2.23   0.598% *  0.0413% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.46, residual support = 79.5:
      O   HN    VAL   70 - HB    VAL   70   2.76 +/- 0.36  92.104% * 99.9336% (0.76  10.0   4.46  79.45) =  99.998%  kept
          HN    VAL   70 - QG    GLN   17   9.87 +/- 4.65   6.835% *  0.0186% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB    VAL   70  17.39 +/- 1.41   0.483% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.00 +/- 5.01   0.578% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.77, residual support = 79.4:
          HN    VAL   70 - QG1   VAL   70   2.45 +/- 0.62  98.085% * 98.2582% (0.28   4.77  79.45) =  99.983%  kept
          HN    GLU-  79 - QG1   VAL   70  15.79 +/- 1.54   0.914% *  1.1859% (0.80   0.02   0.02) =   0.011%
          HN    THR   94 - QG1   VAL   70  12.95 +/- 1.51   1.002% *  0.5558% (0.38   0.02   0.02) =   0.006%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.565, support = 1.35, residual support = 0.504:
          HN    VAL   42 - QG2   VAL   70   4.03 +/- 1.86  52.929% * 28.0331% (0.52   1.17   0.48) =  46.383%  kept
          HN    LEU   73 - QG2   VAL   70   6.07 +/- 0.63  24.618% * 45.8907% (0.52   1.91   0.71) =  35.316%  kept
          HN    ILE   19 - QG2   VAL   70   7.64 +/- 2.84  22.452% * 26.0762% (0.77   0.73   0.16) =  18.302%  kept
    Distance limit 3.92 A violated in 1 structures by 0.39 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.671, support = 5.56, residual support = 34.1:
        T HG    LEU   40 - QG2   VAL   70   3.38 +/- 1.83  29.880% * 47.4113% (0.80 10.00   6.34  35.75) =  70.812%  kept
        T HB3   LEU   40 - QG2   VAL   70   3.96 +/- 2.07  25.091% * 19.5347% (0.33 10.00   3.99  35.75) =  24.500%  kept
        T HG    LEU   73 - QG2   VAL   70   8.05 +/- 1.01   2.512% * 30.7388% (0.52 10.00   2.34   0.71) =   3.860%  kept
          HG    LEU   67 - QG2   VAL   70   5.22 +/- 1.41   8.660% *  1.2079% (0.79  1.00   0.51   0.27) =   0.523%  kept
          HB3   LEU   67 - QG2   VAL   70   4.16 +/- 1.22  18.918% *  0.2291% (0.22  1.00   0.35   0.27) =   0.217%  kept
        T HB3   LEU  115 - QG2   VAL   70  10.32 +/- 2.70   2.212% *  0.4741% (0.80 10.00   0.02   0.02) =   0.052%
        T HG    LEU  115 - QG2   VAL   70  11.36 +/- 2.92   1.629% *  0.3074% (0.52 10.00   0.02   0.02) =   0.025%
          QG    LYS+  66 - QG2   VAL   70   7.56 +/- 1.44   7.117% *  0.0213% (0.36  1.00   0.02   0.02) =   0.008%
          QB    ALA  120 - QG2   VAL   70  10.89 +/- 2.48   1.390% *  0.0307% (0.52  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - QG2   VAL   70   8.09 +/- 1.07   2.242% *  0.0083% (0.14  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   VAL   70  13.78 +/- 3.73   0.349% *  0.0363% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.623, support = 4.08, residual support = 50.7:
        T QD    PHE   72 - QG2   VAL   70   2.16 +/- 0.46  80.762% * 55.2900% (0.64 10.00   3.98  50.71) =  84.884%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.27 +/- 0.47  17.801% * 44.6681% (0.52 10.00   4.63  50.71) =  15.115%  kept
          QE    PHE   45 - QG2   VAL   70   9.32 +/- 1.29   1.437% *  0.0419% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.35, residual support = 50.7:
          QE    PHE   72 - QG2   VAL   70   2.63 +/- 0.53  96.747% * 99.6770% (0.80   5.35  50.71) =  99.995%  kept
          HD22  ASN   28 - QG2   VAL   70  11.98 +/- 2.04   2.553% *  0.1270% (0.27   0.02   0.02) =   0.003%
          HN    ALA   47 - QG2   VAL   70  14.62 +/- 1.79   0.700% *  0.1959% (0.42   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.35, residual support = 34.9:
          HN    LEU   71 - QG2   VAL   70   3.18 +/- 0.59  78.934% * 99.3768% (0.76   6.36  34.90) =  99.975%  kept
          HN    GLU- 114 - QG2   VAL   70  14.40 +/- 2.86   1.810% *  0.3127% (0.76   0.02   0.02) =   0.007%
          HN    PHE   60 - QG2   VAL   70   9.57 +/- 2.03  12.618% *  0.0447% (0.11   0.02   0.02) =   0.007%
          HN    GLN  116 - QG2   VAL   70  12.49 +/- 2.74   3.021% *  0.1739% (0.42   0.02   0.02) =   0.007%
          HN    THR  118 - QG2   VAL   70  11.20 +/- 3.01   3.617% *  0.0919% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.30 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.694, support = 2.96, residual support = 50.7:
        T HZ    PHE   72 - QG1   VAL   70   5.07 +/- 0.82  30.802% * 82.5676% (0.65 10.00   2.77  50.71) =  69.036%  kept
          QD    PHE   72 - QG1   VAL   70   3.78 +/- 0.73  65.711% * 17.3549% (0.80  1.00   3.40  50.71) =  30.956%  kept
          QE    PHE   45 - QG1   VAL   70  10.85 +/- 1.28   3.488% *  0.0774% (0.61  1.00   0.02   0.02) =   0.007%
    Distance limit 3.92 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 = 0.89, support = 0.02, residual support = 0.599:
          HA    VAL   41 - HB2   LEU   71   7.10 +/- 2.61  64.717% * 38.1801% (0.92   0.02   0.81) =  73.468%  kept
          HA    HIS  122 - HB2   LEU   71  14.68 +/- 4.51  16.335% * 39.9153% (0.97   0.02   0.02) =  19.387%  kept
          HA    PHE   45 - HB2   LEU   71  15.90 +/- 2.07  13.061% * 15.5229% (0.38   0.02   0.02) =   6.028%  kept
          HA    MET   92 - HB2   LEU   71  22.61 +/- 2.74   5.887% *  6.3817% (0.15   0.02   0.02) =   1.117%  kept
    Distance limit 3.73 A violated in 18 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.33, residual support = 139.4:
      O   HN    LEU   71 - HB2   LEU   71   2.75 +/- 0.50  87.629% * 99.8011% (0.95  10.0   6.33 139.41) =  99.995%  kept
          HN    THR  118 - HB2   LEU   71  16.82 +/- 4.49   5.662% *  0.0293% (0.28   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HB2   LEU   71  18.54 +/- 4.02   1.946% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB2   LEU   71  20.90 +/- 4.08   0.766% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB2   LEU   71  14.82 +/- 3.14   3.998% *  0.0143% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.26, residual support = 139.4:
      O   HN    LEU   71 - HB3   LEU   71   3.44 +/- 0.39  93.179% * 99.8011% (0.95  10.0   6.26 139.41) =  99.997%  kept
          HN    THR  118 - HB3   LEU   71  17.32 +/- 4.54   2.491% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB3   LEU   71  18.91 +/- 4.06   1.179% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB3   LEU   71  21.30 +/- 4.08   0.626% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   71  14.80 +/- 3.17   2.526% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.91, residual support = 139.4:
      O   HB2   LEU   71 - HG    LEU   71   2.60 +/- 0.25  61.258% * 99.3720% (0.97  10.0   4.91 139.41) =  99.983%  kept
          QB    LYS+  65 - HG    LEU   71  11.33 +/- 2.58   2.521% *  0.1009% (0.98   1.0   0.02   0.02) =   0.004%
          QB    LYS+  65 - HG13  ILE   19  11.28 +/- 3.87  11.388% *  0.0145% (0.14   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HG    LEU   71  10.90 +/- 5.27   2.729% *  0.0501% (0.49   1.0   0.02   0.02) =   0.002%
          HB    VAL   41 - HG    LEU   71   9.34 +/- 2.36   2.518% *  0.0501% (0.49   1.0   0.02   0.81) =   0.002%
          HB2   LEU   71 - HG13  ILE   19   8.02 +/- 4.61   7.146% *  0.0142% (0.14   1.0   0.02   1.17) =   0.002%
          QB    LYS+  66 - HG    LEU   71  11.61 +/- 1.59   1.222% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  15.96 +/- 4.17   0.471% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.99 +/- 1.29   5.448% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG    LEU   71  15.19 +/- 3.62   0.556% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.32 +/- 3.05   0.196% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  10.62 +/- 2.97   1.513% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  18.11 +/- 4.50   0.659% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.72 +/- 2.83   0.867% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.17 +/- 2.92   0.211% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.46 +/- 4.37   0.155% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.50 +/- 2.59   0.155% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  19.55 +/- 4.83   0.660% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.37 +/- 2.29   0.233% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  25.66 +/- 4.18   0.094% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 6.74, residual support = 139.4:
          HN    LEU   71 - QD2   LEU   71   3.23 +/- 1.03  93.712% * 99.7028% (0.87   6.74 139.41) =  99.994%  kept
          HN    THR   26 - QD2   LEU   71  13.24 +/- 2.21   2.746% *  0.0850% (0.25   0.02   0.02) =   0.002%
          HN    GLU- 114 - QD2   LEU   71  17.57 +/- 4.06   1.185% *  0.1660% (0.49   0.02   0.02) =   0.002%
          HN    GLN  116 - QD2   LEU   71  15.54 +/- 4.07   2.356% *  0.0462% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.46, residual support = 19.8:
          HN    PHE   72 - QD2   LEU   71   3.90 +/- 0.28  91.273% * 99.5804% (0.73   5.46  19.76) =  99.960%  kept
          HN    LEU  104 - QD2   LEU   71  12.87 +/- 3.18   8.727% *  0.4196% (0.84   0.02   0.02) =   0.040%
    Distance limit 3.39 A violated in 0 structures by 0.52 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 5.42, residual support = 44.3:
      O   HN    LEU   73 - HA    PHE   72   2.62 +/- 0.17  58.905% * 97.9477% (0.61  10.0   5.46  44.61) =  99.294%  kept
          HN    ILE   19 - HA    PHE   72   6.26 +/- 5.26  22.659% *  1.2247% (0.13   1.0   1.14   1.60) =   0.478%  kept
          HN    VAL   42 - HA    PHE   72   5.73 +/- 2.75  18.129% *  0.7296% (0.61   1.0   0.15   0.39) =   0.228%  kept
          HN    LYS+ 106 - HA    PHE   72  16.90 +/- 2.74   0.307% *  0.0979% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.78 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 = 5.02, residual support = 90.4:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  98.765% * 99.9786% (0.71  10.0   5.02  90.40) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  14.01 +/- 2.68   1.235% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.444, support = 2.01, residual support = 30.0:
          HG    LEU   73 - HA    PHE   72   4.79 +/- 0.87  29.573% * 47.4292% (0.37   2.65  44.61) =  64.791%  kept
          HG12  ILE   19 - HA    PHE   72   6.18 +/- 4.56  32.308% * 13.2672% (0.74   0.37   1.60) =  19.800%  kept
          HB3   LYS+  74 - HA    PHE   72   7.79 +/- 1.31  10.873% * 25.3880% (0.31   1.68   1.75) =  12.751%  kept
          HB3   LEU   67 - HA    PHE   72   8.67 +/- 1.33   4.631% * 10.0421% (0.66   0.31  25.14) =   2.148%  kept
          QB    ALA   61 - HA    PHE   72   9.79 +/- 2.17   9.768% *  0.7095% (0.74   0.02   0.02) =   0.320%  kept
          QG    LYS+  66 - HA    PHE   72  11.81 +/- 1.41   1.963% *  0.5050% (0.52   0.02   0.25) =   0.046%
          QB    LEU   98 - HA    PHE   72   9.93 +/- 2.72   6.502% *  0.1455% (0.15   0.02   0.02) =   0.044%
          HG    LEU   80 - HA    PHE   72  17.18 +/- 4.20   0.849% *  0.7335% (0.76   0.02   0.02) =   0.029%
          QB    ALA  110 - HA    PHE   72  17.45 +/- 2.78   0.807% *  0.7287% (0.76   0.02   0.02) =   0.027%
          HD3   LYS+ 121 - HA    PHE   72  17.14 +/- 4.99   1.433% *  0.3296% (0.34   0.02   0.02) =   0.022%
          HB2   LEU   80 - HA    PHE   72  16.75 +/- 2.95   0.697% *  0.4459% (0.46   0.02   0.02) =   0.014%
          HG2   LYS+ 102 - HA    PHE   72  17.67 +/- 3.33   0.597% *  0.2759% (0.29   0.02   0.02) =   0.008%
    Distance limit 3.57 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.57, residual support = 44.5:
          QD2   LEU   73 - HB2   PHE   72   3.44 +/- 0.56  49.229% * 98.6728% (0.82   5.58  44.61) =  99.711%  kept
          QG1   VAL   43 - HB2   PHE   72   6.54 +/- 2.93  23.109% *  0.3712% (0.17   0.10   0.02) =   0.176%  kept
          HG    LEU   31 - HB2   PHE   72   9.16 +/- 2.95   7.996% *  0.3233% (0.75   0.02   0.02) =   0.053%
          QG1   VAL   41 - HB2   PHE   72   6.45 +/- 2.35  16.548% *  0.1230% (0.28   0.02   0.02) =   0.042%
          QD1   ILE   56 - HB2   PHE   72  12.66 +/- 2.62   2.111% *  0.3479% (0.81   0.02   0.02) =   0.015%
          HG3   LYS+ 121 - HB2   PHE   72  16.70 +/- 4.25   1.006% *  0.1616% (0.37   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.28, residual support = 47.1:
        T QB    ALA   64 - HB2   PHE   72   4.37 +/- 1.15  96.033% * 99.9825% (0.84 10.00   3.28  47.11) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  14.86 +/- 1.44   3.967% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 5 structures by 0.87 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 6.0, residual support = 43.6:
          QD2   LEU   73 - HB3   PHE   72   3.99 +/- 0.74  31.759% * 95.0394% (0.72   6.13  44.61) =  97.691%  kept
          QG2   VAL   18 - HB3   PHE   72   7.97 +/- 3.61  14.262% *  2.8276% (0.33   0.41   1.56) =   1.305%  kept
          QG1   VAL   43 - HB3   PHE   72   7.00 +/- 2.67  17.212% *  1.1713% (0.53   0.10   0.02) =   0.653%  kept
          QG1   VAL   41 - HB3   PHE   72   6.18 +/- 2.58  22.725% *  0.2972% (0.69   0.02   0.02) =   0.219%  kept
          HG    LEU   31 - HB3   PHE   72   9.53 +/- 2.76   9.366% *  0.3511% (0.82   0.02   0.02) =   0.106%  kept
          QD1   ILE   56 - HB3   PHE   72  12.73 +/- 3.03   3.073% *  0.2101% (0.49   0.02   0.02) =   0.021%
          QG2   THR   46 - HB3   PHE   72  11.43 +/- 2.00   1.602% *  0.1032% (0.24   0.02   0.02) =   0.005%
    Distance limit 3.64 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.71, residual support = 47.1:
        T QB    ALA   64 - HB3   PHE   72   4.37 +/- 1.06  87.744% * 99.9693% (0.63 10.00   3.71  47.11) =  99.996%  kept
          QD1   LEU  115 - HB3   PHE   72  11.60 +/- 3.33  12.256% *  0.0307% (0.19  1.00   0.02   0.02) =   0.004%
    Distance limit 3.70 A violated in 6 structures by 0.84 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.542, support = 1.12, residual support = 11.5:
        T HA    VAL   18 - HB2   PHE   72   7.49 +/- 4.98  39.860% * 73.9429% (0.47 10.00   0.94   1.56) =  79.627%  kept
          HA    VAL   70 - HB2   PHE   72   6.52 +/- 0.78  29.986% * 24.9748% (0.82  1.00   1.83  50.71) =  20.232%  kept
          HA    GLN  116 - HB2   PHE   72  15.52 +/- 3.73   7.691% *  0.2722% (0.82  1.00   0.02   0.02) =   0.057%
          HB2   SER   37 - HB2   PHE   72  11.86 +/- 1.83   5.502% *  0.1684% (0.51  1.00   0.02   0.02) =   0.025%
          HA    LYS+  33 - HB2   PHE   72  13.31 +/- 2.02   3.687% *  0.2122% (0.64  1.00   0.02   0.02) =   0.021%
          HA    GLU-  29 - HB2   PHE   72  13.20 +/- 1.89   3.834% *  0.1684% (0.51  1.00   0.02   0.02) =   0.017%
          HA1   GLY   16 - HB2   PHE   72  11.93 +/- 4.61   6.809% *  0.0772% (0.23  1.00   0.02   0.02) =   0.014%
          HB2   SER   82 - HB2   PHE   72  20.71 +/- 3.49   1.183% *  0.1352% (0.41  1.00   0.02   0.02) =   0.004%
          HA    SER   48 - HB2   PHE   72  17.63 +/- 1.94   1.450% *  0.0486% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 8 structures by 1.27 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.471, support = 1.61, residual support = 42.9:
          HA    VAL   70 - HB3   PHE   72   5.51 +/- 0.66  36.454% * 74.8897% (0.53  1.00   1.72  50.71) =  84.134%  kept
          HA    VAL   18 - HB3   PHE   72   7.38 +/- 4.99  32.510% * 14.3009% (0.15  1.00   1.14   1.56) =  14.328%  kept
        T HA    LYS+  33 - HB3   PHE   72  13.11 +/- 2.09   3.426% *  4.4403% (0.27 10.00   0.02   0.02) =   0.469%  kept
        T HA    GLU-  29 - HB3   PHE   72  13.50 +/- 1.76   3.446% *  2.8470% (0.17 10.00   0.02   0.02) =   0.302%  kept
          HA    GLN  116 - HB3   PHE   72  15.45 +/- 3.88  10.382% *  0.8726% (0.53  1.00   0.02   0.02) =   0.279%  kept
          HB2   SER   37 - HB3   PHE   72  11.29 +/- 2.21   5.805% *  1.4101% (0.85  1.00   0.02   0.02) =   0.252%  kept
          HA1   GLY   16 - HB3   PHE   72  11.12 +/- 4.94   7.139% *  1.0447% (0.63  1.00   0.02   0.02) =   0.230%  kept
          HB2   SER   82 - HB3   PHE   72  21.53 +/- 3.27   0.837% *  0.1947% (0.12  1.00   0.02   0.02) =   0.005%
    Distance limit 3.95 A violated in 3 structures by 0.90 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.88, residual support = 90.4:
      O T QD    PHE   72 - HB3   PHE   72   2.46 +/- 0.11  91.319% * 94.5453% (0.87  10.0 10.00   4.89  90.40) =  99.616%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   6.926% *  4.5800% (0.27   1.0  1.00   3.13  90.40) =   0.366%  kept
        T QE    PHE   45 - HB3   PHE   72  10.33 +/- 1.99   1.755% *  0.8747% (0.80   1.0 10.00   0.02   0.02) =   0.018%
    Distance limit 3.54 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 = 4.59, residual support = 90.4:
      O T QD    PHE   72 - HB2   PHE   72   2.39 +/- 0.11  91.622% * 95.5151% (0.83  10.0 10.00   4.59  90.40) =  99.680%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.353% *  4.3966% (0.26   1.0  1.00   2.98  90.40) =   0.318%  kept
          QE    PHE   45 - HB2   PHE   72   9.76 +/- 2.07   2.025% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.64 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 = 90.4:
      O   HN    PHE   72 - HB2   PHE   72   3.57 +/- 0.35  97.387% * 99.9402% (0.79  10.0   4.95  90.40) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  13.47 +/- 2.58   2.613% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.69 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.769, support = 0.02, residual support = 1.69:
          HG3   GLN   30 - HA    LEU   73   8.30 +/- 2.69  20.412% * 13.3017% (0.99   0.02   3.13) =  30.184%  kept
          HB2   GLN   30 - HA    LEU   73   8.13 +/- 2.36  19.596% * 10.7462% (0.80   0.02   3.13) =  23.410%  kept
          HB2   GLN   17 - HA    LEU   73  11.20 +/- 5.25  11.827% *  6.5324% (0.49   0.02   0.02) =   8.589%  kept
          HB3   PRO   68 - HA    LEU   73  14.15 +/- 1.94   6.095% * 11.6413% (0.87   0.02   0.02) =   7.888%  kept
          HB    ILE  119 - HA    LEU   73  16.97 +/- 2.93   4.595% * 10.7462% (0.80   0.02   0.02) =   5.489%  kept
          HB3   GLU- 100 - HA    LEU   73  18.10 +/- 1.95   3.813% * 11.6413% (0.87   0.02   0.02) =   4.935%  kept
          HB2   ARG+  54 - HA    LEU   73  18.29 +/- 4.57   6.650% *  6.5324% (0.49   0.02   0.02) =   4.829%  kept
          QB    GLU-  15 - HA    LEU   73  12.66 +/- 4.00   5.974% *  6.5324% (0.49   0.02   0.02) =   4.338%  kept
          HB2   PRO   93 - HA    LEU   73  13.87 +/- 3.14  11.623% *  2.9879% (0.22   0.02   0.02) =   3.861%  kept
          HB    VAL  108 - HA    LEU   73  18.38 +/- 2.42   3.475% *  7.5980% (0.57   0.02   0.02) =   2.935%  kept
          HB2   LYS+ 111 - HA    LEU   73  20.87 +/- 3.19   2.101% *  7.5980% (0.57   0.02   0.02) =   1.774%  kept
          HB3   GLU-  25 - HA    LEU   73  14.16 +/- 2.34   3.838% *  4.1422% (0.31   0.02   0.02) =   1.767%  kept
    Distance limit 3.84 A violated in 15 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.71, residual support = 42.0:
      O   HN    LYS+  74 - HA    LEU   73   2.47 +/- 0.18  96.345% * 99.6525% (0.69  10.0   5.71  42.01) =  99.998%  kept
          HN    THR   46 - HA    LEU   73  10.94 +/- 1.89   2.583% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  20.16 +/- 3.79   0.364% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HA    LEU   73  19.74 +/- 3.62   0.303% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.20 +/- 2.55   0.404% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 6.4, residual support = 170.1:
      O   HN    LEU   73 - HA    LEU   73   2.86 +/- 0.05  53.493% * 96.6407% (0.80  10.0   6.48 173.04) =  98.237%  kept
          HN    ILE   19 - HA    LEU   73   6.13 +/- 6.44  41.204% *  2.1136% (0.18   1.0   2.00   4.64) =   1.655%  kept
          HN    VAL   42 - HA    LEU   73   7.45 +/- 1.86   4.934% *  1.1490% (0.80   1.0   0.24   0.19) =   0.108%  kept
          HN    LYS+ 106 - HA    LEU   73  17.83 +/- 2.65   0.370% *  0.0966% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 6.23, residual support = 172.4:
      O   HN    LEU   73 - HB2   LEU   73   3.34 +/- 0.36  89.079% * 96.6938% (0.38  10.0   6.25 173.04) =  99.645%  kept
          HN    VAL   42 - HB2   LEU   73   8.60 +/- 2.01   9.984% *  3.0491% (0.38   1.0   0.63   0.19) =   0.352%  kept
          HN    LYS+ 106 - HB2   LEU   73  18.16 +/- 3.19   0.937% *  0.2571% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 4.07 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 = 0.821, support = 1.76, residual support = 5.44:
          HA    VAL   43 - HB2   LEU   73   7.25 +/- 2.60  48.980% * 87.7571% (0.80  1.00   1.97   6.06) =  89.650%  kept
        T HA    HIS   22 - HB2   LEU   73   8.56 +/- 3.12  43.798% * 11.1500% (1.00 10.00   0.02   0.02) =  10.185%  kept
          HA    ASN   69 - HB2   LEU   73  14.26 +/- 0.66   7.222% *  1.0929% (0.98  1.00   0.02   0.02) =   0.165%  kept
    Distance limit 4.05 A violated in 13 structures by 1.96 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.48, residual support = 42.0:
          HN    LYS+  74 - HB3   LEU   73   3.54 +/- 0.82  94.409% * 97.5173% (0.25   5.49  42.01) =  99.953%  kept
          HN    LYS+ 112 - HB3   LEU   73  19.43 +/- 3.99   1.715% *  1.0895% (0.76   0.02   0.02) =   0.020%
          HN    ASP-  78 - HB3   LEU   73  12.28 +/- 0.83   3.034% *  0.5861% (0.41   0.02   0.02) =   0.019%
          HN    MET   11 - HB3   LEU   73  21.33 +/- 4.01   0.842% *  0.8071% (0.57   0.02   0.02) =   0.007%
    Distance limit 4.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.722, support = 5.53, residual support = 164.3:
          HN    LEU   73 - HG    LEU   73   2.93 +/- 0.74  33.431% * 67.4012% (0.80   5.69 173.04) =  87.281%  kept
          HN    ILE   19 - HG12  ILE   19   2.73 +/- 0.69  37.507% *  5.2949% (0.06   6.26 171.51) =   7.693%  kept
          HN    VAL   42 - HG    LEU   73   7.98 +/- 2.42   3.369% * 12.1176% (0.80   1.02   0.19) =   1.581%  kept
          HN    VAL   42 - HG    LEU   40   5.42 +/- 1.13   7.359% *  5.2075% (0.15   2.36   1.74) =   1.484%  kept
          HN    ILE   19 - HG    LEU   73   7.78 +/- 4.78   4.667% *  6.2066% (0.18   2.39   4.64) =   1.122%  kept
          HN    LEU   73 - HG12  ILE   19   7.03 +/- 4.37   6.743% *  3.1685% (0.26   0.82   4.64) =   0.828%  kept
          HN    VAL   42 - HG12  ILE   19   9.57 +/- 3.33   1.515% *  0.0774% (0.26   0.02   0.02) =   0.005%
          HN    LEU   73 - HG    LEU   40   9.83 +/- 2.39   1.147% *  0.0442% (0.15   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   73  17.74 +/- 3.63   0.194% *  0.2370% (0.80   0.02   0.02) =   0.002%
          HN    LEU   73 - HG    LEU   80  15.25 +/- 4.45   0.555% *  0.0288% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  13.35 +/- 1.84   0.335% *  0.0442% (0.15   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  16.51 +/- 4.62   0.274% *  0.0288% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.43 +/- 2.08   0.085% *  0.0774% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.75 +/- 3.04   0.675% *  0.0097% (0.03   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  14.73 +/- 3.79   0.644% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.88 +/- 5.48   0.129% *  0.0288% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  13.28 +/- 2.54   0.495% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  12.65 +/- 1.86   0.433% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  18.90 +/- 8.26   0.291% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.22 +/- 2.75   0.153% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.123, support = 1.34, residual support = 1.26:
          HN    LEU   71 - HG    LEU   40   5.80 +/- 3.07  38.240% * 21.8847% (0.05   1.76   1.50) =  46.464%  kept
          HN    LEU   71 - HG12  ILE   19   8.13 +/- 3.82  24.166% * 26.0680% (0.09   1.19   1.17) =  34.976%  kept
          HN    LEU   71 - HG    LEU   73   9.49 +/- 0.99   5.991% * 45.1684% (0.28   0.68   1.05) =  15.023%  kept
          HN    THR   26 - HG    LEU   73   9.53 +/- 3.33  12.573% *  4.0177% (0.84   0.02   0.02) =   2.805%  kept
          HN    THR   26 - HG12  ILE   19  10.50 +/- 2.09   6.870% *  1.3121% (0.27   0.02   0.02) =   0.500%  kept
          HN    THR   26 - HG    LEU   80  16.39 +/- 8.51   6.233% *  0.4889% (0.10   0.02   0.02) =   0.169%  kept
          HN    THR   26 - HG    LEU   40  18.01 +/- 2.31   0.955% *  0.7490% (0.16   0.02   0.02) =   0.040%
          HN    LEU   71 - HG    LEU   80  20.32 +/- 3.74   0.973% *  0.1627% (0.03   0.02   0.02) =   0.009%
          HN    THR   26 - HG    LEU  115  22.58 +/- 4.80   1.294% *  0.1114% (0.02   0.02   0.02) =   0.008%
          HN    LEU   71 - HG    LEU  115  16.19 +/- 3.79   2.705% *  0.0371% (0.01   0.02   0.02) =   0.006%
    Distance limit 4.06 A violated in 0 structures by 0.60 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 = 8.04, residual support = 172.3:
          HN    LEU   73 - QD2   LEU   73   1.98 +/- 0.45  81.843% * 96.1575% (0.38   8.08 173.04) =  99.567%  kept
          HN    VAL   42 - QD2   LEU   73   6.00 +/- 2.13  11.567% *  2.8312% (0.38   0.24   0.19) =   0.414%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  12.95 +/- 7.35   5.761% *  0.2159% (0.34   0.02   0.02) =   0.016%
          HN    LYS+ 106 - QD2   LEU   73  14.66 +/- 2.42   0.295% *  0.6331% (1.00   0.02   0.02) =   0.002%
          HN    VAL   42 - HG3   LYS+ 121  14.00 +/- 4.04   0.368% *  0.0812% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  17.89 +/- 3.96   0.166% *  0.0812% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.95, residual support = 42.0:
          HN    LYS+  74 - QD2   LEU   73   4.02 +/- 0.38  86.351% * 96.8455% (0.25   5.96  42.01) =  99.904%  kept
          HN    LYS+ 112 - QD2   LEU   73  16.85 +/- 3.67   3.130% *  0.9960% (0.76   0.02   0.02) =   0.037%
          HN    ASP-  78 - QD2   LEU   73  11.78 +/- 1.36   3.836% *  0.5358% (0.41   0.02   0.02) =   0.025%
          HN    MET   11 - QD2   LEU   73  16.85 +/- 3.84   2.580% *  0.7379% (0.57   0.02   0.02) =   0.023%
          HN    LYS+ 112 - HG3   LYS+ 121  16.39 +/- 1.18   1.469% *  0.3396% (0.26   0.02   0.02) =   0.006%
          HN    MET   11 - HG3   LYS+ 121  30.27 +/- 6.14   0.945% *  0.2516% (0.19   0.02   0.02) =   0.003%
          HN    LYS+  74 - HG3   LYS+ 121  19.01 +/- 3.17   1.177% *  0.1108% (0.09   0.02   0.02) =   0.002%
          HN    ASP-  78 - HG3   LYS+ 121  23.72 +/- 2.58   0.513% *  0.1827% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.8, residual support = 187.0:
      O   HN    LYS+  74 - HB2   LYS+  74   2.70 +/- 0.36  97.150% * 98.7271% (0.20  10.0   5.80 187.00) =  99.982%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.44 +/- 0.91   2.047% *  0.7462% (0.33   1.0   0.09   0.02) =   0.016%
          HN    LYS+ 112 - HB2   LYS+  74  19.06 +/- 3.34   0.429% *  0.3026% (0.61   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   LYS+  74  21.50 +/- 3.92   0.374% *  0.2242% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.46, residual support = 32.0:
          HN    VAL   75 - HB3   LYS+  74   4.26 +/- 0.35  89.721% * 95.3721% (0.41   4.47  32.09) =  99.649%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.11 +/- 0.98   7.102% *  4.1260% (0.87   0.09   0.02) =   0.341%  kept
          HN    LYS+ 112 - HB3   LYS+  74  18.85 +/- 3.65   1.828% *  0.3202% (0.31   0.02   0.02) =   0.007%
          HN    MET   11 - HB3   LYS+  74  21.49 +/- 3.87   1.350% *  0.1817% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 5.88, residual support = 32.1:
          HN    VAL   75 - HG2   LYS+  74   3.21 +/- 0.67  93.400% * 98.1275% (0.84   5.88  32.09) =  99.901%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.83 +/- 1.08   5.031% *  1.7950% (0.98   0.09   0.02) =   0.098%
          HN    ASP-  78 - HG3   LYS+ 111  20.18 +/- 4.44   0.858% *  0.0418% (0.10   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  18.85 +/- 2.63   0.710% *  0.0357% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.742, residual support = 0.741:
          QG1   VAL   75 - HA    THR   77   3.92 +/- 0.37  90.884% * 97.9596% (0.84   0.74   0.74) =  99.792%  kept
          QD1   LEU  115 - HA    THR   77  13.13 +/- 2.42   9.116% *  2.0404% (0.65   0.02   0.02) =   0.208%  kept
    Distance limit 3.60 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.6:
      O   HN    ASP-  78 - HB3   ASP-  78   2.61 +/- 0.45  97.986% * 99.9053% (0.95  10.0   3.95  39.62) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.02 +/- 0.72   2.014% *  0.0947% (0.90   1.0   0.02   0.35) =   0.002%
    Distance limit 3.63 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 = 5.35, residual support = 39.6:
      O   HN    ASP-  78 - HB2   ASP-  78   2.75 +/- 0.51  97.703% * 99.9053% (0.95  10.0   5.35  39.62) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78   9.99 +/- 0.85   2.297% *  0.0947% (0.90   1.0   0.02   0.35) =   0.002%
    Distance limit 3.58 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 = 4.39, residual support = 56.5:
      O T HB3   GLU-  79 - HA    GLU-  79   2.59 +/- 0.15  98.012% * 99.1581% (1.00  10.0 10.00   4.39  56.50) =  99.995%  kept
        T HB2   GLN   90 - HA    GLU-  79  14.81 +/- 2.31   0.655% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLU-  36 - HA    GLU-  79  23.19 +/- 4.07   0.408% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  20.71 +/- 5.29   0.353% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  20.17 +/- 5.83   0.401% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  25.44 +/- 3.74   0.171% *  0.0221% (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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.64, residual support = 56.5:
      O   QG    GLU-  79 - HB3   GLU-  79   2.45 +/- 0.11  97.389% * 99.5936% (0.98  10.0   3.64  56.50) =  99.999%  kept
          QG    GLN   32 - HB3   GLU-  79  19.74 +/- 4.40   0.519% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   GLN   90  14.57 +/- 1.97   0.557% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  23.30 +/- 3.60   0.223% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  23.58 +/- 3.84   0.183% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  19.70 +/- 2.13   0.220% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.21 +/- 1.64   0.224% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  22.69 +/- 2.19   0.139% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  27.41 +/- 4.46   0.098% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  22.05 +/- 1.43   0.141% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.24 +/- 1.14   0.248% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  30.16 +/- 3.09   0.060% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 0.896, support = 3.14, residual support = 10.3:
          HB2   ASP-  76 - HB3   GLU-  79   3.41 +/- 1.01  63.189% * 34.6165% (1.00  1.00   1.96   2.75) =  56.817%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.29 +/- 0.81  26.101% * 63.6132% (0.76  1.00   4.70  20.30) =  43.127%  kept
        T HB2   ASN   28 - HB3   GLU-  79  16.87 +/- 5.20   1.984% *  0.6208% (0.18 10.00   0.02   0.02) =   0.032%
          QE    LYS+  66 - HB3   GLU-  79  18.13 +/- 4.91   3.264% *  0.0702% (0.20  1.00   0.02   0.02) =   0.006%
          HB2   ASP-  78 - HB2   GLN   90  12.53 +/- 2.58   2.063% *  0.1007% (0.28  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  76 - HB2   GLN   90  14.78 +/- 2.07   1.195% *  0.1314% (0.37  1.00   0.02   0.02) =   0.004%
          HB2   ASN   69 - HB3   GLU-  79  22.26 +/- 2.66   0.436% *  0.3421% (0.97  1.00   0.02   0.02) =   0.004%
        T HB2   ASN   28 - HB2   GLN   90  25.42 +/- 5.01   0.311% *  0.2307% (0.07 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   GLU-  79  19.03 +/- 4.02   0.717% *  0.0884% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - HB2   GLN   90  29.73 +/- 3.34   0.177% *  0.1271% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  23.98 +/- 4.71   0.385% *  0.0261% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  27.71 +/- 3.51   0.178% *  0.0328% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.38, residual support = 56.5:
      O T HA    GLU-  79 - HB3   GLU-  79   2.59 +/- 0.15  83.643% * 97.6517% (0.80  10.0 10.00   4.39  56.50) =  99.940%  kept
          HB    THR   77 - HB3   GLU-  79   7.70 +/- 0.68   3.419% *  1.2584% (0.31   1.0  1.00   0.67   0.02) =   0.053%
        T HA    GLU-  79 - HB2   GLN   90  14.81 +/- 2.31   0.559% *  0.3628% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HB3   GLU-  79  16.96 +/- 3.85   0.717% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLN   90   8.08 +/- 1.79   3.774% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLN   90   9.24 +/- 2.15   3.325% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  18.34 +/- 3.78   0.336% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  14.89 +/- 3.67   0.780% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.21 +/- 1.31   0.803% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.52 +/- 1.30   0.830% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.48 +/- 2.19   0.173% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.03 +/- 3.36   0.276% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.04 +/- 3.39   0.281% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  25.28 +/- 3.36   0.180% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.30 +/- 1.59   0.474% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.12 +/- 2.52   0.137% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.20 +/- 3.96   0.092% *  0.0272% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.78 +/- 1.84   0.059% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.67 +/- 1.74   0.094% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  37.50 +/- 5.34   0.049% *  0.0101% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 94.1:
      O T HA    GLN   90 - HB2   GLN   90   2.53 +/- 0.21  83.164% * 87.0371% (0.27  10.0 10.00   3.96  95.06) =  98.475%  kept
          HA    ALA   91 - HB2   GLN   90   5.10 +/- 0.39  11.604% *  9.4518% (0.18   1.0  1.00   3.24  31.91) =   1.492%  kept
        T HA    GLN   90 - HB3   GLU-  79  13.22 +/- 2.10   0.800% *  2.3425% (0.73   1.0 10.00   0.02   0.02) =   0.025%
          HA    ALA   91 - HB3   GLU-  79  14.13 +/- 2.43   0.934% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB3   GLU-  79  14.31 +/- 5.13   1.571% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - HB3   GLU-  79  21.39 +/- 4.22   0.401% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   GLN   90  15.99 +/- 3.45   0.501% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB3   GLU-  79  21.66 +/- 3.78   0.177% *  0.2695% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  20.88 +/- 1.88   0.183% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   GLN   90  18.35 +/- 1.58   0.254% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.59 +/- 3.37   0.253% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  23.42 +/- 4.48   0.160% *  0.0333% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 2.97, residual support = 10.1:
          HB2   ASP-  76 - HB2   GLU-  79   3.34 +/- 0.97  68.305% * 33.5168% (1.00   1.79   2.75) =  58.096%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.49 +/- 0.63  25.053% * 65.8877% (0.76   4.60  20.30) =  41.889%  kept
          QE    LYS+  66 - HB2   GLU-  79  18.11 +/- 4.68   4.234% *  0.0742% (0.20   0.02   0.02) =   0.008%
          HB2   ASN   69 - HB2   GLU-  79  22.17 +/- 2.40   0.462% *  0.3620% (0.97   0.02   0.02) =   0.004%
          HB2   ASN   28 - HB2   GLU-  79  16.93 +/- 5.48   1.411% *  0.0657% (0.18   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB2   GLU-  79  19.13 +/- 4.43   0.535% *  0.0935% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.93 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 = 5.7, residual support = 48.8:
          HN    LEU   80 - HB2   GLU-  79   2.78 +/- 0.40  95.172% * 98.5988% (0.61   5.70  48.76) =  99.984%  kept
          HN    SER   85 - HB2   GLU-  79  10.08 +/- 1.13   2.401% *  0.2777% (0.49   0.02   0.02) =   0.007%
          HN    GLN   32 - HB2   GLU-  79  18.99 +/- 4.99   0.792% *  0.4949% (0.87   0.02   0.02) =   0.004%
          HN    ALA   34 - HB2   GLU-  79  19.75 +/- 4.46   0.563% *  0.4143% (0.73   0.02   0.02) =   0.002%
          HN    CYS   53 - HB2   GLU-  79  16.52 +/- 3.72   1.072% *  0.2141% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.86, residual support = 48.7:
          HN    LEU   80 - HB3   GLU-  79   3.50 +/- 0.60  81.248% * 98.0196% (0.61   5.86  48.76) =  99.961%  kept
          HN    SER   85 - HB3   GLU-  79  10.83 +/- 1.20   3.111% *  0.2683% (0.49   0.02   0.02) =   0.010%
          HN    SER   85 - HB2   GLN   90   9.42 +/- 1.94   6.942% *  0.0997% (0.18   0.02   0.02) =   0.009%
          HN    GLN   32 - HB3   GLU-  79  18.99 +/- 4.55   0.877% *  0.4781% (0.87   0.02   0.02) =   0.005%
          HN    CYS   53 - HB3   GLU-  79  16.75 +/- 3.99   1.639% *  0.2068% (0.38   0.02   0.02) =   0.004%
          HN    LEU   80 - HB2   GLN   90  13.07 +/- 1.96   2.217% *  0.1242% (0.23   0.02   0.02) =   0.003%
          HN    ALA   34 - HB3   GLU-  79  19.78 +/- 3.98   0.676% *  0.4002% (0.73   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLN   90  14.17 +/- 3.35   2.880% *  0.0769% (0.14   0.02   0.02) =   0.003%
          HN    GLN   32 - HB2   GLN   90  27.68 +/- 4.78   0.222% *  0.1776% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  28.61 +/- 3.91   0.187% *  0.1487% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 95.0:
      O   HN    GLN   90 - HB2   GLN   90   3.49 +/- 0.71  79.967% * 98.6230% (0.23  10.0   5.59  95.06) =  99.968%  kept
          HE1   HIS   22 - HB3   GLU-  79  15.12 +/- 8.11  12.962% *  0.0675% (0.15   1.0   0.02   0.02) =   0.011%
          HN    GLN   90 - HB3   GLU-  79  13.15 +/- 2.23   2.870% *  0.2654% (0.61   1.0   0.02   0.02) =   0.010%
          HN    GLY  109 - HB3   GLU-  79  19.35 +/- 2.77   0.885% *  0.3925% (0.90   1.0   0.02   0.02) =   0.004%
          HN    GLY  109 - HB2   GLN   90  13.83 +/- 2.31   1.843% *  0.1458% (0.33   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HB3   GLU-  79  20.91 +/- 3.95   0.666% *  0.3504% (0.80   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HB2   GLN   90  23.84 +/- 2.95   0.352% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  24.39 +/- 4.54   0.454% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.24, residual support = 48.7:
          HN    LEU   80 - QG    GLU-  79   3.76 +/- 0.46  85.448% * 98.4780% (0.61   5.24  48.76) =  99.936%  kept
          HN    GLN   32 - QG    GLU-  79  17.22 +/- 4.49   3.551% *  0.5376% (0.87   0.02   0.02) =   0.023%
          HN    SER   85 - QG    GLU-  79  10.09 +/- 0.86   5.001% *  0.3017% (0.49   0.02   0.02) =   0.018%
          HN    ALA   34 - QG    GLU-  79  17.95 +/- 4.09   2.646% *  0.4501% (0.73   0.02   0.02) =   0.014%
          HN    CYS   53 - QG    GLU-  79  16.06 +/- 3.46   3.354% *  0.2326% (0.38   0.02   0.02) =   0.009%
    Distance limit 3.74 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.6, residual support = 48.8:
      O   HN    LEU   80 - HA    GLU-  79   3.52 +/- 0.27  93.447% * 99.2120% (0.28  10.0   5.60  48.76) =  99.980%  kept
          HN    SER   85 - HA    GLU-  79  10.30 +/- 0.46   3.866% *  0.2980% (0.84   1.0   0.02   0.02) =   0.012%
          HN    GLN   32 - HA    GLU-  79  20.26 +/- 4.97   1.679% *  0.3560% (1.00   1.0   0.02   0.02) =   0.006%
          HN    ALA   34 - HA    GLU-  79  21.27 +/- 4.28   1.008% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.681, support = 4.51, residual support = 85.3:
      O   HB2   LEU   80 - QD2   LEU   80   2.42 +/- 0.32  39.739% * 71.2691% (0.87  10.0  1.00   4.28  85.32) =  64.553%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  55.476% * 28.0259% (0.34  10.0  1.00   4.93  85.32) =  35.437%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.82 +/- 3.51   1.201% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  74 - QD2   LEU   80  10.25 +/- 2.78   0.817% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD2   LEU   80  13.06 +/- 4.52   0.642% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   80  15.59 +/- 6.19   0.297% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  17.34 +/- 5.98   0.257% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  18.34 +/- 3.77   0.125% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  14.68 +/- 3.79   0.281% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  15.90 +/- 3.04   0.216% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.37 +/- 2.43   0.361% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.64 +/- 3.83   0.069% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  19.40 +/- 5.85   0.250% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.69 +/- 2.34   0.161% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.78 +/- 3.79   0.107% *  0.0144% (0.18   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 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.874, support = 5.76, residual support = 76.5:
          HA    LEU   80 - QD2   LEU   80   2.57 +/- 0.58  66.967% * 60.5554% (0.87   6.26  85.32) =  89.544%  kept
          HA    THR   23 - QD2   LEU   80  11.37 +/- 7.42  20.626% * 16.5014% (0.99   1.49   0.51) =   7.516%  kept
          HB    THR   23 - QD2   LEU   80  12.83 +/- 7.15   5.163% * 14.0345% (0.73   1.73   0.51) =   1.600%  kept
          HA    ASP-  78 - QD2   LEU   80   6.63 +/- 0.92   6.885% *  8.8088% (0.80   0.99   6.27) =   1.339%  kept
          HA    ASP- 105 - QD2   LEU   80  19.08 +/- 4.42   0.359% *  0.0999% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.82 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.619, support = 4.56, residual support = 24.4:
          HN    LYS+  81 - QD2   LEU   80   4.23 +/- 0.76  43.593% * 39.3698% (0.38   6.01  40.65) =  51.943%  kept
          HE3   TRP   27 - QD2   LEU   80  10.99 +/- 6.71  28.764% * 50.8018% (0.92   3.15   7.34) =  44.227%  kept
          HN    THR   23 - QD2   LEU   80  11.39 +/- 7.51  13.169% *  9.3216% (0.41   1.30   0.51) =   3.715%  kept
          QD    PHE   55 - QD2   LEU   80  17.52 +/- 3.99  11.361% *  0.3030% (0.87   0.02   0.02) =   0.104%  kept
          QE    PHE   95 - QD2   LEU   80  13.73 +/- 2.97   1.875% *  0.1566% (0.45   0.02   0.02) =   0.009%
          HN    LEU   67 - QD2   LEU   80  15.93 +/- 2.39   1.238% *  0.0473% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.66 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.08, residual support = 4.38:
          HN    VAL   24 - QD2   LEU   80  10.77 +/- 7.15  59.095% * 99.3153% (0.31   2.09   4.40) =  99.525%  kept
          HN    VAL   43 - QD2   LEU   80  12.25 +/- 4.00  40.905% *  0.6847% (0.22   0.02   0.02) =   0.475%  kept
    Distance limit 3.60 A violated in 12 structures by 5.32 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.285, support = 4.56, residual support = 35.6:
          HN    LYS+  81 - QD1   LEU   80   3.71 +/- 0.80  40.878% * 69.9336% (0.24   5.25  40.65) =  85.311%  kept
          HE3   TRP   27 - QD1   LEU   80  12.44 +/- 6.97  18.475% * 21.3844% (0.60   0.65   7.34) =  11.790%  kept
          HN    THR   23 - QD1   LEU   80  12.56 +/- 7.84  14.038% *  6.3646% (0.27   0.44   0.51) =   2.666%  kept
          HE3   TRP   27 - QD2   LEU   98   8.93 +/- 3.16   7.924% *  0.3758% (0.34   0.02   0.02) =   0.089%
          QD    PHE   55 - QD1   LEU   80  17.72 +/- 4.04   4.449% *  0.6161% (0.56   0.02   0.02) =   0.082%
          QE    PHE   95 - QD2   LEU   98  11.13 +/- 1.78   3.886% *  0.1825% (0.17   0.02   0.02) =   0.021%
          QE    PHE   95 - QD1   LEU   80  14.12 +/- 3.20   1.439% *  0.3184% (0.29   0.02   0.02) =   0.014%
          HN    LEU   67 - QD2   LEU   98  12.47 +/- 3.29   5.382% *  0.0551% (0.05   0.02   0.02) =   0.009%
          HN    THR   23 - QD2   LEU   98  13.91 +/- 3.26   1.647% *  0.1674% (0.15   0.02   0.02) =   0.008%
          QD    PHE   55 - QD2   LEU   98  17.64 +/- 1.94   0.417% *  0.3531% (0.32   0.02   0.02) =   0.004%
          HN    LYS+  81 - QD2   LEU   98  16.52 +/- 3.92   0.847% *  0.1528% (0.14   0.02   0.02) =   0.004%
          HN    LEU   67 - QD1   LEU   80  16.96 +/- 2.62   0.617% *  0.0961% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 111.5:
          HN    LYS+  81 - QG    LYS+  81   2.86 +/- 0.43  87.226% * 96.5586% (0.87   5.93 111.57) =  99.950%  kept
          HE3   TRP   27 - QG    LYS+  81  16.40 +/- 5.08   1.376% *  2.4348% (0.45   0.29   0.02) =   0.040%
          HE3   TRP   27 - HG2   LYS+  33   8.78 +/- 1.36   4.428% *  0.0806% (0.21   0.02   0.02) =   0.004%
          QD    PHE   60 - QG    LYS+  81  15.18 +/- 2.44   0.842% *  0.1975% (0.53   0.02   0.02) =   0.002%
          QD    PHE   55 - QG    LYS+  81  18.87 +/- 3.43   0.627% *  0.1409% (0.38   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+  33  16.49 +/- 2.21   0.787% *  0.0946% (0.25   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  23.97 +/- 6.08   0.302% *  0.1559% (0.42   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  14.21 +/- 2.25   0.921% *  0.0435% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.72 +/- 4.26   0.420% *  0.0717% (0.19   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.43 +/- 3.00   0.768% *  0.0370% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  20.16 +/- 2.42   0.357% *  0.0508% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.22 +/- 2.61   0.675% *  0.0243% (0.06   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.36 +/- 2.26   0.529% *  0.0310% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.25 +/- 3.24   0.191% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  19.14 +/- 3.52   0.551% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.582, support = 0.02, residual support = 0.02:
          HN    GLU-  79 - QG    LYS+  81   6.35 +/- 0.97  57.818% * 29.1271% (0.65   0.02   0.02) =  84.652%  kept
          HN    VAL   70 - HG2   LYS+  33  13.45 +/- 2.03   9.943% *  8.8625% (0.20   0.02   0.02) =   4.429%  kept
          HN    THR   94 - QG    LYS+  81  13.87 +/- 1.90   6.041% * 11.2272% (0.25   0.02   0.02) =   3.409%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.11 +/- 4.52   3.316% * 13.9455% (0.31   0.02   0.02) =   2.325%  kept
          HN    THR   94 - HG2   LYS+ 106  11.22 +/- 1.48  13.672% *  2.4703% (0.05   0.02   0.02) =   1.698%  kept
          HN    VAL   70 - QG    LYS+  81  22.11 +/- 1.89   1.645% * 18.5105% (0.41   0.02   0.02) =   1.530%  kept
          HN    GLU-  79 - HG2   LYS+ 106  19.68 +/- 2.81   2.414% *  6.4088% (0.14   0.02   0.02) =   0.778%  kept
          HN    VAL   70 - HG2   LYS+ 106  18.15 +/- 2.81   3.245% *  4.0728% (0.09   0.02   0.02) =   0.664%  kept
          HN    THR   94 - HG2   LYS+  33  21.49 +/- 2.17   1.905% *  5.3754% (0.12   0.02   0.02) =   0.515%  kept
    Distance limit 3.94 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 = 111.6:
      O   HN    LYS+  81 - QB    LYS+  81   2.15 +/- 0.15  87.771% * 99.1682% (0.38  10.0   5.76 111.57) =  99.994%  kept
          QD    PHE   55 - HB3   PRO   52   5.67 +/- 1.04   8.531% *  0.0263% (0.10   1.0   0.02   0.29) =   0.003%
          HE3   TRP   27 - QB    LYS+  81  16.40 +/- 4.85   0.453% *  0.2439% (0.92   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  15.70 +/- 6.21   0.680% *  0.1086% (0.41   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    LYS+  81  18.99 +/- 3.86   0.237% *  0.2292% (0.87   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  16.08 +/- 2.14   0.276% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52  10.54 +/- 2.75   1.425% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  20.76 +/- 2.50   0.123% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  22.98 +/- 2.99   0.085% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  20.31 +/- 4.67   0.193% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  23.49 +/- 4.67   0.123% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.24 +/- 1.99   0.102% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 111.6:
      O   HN    LYS+  81 - HA    LYS+  81   2.75 +/- 0.05  97.442% * 99.8291% (0.87  10.0   5.37 111.57) =  99.999%  kept
          HE3   TRP   27 - HA    LYS+  81  17.08 +/- 5.40   1.213% *  0.0516% (0.45   1.0   0.02   0.02) =   0.001%
          QD    PHE   60 - HA    LYS+  81  15.60 +/- 2.71   0.661% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.75 +/- 3.81   0.433% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  21.37 +/- 2.70   0.252% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.1, residual support = 35.8:
          HA    LEU   80 - QG    LYS+  81   4.72 +/- 0.65  40.518% * 83.6334% (0.38   4.63  40.65) =  87.967%  kept
          HA    ASP-  78 - QG    LYS+  81   4.92 +/- 1.79  38.710% * 11.4890% (0.98   0.24   0.02) =  11.545%  kept
          HA    THR   23 - QG    LYS+  81  15.20 +/- 6.93   5.783% *  2.7934% (0.76   0.08   0.02) =   0.419%  kept
          HB    THR   23 - QG    LYS+  81  16.57 +/- 6.85   3.583% *  0.2398% (0.25   0.02   0.02) =   0.022%
          HA    THR   23 - HG2   LYS+  33  14.03 +/- 1.24   1.326% *  0.3519% (0.37   0.02   0.02) =   0.012%
          HA    PHE   45 - QG    LYS+  81  11.47 +/- 1.82   2.365% *  0.1484% (0.15   0.02   0.02) =   0.009%
          HA    ASP-  78 - HG2   LYS+  33  23.86 +/- 4.39   0.499% *  0.4514% (0.47   0.02   0.02) =   0.006%
          HB    THR   23 - HG2   LYS+  33  13.53 +/- 1.61   1.640% *  0.1148% (0.12   0.02   0.02) =   0.005%
          HA    THR   23 - HG2   LYS+ 106  21.75 +/- 3.80   0.999% *  0.1617% (0.17   0.02   0.02) =   0.004%
          HA    LEU   80 - HG2   LYS+  33  22.40 +/- 6.78   0.641% *  0.1728% (0.18   0.02   0.02) =   0.003%
          HA    ASP-  78 - HG2   LYS+ 106  20.19 +/- 2.86   0.457% *  0.2074% (0.22   0.02   0.02) =   0.002%
          HA    PHE   45 - HG2   LYS+ 106  13.19 +/- 1.98   1.691% *  0.0327% (0.03   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  19.30 +/- 2.61   0.650% *  0.0710% (0.07   0.02   0.02) =   0.001%
          HA    LEU   80 - HG2   LYS+ 106  20.82 +/- 4.71   0.475% *  0.0794% (0.08   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  23.25 +/- 3.63   0.664% *  0.0528% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.08 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 = 3.68, residual support = 34.7:
      O   HN    SER   82 - HB3   SER   82   2.71 +/- 0.54  99.749% * 99.5254% (0.41  10.0   3.68  34.68) =  99.999%  kept
          HN    SER  117 - HB3   SER   82  28.60 +/- 3.09   0.128% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB3   SER   82  28.48 +/- 6.46   0.123% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 3.31, residual support = 14.6:
      O   HN    TRP   49 - HA    SER   48   3.52 +/- 0.07  31.283% * 84.6086% (0.40  10.0   3.25  14.36) =  82.964%  kept
          HN    VAL   83 - HB2   SER   82   3.16 +/- 0.51  44.013% * 10.2812% (0.24   1.0   4.09  19.00) =  14.184%  kept
          HN    CYS   50 - HA    SER   48   4.61 +/- 1.01  19.991% *  4.5404% (0.36   1.0   1.19   0.02) =   2.845%  kept
          HN    TRP   49 - HB2   SER   82  16.75 +/- 3.61   0.487% *  0.1541% (0.72   1.0   0.02   0.02) =   0.002%
          HN    CYS   50 - HB2   SER   82  18.23 +/- 4.07   0.372% *  0.1385% (0.65   1.0   0.02   0.02) =   0.002%
          HE22  GLN   30 - HA    VAL   70  10.51 +/- 1.65   1.570% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  13.36 +/- 3.58   1.254% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  22.18 +/- 7.00   0.270% *  0.0688% (0.32   1.0   0.02   0.02) =   0.001%
          HN    CYS   50 - HA    VAL   70  22.11 +/- 3.30   0.269% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  23.16 +/- 2.91   0.157% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  21.22 +/- 3.81   0.194% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.69 +/- 2.60   0.141% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 4.29, residual support = 34.7:
      O   HN    SER   82 - HB2   SER   82   2.69 +/- 0.52  90.913% * 99.0159% (0.39  10.0   4.29  34.68) =  99.992%  kept
          HN    GLY   16 - HA    VAL   70   9.73 +/- 4.45   5.620% *  0.0820% (0.32   1.0   0.02   0.02) =   0.005%
          HN    SER   82 - HA    SER   48  13.50 +/- 3.87   1.593% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    VAL   70  17.08 +/- 3.80   0.756% *  0.0820% (0.32   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  21.43 +/- 2.68   0.332% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  25.32 +/- 5.13   0.331% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  28.55 +/- 6.13   0.145% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  28.67 +/- 3.03   0.113% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.13 +/- 2.36   0.198% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 40.1:
          HN    ALA   84 - HB    VAL   83   3.31 +/- 0.25  97.696% * 98.8120% (0.44   5.33  40.12) =  99.990%  kept
          HE21  GLN   32 - HB    VAL   83  23.96 +/- 8.23   0.946% *  0.6835% (0.80   0.02   0.02) =   0.007%
          HN    LYS+ 111 - HB    VAL   83  21.40 +/- 3.63   0.520% *  0.3710% (0.44   0.02   0.02) =   0.002%
          HN    ILE   56 - HB    VAL   83  20.51 +/- 3.67   0.837% *  0.1335% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 85.2:
      O   HN    VAL   83 - HB    VAL   83   2.08 +/- 0.34  96.743% * 99.8243% (0.65  10.0   4.77  85.22) =  99.997%  kept
          HN    CYS   50 - HB    VAL   83  15.48 +/- 3.72   1.238% *  0.1375% (0.90   1.0   0.02   0.02) =   0.002%
          HN    TRP   49 - HB    VAL   83  14.33 +/- 3.35   2.019% *  0.0382% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.01 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   8.00 +/- 0.63  58.067% * 31.7530% (0.96   0.02   0.02) =  69.491%  kept
          HD21  ASN   28 - HA    ALA   84  17.04 +/- 6.18  14.102% * 30.7120% (0.93   0.02   0.02) =  16.323%  kept
          QE    PHE   60 - HA    ALA   84  14.27 +/- 3.20  14.398% * 16.7431% (0.51   0.02   0.02) =   9.086%  kept
          HN    ILE   56 - HA    ALA   84  18.36 +/- 3.04   8.115% *  8.8482% (0.27   0.02   0.02) =   2.706%  kept
          HN    LEU   63 - HA    ALA   84  19.05 +/- 2.33   5.318% * 11.9438% (0.36   0.02   0.02) =   2.394%  kept
    Distance limit 3.62 A violated in 20 structures by 4.19 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.293, residual support = 0.272:
          QE    PHE   45 - HA    ALA   84   7.11 +/- 2.84  76.564% * 90.0301% (0.81   0.30   0.28) =  98.271%  kept
          QD    PHE   72 - HA    ALA   84  15.22 +/- 1.51  12.827% *  6.9916% (0.93   0.02   0.02) =   1.279%  kept
          HZ    PHE   72 - HA    ALA   84  16.68 +/- 1.46  10.609% *  2.9784% (0.40   0.02   0.02) =   0.450%  kept
    Distance limit 4.19 A violated in 11 structures by 2.88 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 = 1.5, residual support = 13.5:
          HB    ILE   89 - HA    ALA   84   3.94 +/- 2.09  91.535% * 98.5902% (0.91   1.50  13.52) =  99.940%  kept
          QG1   ILE   56 - HA    ALA   84  16.70 +/- 2.71   7.390% *  0.6230% (0.43   0.02   0.02) =   0.051%
          HB3   LYS+  99 - HA    ALA   84  23.17 +/- 4.03   1.075% *  0.7867% (0.55   0.02   0.02) =   0.009%
    Distance limit 3.96 A violated in 2 structures by 0.68 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.775, support = 3.21, residual support = 27.0:
          QG2   VAL   83 - HA    ALA   84   3.31 +/- 0.78  53.665% * 46.5100% (0.66   3.46  40.12) =  50.795%  kept
          QD1   ILE   89 - HA    ALA   84   3.77 +/- 1.30  45.282% * 53.3925% (0.89   2.96  13.52) =  49.203%  kept
          QD2   LEU   31 - HA    ALA   84  15.27 +/- 4.65   1.053% *  0.0975% (0.24   0.02   0.02) =   0.002%
    Distance limit 3.89 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 = 2.96, residual support = 13.5:
          HG13  ILE   89 - HA    ALA   84   3.90 +/- 2.42 100.000% *100.0000% (0.55   2.96  13.52) = 100.000%  kept
    Distance limit 3.96 A violated in 6 structures by 1.00 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.773, support = 3.77, residual support = 27.3:
          QG2   VAL   83 - QB    ALA   84   3.78 +/- 0.68  56.581% * 43.3385% (0.66  1.00   3.85  40.12) =  51.707%  kept
          QD1   ILE   89 - QB    ALA   84   4.52 +/- 1.17  40.975% * 55.8444% (0.89  1.00   3.69  13.52) =  48.251%  kept
        T QD2   LEU   31 - QB    ALA   84  13.37 +/- 3.59   2.444% *  0.8171% (0.24 10.00   0.02   0.02) =   0.042%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.7, residual support = 13.5:
          HG13  ILE   89 - QB    ALA   84   4.57 +/- 2.16 100.000% *100.0000% (0.55   3.70  13.52) = 100.000%  kept
    Distance limit 3.89 A violated in 6 structures by 1.15 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.852, support = 0.02, residual support = 0.272:
          QD    PHE   45 - QB    ALA   84   6.82 +/- 1.47  90.542% * 73.1356% (0.87   0.02   0.28) =  98.125%  kept
          HD2   HIS  122 - QB    ALA   84  20.51 +/- 2.32   4.444% * 14.2817% (0.17   0.02   0.02) =   0.941%  kept
          HE22  GLN  116 - QB    ALA   84  22.06 +/- 3.31   5.013% * 12.5826% (0.15   0.02   0.02) =   0.935%  kept
    Distance limit 4.11 A violated in 17 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.684, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   9.13 +/- 2.87  69.078% * 28.9138% (0.59   0.02   0.02) =  62.134%  kept
          HE22  GLN   30 - QB    ALA   84  18.06 +/- 4.13  21.108% * 46.0056% (0.93   0.02   0.02) =  30.209%  kept
          HD22  ASN   69 - QB    ALA   84  21.96 +/- 2.41   9.815% * 25.0806% (0.51   0.02   0.02) =   7.658%  kept
    Distance limit 4.34 A violated in 17 structures by 4.70 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   2.13 +/- 0.08  94.310% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  10.96 +/- 3.50   3.187% *  0.0243% (0.24   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - QB    SER   85  22.69 +/- 6.61   0.170% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  14.41 +/- 1.03   0.329% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.00 +/- 0.91   0.767% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  22.37 +/- 4.74   0.170% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.07 +/- 3.45   0.103% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  24.12 +/- 5.69   0.111% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.87 +/- 0.96   0.473% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  24.13 +/- 2.40   0.074% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  20.82 +/- 4.36   0.221% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.76 +/- 2.85   0.082% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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   2.96 +/- 0.19  89.210% * 97.6159% (0.87   3.33  13.44) =  99.984%  kept
          HN    ASP-  86 - QB    SER   48  12.16 +/- 3.33   3.124% *  0.1430% (0.21   0.02   0.02) =   0.005%
          HN    GLU-  29 - QB    SER   85  21.43 +/- 6.66   0.520% *  0.6629% (0.98   0.02   0.02) =   0.004%
          HN    GLN   30 - QB    SER   85  21.56 +/- 6.17   0.462% *  0.5416% (0.80   0.02   0.02) =   0.003%
          HN    GLU-  29 - QB    SER   48  21.40 +/- 4.04   0.420% *  0.1616% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER   48  21.05 +/- 3.60   0.377% *  0.1321% (0.20   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    SER  117  23.20 +/- 5.18   0.460% *  0.1023% (0.15   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER  117  21.62 +/- 4.76   0.480% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.64 +/- 0.71   2.016% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.47 +/- 3.84   0.129% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  23.91 +/- 2.73   0.201% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  24.90 +/- 5.18   0.186% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  20.08 +/- 5.80   0.705% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  25.16 +/- 3.06   0.171% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.14 +/- 5.11   0.311% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  23.41 +/- 4.75   0.384% *  0.0232% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  18.25 +/- 3.59   0.583% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  21.36 +/- 2.10   0.263% *  0.0223% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.4:
      O   HN    SER  117 - QB    SER  117   2.19 +/- 0.17  99.360% * 98.5738% (0.12  10.0   2.79  15.40) =  99.999%  kept
          HN    SER  117 - QB    SER   85  25.00 +/- 2.18   0.078% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   48  20.58 +/- 2.29   0.177% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  27.88 +/- 4.51   0.058% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.21 +/- 4.03   0.207% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  24.10 +/- 4.84   0.120% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.83 +/- 0.02  98.770% * 99.8725% (0.99  10.0   3.65  18.03) = 100.000%  kept
          HN    GLN   32 - HA    SER   85  25.50 +/- 6.73   0.248% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    SER   85  14.35 +/- 1.12   0.807% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  26.90 +/- 5.80   0.175% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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   2.63 +/- 0.49  97.740% * 99.6620% (0.95  10.0   3.55  42.53) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  21.38 +/- 7.85   0.697% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  21.53 +/- 8.21   0.697% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  20.48 +/- 6.69   0.569% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  25.42 +/- 4.05   0.180% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  29.42 +/- 5.61   0.116% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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   2.57 +/- 0.47  98.177% * 99.2641% (0.49  10.0   5.03  42.53) =  99.998%  kept
          HN    LYS+  99 - HB2   ASP-  86  20.29 +/- 6.78   0.522% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  21.24 +/- 7.76   0.485% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  24.85 +/- 4.19   0.227% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  29.21 +/- 5.44   0.120% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  21.46 +/- 8.07   0.469% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.427, support = 3.63, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   3.02 +/- 0.30  82.444% * 36.7439% (0.38   3.60  22.71) =  77.470%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.85 +/- 0.92  14.297% * 61.5053% (0.61   3.73  22.71) =  22.489%  kept
          HN    ALA   91 - HB2   ASP-  86  11.12 +/- 0.78   1.800% *  0.5145% (0.95   0.02   0.02) =   0.024%
          HN    TRP   27 - HB2   ASP-  86  19.27 +/- 7.58   0.919% *  0.5249% (0.97   0.02   0.02) =   0.012%
          HN    ALA   61 - HB2   ASP-  86  21.06 +/- 2.55   0.288% *  0.4878% (0.90   0.02   0.02) =   0.004%
          HN    THR   39 - HB2   ASP-  86  25.15 +/- 5.63   0.252% *  0.2236% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 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   2.61 +/- 0.60  90.491% * 95.5142% (0.22 10.00   2.25  10.79) =  99.769%  kept
          HB3   SER   82 - HB2   ASP-  86   6.72 +/- 0.85   6.511% *  2.9455% (0.41  1.00   0.33   0.02) =   0.221%  kept
          HB2   CYS   53 - HB2   ASP-  86  18.52 +/- 3.01   0.997% *  0.3848% (0.90  1.00   0.02   0.02) =   0.004%
          HD3   PRO   52 - HB2   ASP-  86  19.64 +/- 3.38   0.506% *  0.3960% (0.92  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HB2   ASP-  86  22.93 +/- 7.52   0.471% *  0.4140% (0.97  1.00   0.02   0.02) =   0.002%
          HA    GLU- 100 - HB2   ASP-  86  22.67 +/- 6.81   0.355% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.53 +/- 2.44   0.207% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  27.74 +/- 5.44   0.217% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  24.39 +/- 5.14   0.245% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.16, residual support = 42.5:
      O   HN    ASP-  86 - HA    ASP-  86   2.74 +/- 0.04  98.630% * 99.2641% (0.49  10.0   4.16  42.53) =  99.998%  kept
          HN    LYS+  99 - HA    ASP-  86  22.02 +/- 6.64   0.398% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  23.22 +/- 7.64   0.366% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  26.98 +/- 3.86   0.130% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  31.37 +/- 5.03   0.085% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  23.25 +/- 8.09   0.391% *  0.0315% (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 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.99, support = 3.54, residual support = 74.4:
          HE3   TRP   87 - HA    TRP   87   3.59 +/- 0.21  86.601% * 98.5732% (0.99   3.54  74.44) =  99.926%  kept
          HN    ALA   91 - HA    TRP   87   9.22 +/- 1.39  11.682% *  0.4874% (0.87   0.02   0.02) =   0.067%
          HN    TRP   27 - HA    TRP   87  21.04 +/- 6.29   0.983% *  0.2956% (0.53   0.02   2.33) =   0.003%
          HN    ALA   61 - HA    TRP   87  20.97 +/- 2.95   0.518% *  0.5187% (0.92   0.02   0.02) =   0.003%
          HN    GLN   17 - HA    TRP   87  28.23 +/- 5.22   0.217% *  0.1251% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 74.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.38 +/- 0.03  96.645% * 99.7445% (0.99  10.0   3.23  74.44) =  99.997%  kept
          HN    ALA   91 - HB2   TRP   87   8.61 +/- 1.14   2.602% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB2   TRP   87  19.98 +/- 6.01   0.435% *  0.0529% (0.53   1.0   0.02   2.33) =   0.000%
          HN    ALA   61 - HB2   TRP   87  19.08 +/- 3.17   0.227% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  26.54 +/- 5.24   0.091% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 74.4:
      O   HE3   TRP   87 - HB3   TRP   87   3.91 +/- 0.07  84.369% * 99.7445% (0.99  10.0   3.23  74.44) =  99.985%  kept
          HN    ALA   91 - HB3   TRP   87   7.49 +/- 0.69  12.951% *  0.0873% (0.87   1.0   0.02   0.02) =   0.013%
          HN    ALA   61 - HB3   TRP   87  18.42 +/- 2.90   0.974% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  19.60 +/- 5.75   1.347% *  0.0529% (0.53   1.0   0.02   2.33) =   0.001%
          HN    GLN   17 - HB3   TRP   87  26.16 +/- 5.15   0.359% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.56 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.917, support = 2.25, residual support = 18.4:
          QD1   ILE   89 - HB2   TRP   87   3.54 +/- 0.57  71.301% * 61.0789% (0.90   2.46  18.86) =  80.620%  kept
          QG2   VAL   83 - HB2   TRP   87   5.40 +/- 0.62  27.162% * 38.5185% (1.00   1.39  16.45) =  19.368%  kept
          QD2   LEU   31 - HB2   TRP   87  15.46 +/- 5.33   1.537% *  0.4026% (0.73   0.02   1.61) =   0.011%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.444, support = 3.94, residual support = 18.8:
        T QD1   ILE   89 - HB3   TRP   87   2.63 +/- 0.87  67.500% * 95.4612% (0.45 10.00   3.98  18.86) =  98.000%  kept
          QG2   VAL   83 - HB3   TRP   87   4.56 +/- 0.79  29.561% *  4.4423% (0.22  1.00   1.87  16.45) =   1.997%  kept
          QG2   VAL   75 - HB3   TRP   87   9.55 +/- 2.87   2.301% *  0.0592% (0.28  1.00   0.02   0.02) =   0.002%
          QG2   VAL   42 - HB3   TRP   87  13.98 +/- 2.87   0.638% *  0.0373% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.246, support = 0.718, residual support = 18.0:
          HG12  ILE   89 - HB3   TRP   87   3.75 +/- 1.43  67.613% * 54.8868% (0.22   0.75  18.86) =  95.662%  kept
          QB    ALA   91 - HB3   TRP   87   7.23 +/- 1.50  24.395% *  5.7027% (0.87   0.02   0.02) =   3.586%  kept
          HG2   LYS+  74 - HB3   TRP   87  15.17 +/- 2.29   1.315% *  5.8960% (0.90   0.02   0.02) =   0.200%  kept
          QG2   ILE   56 - HB3   TRP   87  14.90 +/- 2.93   2.170% *  2.7027% (0.41   0.02   0.02) =   0.151%  kept
          QG2   THR   39 - HB3   TRP   87  19.90 +/- 2.77   0.588% *  5.7027% (0.87   0.02   0.02) =   0.086%
          HG3   LYS+  99 - HB3   TRP   87  23.14 +/- 4.90   0.494% *  6.0688% (0.92   0.02   0.02) =   0.077%
          HG13  ILE   19 - HB3   TRP   87  23.07 +/- 5.75   0.409% *  6.5596% (1.00   0.02   0.02) =   0.069%
          HG    LEU   71 - HB3   TRP   87  22.89 +/- 3.43   0.393% *  5.7027% (0.87   0.02   0.02) =   0.058%
          QB    ALA   34 - HB3   TRP   87  18.34 +/- 4.48   1.139% *  1.6393% (0.25   0.02   0.02) =   0.048%
          HG3   LYS+ 111 - HB3   TRP   87  18.83 +/- 3.41   1.236% *  1.1513% (0.18   0.02   0.02) =   0.037%
          HG3   LYS+  38 - HB3   TRP   87  27.47 +/- 4.47   0.247% *  3.9875% (0.61   0.02   0.02) =   0.025%
    Distance limit 4.03 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.0:
      O   HN    ALA   88 - HA    ALA   88   2.29 +/- 0.18  98.522% * 99.0353% (0.38  10.0   1.63  12.04) =  99.997%  kept
          HN    PHE   55 - HA    ALA   88  20.01 +/- 3.74   0.481% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    ALA   88  18.85 +/- 3.78   0.727% *  0.1449% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ALA   88  23.64 +/- 5.66   0.135% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  22.74 +/- 2.45   0.136% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 12.0:
      O   HN    ALA   88 - QB    ALA   88   2.75 +/- 0.25  98.137% * 99.2112% (0.38  10.0   2.08  12.04) =  99.996%  kept
          HN    PHE   55 - QB    ALA   88  17.01 +/- 2.85   0.501% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    ALA   88  20.68 +/- 4.98   0.413% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  16.19 +/- 2.95   0.633% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - QB    ALA   88  19.68 +/- 2.23   0.315% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 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 = 217.2:
          QD1   ILE   89 - HA    ILE   89   2.88 +/- 0.79  87.877% * 99.6619% (0.92   5.98 217.29) =  99.967%  kept
          QG2   VAL   83 - HA    ILE   89   6.93 +/- 1.02  11.358% *  0.2481% (0.69   0.02   0.02) =   0.032%
          QD2   LEU   31 - HA    ILE   89  16.97 +/- 4.86   0.765% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.46, residual support = 41.3:
      O   HN    GLN   90 - HA    ILE   89   2.87 +/- 0.56  95.548% * 99.8365% (0.99  10.0   6.46  41.25) =  99.998%  kept
          HN    SER   82 - HA    ILE   89  11.74 +/- 0.95   1.841% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HA    ILE   89  11.89 +/- 2.13   2.025% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  19.88 +/- 4.40   0.585% *  0.0903% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.99, residual support = 217.3:
      O   HN    ILE   89 - HA    ILE   89   2.66 +/- 0.21  99.150% * 99.6601% (0.76  10.0   5.99 217.29) =  99.999%  kept
          HN    CYS   21 - HA    ILE   89  19.95 +/- 6.16   0.379% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  21.63 +/- 2.20   0.216% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  28.74 +/- 4.58   0.101% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  26.17 +/- 5.64   0.155% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.909, support = 2.39, residual support = 8.49:
          HN    ALA   91 - HA    ILE   89   3.82 +/- 0.64  66.796% * 78.0043% (0.95   2.48   7.73) =  93.124%  kept
          HD1   TRP   87 - HA    ILE   89   6.01 +/- 1.05  22.121% * 15.0425% (0.38   1.21  18.86) =   5.947%  kept
          HE3   TRP   87 - HA    ILE   89   7.77 +/- 0.65   9.360% *  5.4443% (0.61   0.27  18.86) =   0.911%  kept
          HN    ALA   61 - HA    ILE   89  18.17 +/- 3.00   0.857% *  0.5953% (0.90   0.02   0.02) =   0.009%
          HN    TRP   27 - HA    ILE   89  21.04 +/- 5.40   0.637% *  0.6406% (0.97   0.02   0.02) =   0.007%
          HN    THR   39 - HA    ILE   89  26.81 +/- 4.03   0.228% *  0.2729% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.738, support = 5.29, residual support = 216.3:
      O T QD1   ILE   89 - HB    ILE   89   2.91 +/- 0.38  63.754% * 97.8429% (0.74  10.0 10.00   5.31 217.29) =  99.551%  kept
          QG2   VAL   83 - HB    ILE   89   5.77 +/- 1.70  14.275% *  1.8434% (0.55   1.0  1.00   0.51   0.02) =   0.420%  kept
        T QD1   ILE   89 - HB    VAL   43   8.81 +/- 2.79   6.182% *  0.2137% (0.16   1.0 10.00   0.02   0.02) =   0.021%
        T QD2   LEU   31 - HB    VAL   43   8.51 +/- 2.97   6.307% *  0.0577% (0.04   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   83 - HB    VAL   43   8.94 +/- 3.45   8.651% *  0.0159% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HB    ILE   89  16.24 +/- 4.94   0.830% *  0.0264% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 217.3:
      O T HG13  ILE   89 - HB    ILE   89   2.51 +/- 0.24  97.921% * 99.7821% (0.78  10.0 10.00   4.97 217.29) =  99.995%  kept
        T HG13  ILE   89 - HB    VAL   43  11.92 +/- 3.46   2.079% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.36 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 = 217.3:
      O   HN    ILE   89 - HB    ILE   89   2.92 +/- 0.56  91.370% * 99.5645% (0.61  10.0   5.57 217.29) =  99.997%  kept
          HN    CYS   21 - HB    ILE   89  18.91 +/- 6.20   0.675% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    VAL   43  11.97 +/- 3.89   3.000% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    ILE   89  21.72 +/- 2.71   0.330% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  12.85 +/- 3.24   1.838% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.84 +/- 1.72   0.917% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  27.94 +/- 4.58   0.139% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  17.01 +/- 1.04   0.585% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  25.25 +/- 5.77   0.232% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  15.44 +/- 2.43   0.913% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 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  12.22 +/- 2.71 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.64 A violated in 20 structures by 8.58 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 1.2, residual support = 18.8:
          HD1   TRP   87 - QG2   ILE   89   4.47 +/- 0.28  93.025% * 94.9648% (0.95   1.20  18.86) =  99.918%  kept
          HN    LYS+ 102 - QG2   ILE   89  18.83 +/- 3.54   1.636% *  1.3391% (0.80   0.02   0.02) =   0.025%
          HN    TRP   27 - QG2   ILE   89  16.21 +/- 4.64   3.290% *  0.5704% (0.34   0.02   0.02) =   0.021%
          HN    THR   39 - QG2   ILE   89  21.09 +/- 3.40   1.083% *  1.5437% (0.92   0.02   0.02) =   0.019%
          HN    GLU-  36 - QG2   ILE   89  22.96 +/- 4.32   0.967% *  1.5819% (0.95   0.02   0.02) =   0.017%
    Distance limit 3.69 A violated in 0 structures by 0.79 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.32, residual support = 41.2:
          HN    GLN   90 - QG2   ILE   89   2.92 +/- 0.81  93.126% * 99.1969% (0.61   7.32  41.25) =  99.975%  kept
          HN    SER   82 - QG2   ILE   89   8.86 +/- 0.79   4.978% *  0.4125% (0.92   0.02   0.02) =   0.022%
          HN    ILE  103 - QG2   ILE   89  16.19 +/- 3.48   0.787% *  0.1837% (0.41   0.02   0.02) =   0.002%
          HN    SER  117 - QG2   ILE   89  16.76 +/- 2.29   0.807% *  0.0690% (0.15   0.02   0.02) =   0.001%
          HN    GLY   16 - QG2   ILE   89  22.19 +/- 4.59   0.301% *  0.1379% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 0.749, residual support = 11.7:
        T HB2   PHE   45 - QG2   ILE   89   5.15 +/- 2.90  73.325% * 99.5807% (0.97 10.00   0.75  11.72) =  99.910%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.48 +/- 2.99  21.133% *  0.2745% (1.00  1.00   0.02   0.02) =   0.079%
          HB2   CYS   21 - QG2   ILE   89  14.78 +/- 5.61   5.541% *  0.1448% (0.53  1.00   0.02   0.02) =   0.011%
    Distance limit 4.10 A violated in 5 structures by 1.45 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.213, support = 5.42, residual support = 36.2:
          QG    GLN   90 - QG2   ILE   89   4.44 +/- 0.48  46.159% * 68.8480% (0.15   6.13  41.25) =  87.813%  kept
          HG2   MET   92 - QG2   ILE   89   6.73 +/- 2.16  28.394% * 12.5159% (0.73   0.24   0.02) =   9.820%  kept
          HB2   ASP-  44 - QG2   ILE   89   9.92 +/- 2.83   5.552% * 13.0759% (0.28   0.65   0.02) =   2.006%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.85 +/- 1.92   8.682% *  0.8241% (0.57   0.02   0.02) =   0.198%  kept
          QG    GLU- 114 - QG2   ILE   89  12.38 +/- 2.45   2.652% *  0.9417% (0.65   0.02   0.02) =   0.069%
          HG2   PRO   52 - QG2   ILE   89  10.17 +/- 2.57   5.398% *  0.3241% (0.22   0.02   0.02) =   0.048%
          QB    MET   11 - QG2   ILE   89  24.91 +/- 3.97   0.360% *  1.2159% (0.84   0.02   0.02) =   0.012%
          HB3   PHE   72 - QG2   ILE   89  15.11 +/- 2.95   1.345% *  0.2881% (0.20   0.02   0.02) =   0.011%
          QG    GLU-  15 - QG2   ILE   89  20.98 +/- 4.35   0.596% *  0.5463% (0.38   0.02   0.02) =   0.009%
          HG3   GLU-  36 - QG2   ILE   89  25.15 +/- 4.21   0.287% *  1.0570% (0.73   0.02   0.02) =   0.008%
          QG    GLU-  14 - QG2   ILE   89  20.30 +/- 3.21   0.575% *  0.3630% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.73 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.505, support = 0.733, residual support = 11.3:
        T HB3   PHE   45 - QG2   ILE   89   4.98 +/- 2.93  57.371% * 91.4261% (0.49 10.00   0.75  11.72) =  96.395%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.07 +/- 1.23  27.073% *  7.1281% (1.00  1.00   0.28   0.02) =   3.547%  kept
          QE    LYS+ 112 - QG2   ILE   89  12.24 +/- 3.45   5.447% *  0.2438% (0.49  1.00   0.02   0.02) =   0.024%
          HG3   MET   96 - QG2   ILE   89  11.14 +/- 3.32   4.836% *  0.1709% (0.34  1.00   0.02   0.02) =   0.015%
          HB3   ASP-  62 - QG2   ILE   89  16.11 +/- 2.67   1.304% *  0.3828% (0.76  1.00   0.02   0.02) =   0.009%
          HG2   GLU-  29 - QG2   ILE   89  20.82 +/- 5.03   0.596% *  0.4834% (0.97  1.00   0.02   0.02) =   0.005%
          HB    VAL  107 - QG2   ILE   89  12.04 +/- 2.23   3.079% *  0.0773% (0.15  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  36 - QG2   ILE   89  25.27 +/- 4.45   0.294% *  0.0877% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.418, support = 3.32, residual support = 10.8:
          QB    ALA   84 - QG2   ILE   89   4.02 +/- 1.05  47.784% * 25.2406% (0.49   1.93  13.52) =  48.560%  kept
          QB    ALA   88 - QG2   ILE   89   5.16 +/- 0.59  25.642% * 43.2775% (0.31   5.21   9.39) =  44.680%  kept
          HB3   PRO   93 - QG2   ILE   89   8.24 +/- 1.82   6.607% * 12.8202% (0.45   1.06   0.02) =   3.410%  kept
          HB3   ASP-  44 - QG2   ILE   89   9.78 +/- 2.81   5.019% * 15.0883% (0.87   0.65   0.02) =   3.049%  kept
          HB3   LEU   80 - QG2   ILE   89   7.82 +/- 1.37   8.268% *  0.5336% (0.99   0.02   0.02) =   0.178%  kept
          HG2   LYS+ 111 - QG2   ILE   89  14.33 +/- 2.73   1.502% *  0.5196% (0.97   0.02   0.02) =   0.031%
          HB2   LEU   31 - QG2   ILE   89  17.74 +/- 5.15   1.376% *  0.5336% (0.99   0.02   0.02) =   0.030%
          HB2   LEU   63 - QG2   ILE   89  14.02 +/- 3.48   1.423% *  0.5093% (0.95   0.02   0.02) =   0.029%
          HG    LEU   98 - QG2   ILE   89  14.99 +/- 3.72   1.392% *  0.3266% (0.61   0.02   0.02) =   0.018%
          HG2   LYS+  99 - QG2   ILE   89  20.22 +/- 3.38   0.427% *  0.4115% (0.76   0.02   0.02) =   0.007%
          QB    ALA  124 - QG2   ILE   89  21.85 +/- 2.09   0.301% *  0.3910% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   ILE   89  23.54 +/- 3.51   0.259% *  0.3483% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.50 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.86, residual support = 217.3:
      O T HG13  ILE   89 - QG2   ILE   89   2.62 +/- 0.35 100.000% *100.0000% (0.98  10.0 10.00   5.86 217.29) = 100.000%  kept
    Distance limit 3.29 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 = 0.919, support = 6.38, residual support = 213.4:
        T QD1   ILE   89 - QG2   ILE   89   2.00 +/- 0.30  87.276% * 88.0216% (0.92 10.00   6.49 217.29) =  98.202%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.75 +/- 1.02  11.761% * 11.9546% (0.69 10.00   0.37   0.02) =   1.797%  kept
          QD2   LEU   31 - QG2   ILE   89  13.12 +/- 4.07   0.963% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 217.3:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.02  88.223% * 99.4549% (0.92  10.0 10.00   5.65 217.29) =  99.990%  kept
          QG2   VAL   83 - HG12  ILE   89   5.37 +/- 1.57  10.041% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.008%
        T QD1   ILE   89 - HG3   LYS+  99  19.02 +/- 3.51   0.171% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG12  ILE   89  16.05 +/- 4.71   0.417% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  11.77 +/- 2.83   0.924% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  18.78 +/- 4.52   0.223% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 217.3:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.949% * 99.5961% (0.98  10.0 10.00   5.17 217.29) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  24.23 +/- 4.15   0.051% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.898, support = 5.22, residual support = 214.8:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.02  82.629% * 94.5704% (0.90  10.0 10.00   5.27 217.29) =  98.855%  kept
          QG2   VAL   83 - HG13  ILE   89   5.24 +/- 1.83  16.895% *  5.3530% (1.00   1.0  1.00   1.02   0.02) =   1.144%  kept
          QD2   LEU   31 - HG13  ILE   89  15.82 +/- 4.85   0.476% *  0.0766% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 5.85, residual support = 217.0:
      O T QG2   ILE   89 - HG13  ILE   89   2.62 +/- 0.35  83.127% * 99.3718% (0.84  10.0 10.00   5.86 217.29) =  99.872%  kept
          QG1   VAL   83 - HG13  ILE   89   6.64 +/- 2.08  16.873% *  0.6282% (0.22   1.0  1.00   0.47   0.02) =   0.128%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 217.2:
      O T HB    ILE   89 - HG13  ILE   89   2.51 +/- 0.24  95.589% * 98.8208% (0.49  10.0 10.00   4.97 217.29) =  99.977%  kept
        T HB    VAL   43 - HG13  ILE   89  11.92 +/- 3.46   2.029% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.021%
          QD    LYS+  81 - HG13  ILE   89  10.10 +/- 2.38   2.004% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HG13  ILE   89  22.27 +/- 3.86   0.192% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  22.55 +/- 3.95   0.186% *  0.0313% (0.15   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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 217.3:
          HN    ILE   89 - HG13  ILE   89   3.49 +/- 0.70  97.072% * 98.7786% (0.76   5.52 217.29) =  99.989%  kept
          HN    CYS   21 - HG13  ILE   89  18.50 +/- 6.42   1.442% *  0.4202% (0.90   0.02   0.02) =   0.006%
          HN    ILE  119 - HG13  ILE   89  21.21 +/- 2.89   0.718% *  0.4432% (0.95   0.02   0.02) =   0.003%
          HN    SER   37 - HG13  ILE   89  27.29 +/- 4.64   0.292% *  0.2653% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  24.70 +/- 5.72   0.477% *  0.0927% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.78, residual support = 217.3:
          HN    ILE   89 - HG12  ILE   89   2.58 +/- 0.70  93.173% * 98.2315% (0.76   5.78 217.29) =  99.989%  kept
          HN    SER   37 - HG3   LYS+  99  11.72 +/- 3.62   2.602% *  0.1022% (0.23   0.02   0.02) =   0.003%
          HN    CYS   21 - HG12  ILE   89  19.03 +/- 6.26   0.586% *  0.3991% (0.90   0.02   0.02) =   0.003%
          HN    CYS   21 - HG3   LYS+  99  18.93 +/- 3.22   0.839% *  0.1619% (0.36   0.02   0.02) =   0.001%
          HN    ILE  119 - HG12  ILE   89  21.69 +/- 2.45   0.301% *  0.4210% (0.95   0.02   0.02) =   0.001%
          HN    ILE  119 - HG3   LYS+  99  18.14 +/- 3.71   0.495% *  0.1707% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG3   LYS+  99  14.32 +/- 2.79   1.532% *  0.0357% (0.08   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  27.54 +/- 4.38   0.114% *  0.2519% (0.57   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.10 +/- 4.29   0.188% *  0.1379% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  24.95 +/- 5.53   0.169% *  0.0881% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 217.3:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 217.29) = 100.000%  kept
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.831, support = 6.45, residual support = 215.9:
        T QG2   ILE   89 - QD1   ILE   89   2.00 +/- 0.30  87.947% * 95.5536% (0.84 10.00   6.49 217.29) =  99.366%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.25 +/- 1.37  12.053% *  4.4464% (0.22 10.00   0.35   0.02) =   0.634%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.65, residual support = 217.3:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.02  96.631% * 99.2664% (1.00  10.0 10.00   5.65 217.29) =  99.997%  kept
          HG3   LYS+ 111 - QD1   ILE   89  14.14 +/- 3.38   0.885% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD1   ILE   89  19.02 +/- 3.51   0.187% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  11.57 +/- 2.10   0.927% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  14.49 +/- 4.09   0.745% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  18.55 +/- 2.90   0.190% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  17.92 +/- 2.84   0.222% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  18.51 +/- 4.53   0.212% *  0.0277% (0.28   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 2983 (1.75, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 5.31, residual support = 217.1:
      O T HB    ILE   89 - QD1   ILE   89   2.91 +/- 0.38  86.687% * 98.8208% (0.49  10.0 10.00   5.31 217.29) =  99.898%  kept
        T HB    VAL   43 - QD1   ILE   89   8.81 +/- 2.79   8.465% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.098%
          QD    LYS+  81 - QD1   ILE   89   9.20 +/- 1.34   3.642% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - QD1   ILE   89  17.33 +/- 3.33   0.618% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  17.56 +/- 3.40   0.588% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.553, support = 0.02, residual support = 0.02:
        T HB3   MET   96 - QD1   ILE   89   8.72 +/- 3.12  47.664% * 63.9859% (0.53 10.00   0.02   0.02) =  87.929%  kept
          HB3   ARG+  54 - QD1   ILE   89  15.02 +/- 2.25  20.386% * 10.5495% (0.87  1.00   0.02   0.02) =   6.200%  kept
          HB    VAL   18 - QD1   ILE   89  17.85 +/- 5.59   9.785% *  7.3765% (0.61  1.00   0.02   0.02) =   2.081%  kept
          HB2   LEU   40 - QD1   ILE   89  17.76 +/- 2.76   6.485% * 10.9071% (0.90  1.00   0.02   0.02) =   2.039%  kept
          HB2   LEU   67 - QD1   ILE   89  16.13 +/- 2.40  11.804% *  4.1485% (0.34  1.00   0.02   0.02) =   1.412%  kept
          HB3   GLU-  14 - QD1   ILE   89  23.04 +/- 3.59   3.877% *  3.0326% (0.25  1.00   0.02   0.02) =   0.339%  kept
    Distance limit 3.66 A violated in 17 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.98, residual support = 18.9:
        T HB3   TRP   87 - QD1   ILE   89   2.63 +/- 0.87  92.911% * 99.8369% (0.76 10.00   3.98  18.86) =  99.998%  kept
          HG3   MET   96 - QD1   ILE   89   9.86 +/- 3.47   6.167% *  0.0177% (0.14  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - QD1   ILE   89  17.61 +/- 2.70   0.766% *  0.1091% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  24.39 +/- 4.26   0.155% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.497, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  13.02 +/- 2.63  57.691% * 62.4025% (0.57   0.02   0.02) =  69.355%  kept
          HB    THR  118 - QD1   ILE   89  14.82 +/- 2.51  42.309% * 37.5975% (0.34   0.02   0.02) =  30.645%  kept
    Distance limit 3.02 A violated in 20 structures by 8.87 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.78, residual support = 11.7:
          QD    PHE   45 - QD1   ILE   89   4.28 +/- 2.30  91.609% * 96.4316% (0.45   2.79  11.72) =  99.875%  kept
          HE22  GLN  116 - QD1   ILE   89  19.28 +/- 3.00   3.402% *  1.5126% (0.98   0.02   0.02) =   0.058%
          HD2   HIS  122 - QD1   ILE   89  17.64 +/- 2.60   3.283% *  1.5295% (0.99   0.02   0.02) =   0.057%
          HE22  GLN   17 - QD1   ILE   89  21.57 +/- 4.28   1.706% *  0.5264% (0.34   0.02   0.02) =   0.010%
    Distance limit 3.95 A violated in 5 structures by 1.02 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.877, support = 2.38, residual support = 18.9:
          HN    TRP   87 - QD1   ILE   89   3.93 +/- 1.04  61.616% * 79.3582% (0.97   2.43  18.86) =  87.253%  kept
          HE3   TRP   87 - QD1   ILE   89   4.98 +/- 0.62  36.920% * 19.3229% (0.28   2.05  18.86) =  12.730%  kept
          HD21  ASN   69 - QD1   ILE   89  19.80 +/- 3.46   0.890% *  0.6411% (0.95   0.02   0.02) =   0.010%
          HN    GLN   17 - QD1   ILE   89  20.96 +/- 4.12   0.574% *  0.6777% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.02 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 217.3:
          HN    ILE   89 - QD1   ILE   89   2.77 +/- 0.82  96.695% * 98.8544% (0.76   5.89 217.29) =  99.988%  kept
          HN    CYS   21 - QD1   ILE   89  15.07 +/- 5.41   1.410% *  0.3941% (0.90   0.02   0.02) =   0.006%
          HN    ILE  119 - QD1   ILE   89  16.74 +/- 2.40   0.997% *  0.4157% (0.95   0.02   0.02) =   0.004%
          HN    SER   37 - QD1   ILE   89  21.84 +/- 3.63   0.365% *  0.2488% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE   89  19.88 +/- 4.53   0.533% *  0.0870% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.03, residual support = 95.1:
          HN    GLN   90 - QG    GLN   90   2.90 +/- 0.63  97.462% * 99.2728% (0.69   6.03  95.06) =  99.991%  kept
          HN    GLY  109 - QG    GLN   90  13.17 +/- 2.11   2.092% *  0.3294% (0.69   0.02   0.02) =   0.007%
          HN    ILE  103 - QG    GLN   90  20.96 +/- 3.04   0.446% *  0.3978% (0.83   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 95.1:
      O   HN    GLN   90 - HB3   GLN   90   3.29 +/- 0.43  95.043% * 99.8365% (0.83  10.0   5.59  95.06) =  99.998%  kept
          HN    SER   82 - HB3   GLN   90  12.87 +/- 2.33   2.159% *  0.0452% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB3   GLN   90  13.47 +/- 2.20   2.438% *  0.0280% (0.23   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HB3   GLN   90  23.13 +/- 3.07   0.360% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 4.11, residual support = 56.5:
      O   HN    GLU-  79 - HB3   GLU-  79   2.75 +/- 0.58  88.689% * 98.3257% (0.16  10.0   4.11  56.50) =  99.964%  kept
          HN    SER   85 - HB2   GLN   90   9.42 +/- 1.94   3.403% *  0.3734% (0.61   1.0   0.02   0.02) =   0.015%
          HN    SER   85 - HB3   GLU-  79  10.83 +/- 1.20   2.851% *  0.2703% (0.44   1.0   0.02   0.02) =   0.009%
          HN    THR   94 - HB2   GLN   90  11.88 +/- 0.63   1.534% *  0.3357% (0.55   1.0   0.02   0.02) =   0.006%
          HN    THR   94 - HB3   GLU-  79  13.21 +/- 1.27   1.149% *  0.2429% (0.40   1.0   0.02   0.02) =   0.003%
          HN    GLU-  79 - HB2   GLN   90  13.21 +/- 2.03   1.264% *  0.1359% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLN   32 - HB3   GLU-  79  18.99 +/- 4.55   0.913% *  0.1327% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  27.68 +/- 4.78   0.196% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.38, residual support = 56.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.59 +/- 0.15  83.873% * 94.7330% (0.57  10.0 10.00   4.39  56.50) =  99.864%  kept
          HB    THR   77 - HB3   GLU-  79   7.70 +/- 0.68   3.428% *  2.5872% (0.46   1.0  1.00   0.67   0.02) =   0.111%  kept
        T HA    GLU-  79 - HB2   GLN   90  14.81 +/- 2.31   0.560% *  1.3090% (0.78   1.0 10.00   0.02   0.02) =   0.009%
          HA    SER   85 - HB2   GLN   90   8.08 +/- 1.79   3.784% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.005%
          HB    THR   77 - HB2   GLN   90   9.24 +/- 2.15   3.334% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.004%
          HA1   GLY   51 - HB2   GLN   90  14.89 +/- 3.67   0.782% *  0.1158% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.21 +/- 1.31   0.805% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.52 +/- 1.30   0.833% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  15.30 +/- 1.59   0.476% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  16.96 +/- 3.85   0.719% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  18.34 +/- 3.78   0.337% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.03 +/- 3.36   0.277% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.04 +/- 3.39   0.281% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.12 +/- 2.52   0.138% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.48 +/- 2.19   0.174% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.78 +/- 1.84   0.059% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.20 +/- 3.96   0.092% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  37.50 +/- 5.34   0.049% *  0.0917% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.621, support = 0.82, residual support = 0.783:
          QB    ALA   88 - QG    GLN   90   4.94 +/- 1.08  61.080% * 93.6559% (0.62   0.84   0.80) =  97.985%  kept
          QG2   THR   77 - QG    GLN   90   6.73 +/- 1.75  35.642% *  3.1956% (0.88   0.02   0.02) =   1.951%  kept
          QG2   THR   23 - QG    GLN   90  17.21 +/- 3.89   2.409% *  1.2236% (0.34   0.02   0.02) =   0.050%
          HG2   LYS+  99 - QG    GLN   90  25.69 +/- 2.45   0.512% *  0.8129% (0.22   0.02   0.02) =   0.007%
          HG2   LYS+  38 - QG    GLN   90  29.21 +/- 2.88   0.358% *  1.1121% (0.31   0.02   0.02) =   0.007%
    Distance limit 3.58 A violated in 4 structures by 1.12 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.653, support = 0.02, residual support = 0.02:
          HB3   LYS+ 111 - QG    GLN   90  17.53 +/- 2.53  12.990% * 17.3580% (0.90   0.02   0.02) =  29.671%  kept
          QG    LYS+  81 - QG    GLN   90   8.31 +/- 2.91  49.536% *  3.4351% (0.18   0.02   0.02) =  22.391%  kept
          HD3   LYS+  74 - QG    GLN   90  16.20 +/- 2.84   8.543% * 17.3194% (0.89   0.02   0.02) =  19.470%  kept
          HB3   LYS+ 121 - QG    GLN   90  24.34 +/- 1.65   3.167% * 17.0143% (0.88   0.02   0.02) =   7.090%  kept
          HG    LEU  104 - QG    GLN   90  23.14 +/- 2.09   3.155% * 17.0143% (0.88   0.02   0.02) =   7.064%  kept
          QD    LYS+  66 - QG    GLN   90  21.14 +/- 3.89   4.552% *  9.8273% (0.51   0.02   0.02) =   5.887%  kept
          HG2   LYS+ 106 - QG    GLN   90  17.19 +/- 2.50   9.220% *  2.6782% (0.14   0.02   0.02) =   3.249%  kept
          HG2   LYS+  33 - QG    GLN   90  25.85 +/- 4.32   1.842% *  8.4490% (0.44   0.02   0.02) =   2.048%  kept
          HG2   LYS+  65 - QG    GLN   90  21.89 +/- 2.83   3.942% *  3.0399% (0.16   0.02   0.02) =   1.577%  kept
          HD2   LYS+ 121 - QG    GLN   90  24.47 +/- 1.55   3.054% *  3.8645% (0.20   0.02   0.02) =   1.553%  kept
    Distance limit 3.83 A violated in 17 structures by 4.08 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.727, support = 2.92, residual support = 62.2:
      O   HG3   MET   92 - HB2   MET   92   2.91 +/- 0.17  89.662% * 77.4326% (0.73  10.0  1.00   2.96  63.14) =  98.464%  kept
        T QG    GLN   90 - HB2   MET   92   8.32 +/- 1.33   5.220% * 20.6241% (0.80   1.0 10.00   0.48   0.17) =   1.527%  kept
        T HB2   ASP- 105 - HB2   MET   92  16.64 +/- 1.50   0.519% *  0.3637% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HB2   MET   92  12.08 +/- 1.70   1.968% *  0.0647% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  25.78 +/- 2.68   0.149% *  0.6898% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   MET   92  26.27 +/- 3.16   0.162% *  0.5190% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB2   MET   92  16.70 +/- 1.94   0.559% *  0.1064% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  19.03 +/- 2.40   0.417% *  0.0774% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.50 +/- 2.37   1.088% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.87 +/- 2.81   0.136% *  0.0891% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.60 +/- 1.12   0.122% *  0.0144% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 63.1:
      O   HN    MET   92 - HB2   MET   92   2.50 +/- 0.45  87.243% * 99.7272% (0.92  10.0   3.94  63.14) =  99.986%  kept
          HN    THR   46 - HB2   MET   92   8.75 +/- 1.76  10.972% *  0.1078% (1.00   1.0   0.02   0.02) =   0.014%
          HN    LYS+ 112 - HB2   MET   92  11.51 +/- 2.66   1.326% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  17.16 +/- 1.77   0.415% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  35.77 +/- 5.06   0.045% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 63.1:
      O T HA    MET   92 - HB2   MET   92   2.86 +/- 0.24  99.447% * 99.8006% (0.61  10.0 10.00   3.87  63.14) =  99.999%  kept
          HA    HIS  122 - HB2   MET   92  23.23 +/- 1.71   0.203% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  19.59 +/- 1.23   0.349% *  0.0676% (0.41   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 63.1:
      O   HG3   MET   92 - HB3   MET   92   2.65 +/- 0.22  92.780% * 96.7670% (0.73  10.0   3.29  63.14) =  99.915%  kept
          QG    GLN   90 - HB3   MET   92   9.22 +/- 1.09   2.835% *  2.5733% (0.80   1.0   0.48   0.17) =   0.081%
          HB2   ASP-  44 - HB3   MET   92  11.31 +/- 1.58   1.744% *  0.0808% (0.61   1.0   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB3   MET   92  15.49 +/- 2.11   0.559% *  0.1330% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  18.41 +/- 2.51   0.346% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.86 +/- 1.51   0.498% *  0.0455% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.48 +/- 1.92   0.786% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  26.61 +/- 2.50   0.102% *  0.1113% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  25.24 +/- 2.53   0.124% *  0.0862% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  25.64 +/- 2.85   0.124% *  0.0649% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.17 +/- 0.97   0.102% *  0.0180% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 63.1:
      O T HA    MET   92 - HB3   MET   92   2.73 +/- 0.16  99.464% * 99.8006% (0.61  10.0 10.00   4.22  63.14) =  99.999%  kept
          HA    HIS  122 - HB3   MET   92  22.19 +/- 1.82   0.209% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  18.97 +/- 1.27   0.327% *  0.0676% (0.41   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 63.1:
      O T HA    MET   92 - HG2   MET   92   3.12 +/- 0.43  99.282% * 99.8006% (0.61  10.0 10.00   2.49  63.14) =  99.999%  kept
          HA    HIS  122 - HG2   MET   92  23.36 +/- 1.76   0.271% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  20.44 +/- 1.45   0.447% *  0.0676% (0.41   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.3, support = 0.738, residual support = 4.55:
          HB2   SER   37 - QG2   THR   39   3.25 +/- 0.74  74.510% * 81.9416% (0.30   0.75   4.62) =  98.382%  kept
          HA1   GLY   16 - QG2   THR   39   9.73 +/- 5.34  19.649% *  4.4003% (0.60   0.02   0.02) =   1.393%  kept
          HA    LYS+  66 - QG2   THR   39  11.73 +/- 2.36   2.213% *  3.3703% (0.46   0.02   0.02) =   0.120%  kept
          HA1   GLY   16 - QG2   THR   23  15.76 +/- 1.93   0.979% *  2.4692% (0.33   0.02   0.02) =   0.039%
          HA    LYS+  66 - QB    ALA   91  18.55 +/- 3.65   0.739% *  1.5915% (0.22   0.02   0.02) =   0.019%
          HB2   SER   37 - QG2   THR   23  16.14 +/- 1.96   0.874% *  1.2262% (0.17   0.02   0.02) =   0.017%
          HA    LYS+  66 - QG2   THR   23  18.27 +/- 2.45   0.540% *  1.8912% (0.26   0.02   0.02) =   0.016%
          HA1   GLY   16 - QB    ALA   91  23.36 +/- 3.50   0.265% *  2.0779% (0.28   0.02   0.02) =   0.009%
          HB2   SER   37 - QB    ALA   91  23.73 +/- 1.47   0.233% *  1.0319% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.3, residual support = 63.1:
      O   HN    MET   92 - HB3   MET   92   3.44 +/- 0.29  85.777% * 99.8535% (0.92  10.0   4.30  63.14) =  99.988%  kept
          HN    THR   46 - HB3   MET   92   8.54 +/- 1.33  10.688% *  0.0827% (0.76   1.0   0.02   0.02) =   0.010%
          HN    ASP- 113 - HB3   MET   92  12.38 +/- 2.37   2.645% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB3   MET   92  16.73 +/- 1.69   0.890% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.697, support = 0.02, residual support = 0.0341:
          HA    THR   46 - HB3   MET   92   7.06 +/- 1.77  43.953% * 16.4223% (0.80   0.02   0.02) =  67.378%  kept
          HA    GLN   90 - HB3   MET   92   8.51 +/- 0.81  28.328% *  3.5917% (0.18   0.02   0.17) =   9.498%  kept
          HA    VAL   42 - HB3   MET   92  15.22 +/- 1.30   5.247% * 18.3930% (0.90   0.02   0.02) =   9.008%  kept
          HA    PHE   55 - HB3   MET   92  13.09 +/- 3.25   9.593% *  6.3300% (0.31   0.02   0.02) =   5.668%  kept
          HA    PRO   58 - HB3   MET   92  15.46 +/- 3.60   7.378% *  5.1139% (0.25   0.02   0.02) =   3.522%  kept
          HA    GLN   17 - HB3   MET   92  24.32 +/- 3.35   1.514% * 17.7900% (0.87   0.02   0.02) =   2.513%  kept
          HA    SER   37 - HB3   MET   92  30.01 +/- 1.32   0.621% * 17.7900% (0.87   0.02   0.02) =   1.031%  kept
          HA    LEU   40 - HB3   MET   92  21.80 +/- 1.55   1.736% *  3.1644% (0.15   0.02   0.02) =   0.513%  kept
          HA    GLU-  15 - HB3   MET   92  27.31 +/- 2.29   0.883% *  5.7022% (0.28   0.02   0.02) =   0.470%  kept
          HA    SER   13 - HB3   MET   92  30.96 +/- 3.69   0.748% *  5.7022% (0.28   0.02   0.02) =   0.398%  kept
    Distance limit 4.32 A violated in 17 structures by 2.09 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 63.1:
      O T HA    MET   92 - HG3   MET   92   2.73 +/- 0.77  98.655% * 99.9198% (0.99  10.0 10.00   3.97  63.14) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  15.93 +/- 1.79   1.038% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG3   MET   92  23.10 +/- 1.67   0.306% *  0.0311% (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 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 63.1:
          HN    MET   92 - HG3   MET   92   3.79 +/- 0.72  84.397% * 99.2793% (0.92   4.04  63.14) =  99.946%  kept
          HN    THR   46 - HG3   MET   92   9.45 +/- 1.55   8.767% *  0.4066% (0.76   0.02   0.02) =   0.043%
          HN    ASP- 113 - HG3   MET   92  12.92 +/- 2.95   5.531% *  0.1327% (0.25   0.02   0.02) =   0.009%
          HN    LYS+  74 - HG3   MET   92  17.70 +/- 2.31   1.305% *  0.1815% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.46 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 = 0.383, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB2   PRO   93   6.61 +/- 1.03  64.299% * 67.4545% (0.41   0.02   0.02) =  89.612%  kept
          HN    LYS+  65 - HB2   PRO   93  13.23 +/- 2.68  17.458% * 25.3164% (0.15   0.02   0.02) =   9.132%  kept
          QD    PHE   45 - HG3   GLN   30  14.69 +/- 1.99   7.553% *  5.2564% (0.03   0.02   0.02) =   0.820%  kept
          HN    LYS+  65 - HG3   GLN   30  14.36 +/- 2.51  10.690% *  1.9728% (0.01   0.02   0.02) =   0.436%  kept
    Distance limit 4.43 A violated in 15 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.38, residual support = 15.7:
      O   HN    THR   94 - HB2   PRO   93   3.93 +/- 0.16  91.054% * 99.8806% (1.00  10.0   4.38  15.66) =  99.996%  kept
          HN    GLU-  79 - HB2   PRO   93  12.49 +/- 2.14   3.714% *  0.0727% (0.73   1.0   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   PRO   93  15.63 +/- 1.32   1.561% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  17.55 +/- 4.44   1.767% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.54 +/- 2.27   1.077% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  23.16 +/- 6.03   0.827% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.385, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.07 +/- 0.85  76.676% * 72.7108% (0.41   0.02   0.02) =  89.753%  kept
          HN    LYS+  65 - HG2   PRO   93  14.92 +/- 3.15  23.324% * 27.2892% (0.15   0.02   0.02) =  10.247%  kept
    Distance limit 4.26 A violated in 19 structures by 3.59 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   2.49 +/- 0.29  92.974% * 98.6893% (0.84  10.0  1.00   5.30 132.29) =  99.990%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.20 +/- 2.66   3.436% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HG3   PRO   93  10.63 +/- 2.04   1.799% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  22.17 +/- 2.88   0.199% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG3   PRO   93  14.26 +/- 2.00   0.843% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  21.51 +/- 2.38   0.221% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  21.68 +/- 3.88   0.360% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.93 +/- 0.92   0.088% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  32.56 +/- 4.66   0.080% *  0.0182% (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 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  94.721% * 96.9677% (0.99  10.0 10.00   3.97 132.29) =  99.992%  kept
        T QB    LYS+  65 - HG3   PRO   93  14.20 +/- 2.78   0.559% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PRO   52 - HG3   PRO   93   7.81 +/- 3.88   4.067% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   PRO   93  18.14 +/- 1.78   0.096% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  21.34 +/- 0.80   0.053% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  19.97 +/- 2.70   0.080% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  14.99 +/- 2.53   0.198% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.67 +/- 0.98   0.095% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.78 +/- 2.90   0.075% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  22.31 +/- 2.59   0.056% *  0.0218% (0.22   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 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 129.0:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  85.058% * 73.9592% (0.95  10.0 10.00   3.97 132.29) =  97.500%  kept
          HB3   MET   92 - HG2   PRO   93   4.37 +/- 0.68   6.246% * 15.9472% (0.92   1.0  1.00   4.42   1.94) =   1.544%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.40 +/- 3.84   7.069% *  8.7051% (0.98   1.0 10.00   0.23   0.02) =   0.954%  kept
        T QD    LYS+  65 - HG2   PRO   93  15.35 +/- 3.38   0.492% *  0.1741% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   PRO   93  21.25 +/- 1.70   0.051% *  0.6261% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.06 +/- 4.10   0.376% *  0.0626% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.62 +/- 1.90   0.296% *  0.0474% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  24.75 +/- 2.26   0.034% *  0.3214% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.93 +/- 1.99   0.068% *  0.0755% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.60 +/- 2.29   0.137% *  0.0217% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.66 +/- 1.01   0.053% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.25 +/- 1.66   0.119% *  0.0155% (0.20   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 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 3.97, residual support = 132.2:
      O   HD3   PRO   93 - HG3   PRO   93   2.54 +/- 0.29  60.742% * 99.5358% (0.97  10.0   3.97 132.29) =  99.940%  kept
          HB3   CYS   53 - HG3   PRO   93   6.41 +/- 3.12  18.714% *  0.0861% (0.84   1.0   0.02   0.02) =   0.027%
          QB    PHE   55 - HG3   PRO   93   7.24 +/- 3.46  14.472% *  0.1029% (1.00   1.0   0.02   0.02) =   0.025%
          HD2   ARG+  54 - HG3   PRO   93   9.88 +/- 2.59   4.521% *  0.0788% (0.76   1.0   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG3   PRO   93  10.70 +/- 2.30   1.223% *  0.0952% (0.92   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HG3   PRO   93  18.74 +/- 3.61   0.329% *  0.1011% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 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   2.64 +/- 0.28  97.956% * 99.4436% (0.25  10.0   3.97 132.29) =  99.994%  kept
          HA    THR   77 - HG3   PRO   93  11.96 +/- 1.86   1.492% *  0.3681% (0.92   1.0   0.02   0.02) =   0.006%
          HB2   TRP   27 - HG3   PRO   93  19.52 +/- 2.83   0.357% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.16 +/- 2.63   0.195% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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  15.00 +/- 2.72 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.31 A violated in 20 structures by 10.69 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.699, support = 2.62, residual support = 5.0:
          HN    ALA  110 - HD2   PRO   93   6.63 +/- 3.85  52.405% * 83.0978% (0.71   2.88   5.67) =  88.105%  kept
          HN    PHE   45 - HD2   PRO   93   7.77 +/- 1.05  35.593% * 16.4051% (0.61   0.67   0.02) =  11.814%  kept
          HN    ASP-  44 - HD2   PRO   93  11.86 +/- 1.24   9.566% *  0.3941% (0.11   0.09   0.02) =   0.076%
          HN    GLU-  25 - HD2   PRO   93  22.75 +/- 3.12   2.436% *  0.1030% (0.13   0.02   0.02) =   0.005%
    Distance limit 4.37 A violated in 7 structures by 1.11 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.383, support = 0.898, residual support = 0.761:
          HA1   GLY  109 - HD2   PRO   93   7.53 +/- 2.77  45.445% * 88.3018% (0.38   0.92   0.78) =  97.308%  kept
          HA    CYS   50 - HD2   PRO   93   8.61 +/- 3.17  32.190% *  1.7717% (0.35   0.02   0.02) =   1.383%  kept
          HA    TRP   49 - HD2   PRO   93  11.27 +/- 2.37  17.003% *  2.5002% (0.50   0.02   0.02) =   1.031%  kept
          HA    CYS   21 - HD2   PRO   93  20.52 +/- 2.59   1.742% *  3.1572% (0.63   0.02   0.02) =   0.133%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.56 +/- 1.01   1.230% *  3.6317% (0.72   0.02   0.02) =   0.108%  kept
          HA    ALA   20 - HD2   PRO   93  19.54 +/- 2.42   2.390% *  0.6374% (0.13   0.02   0.02) =   0.037%
    Distance limit 4.32 A violated in 11 structures by 1.54 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.15, residual support = 5.29:
          QB    ALA  110 - HD2   PRO   93   6.29 +/- 3.74  38.476% * 82.0721% (0.69   2.29   5.67) =  93.235%  kept
          QB    ALA   61 - HD2   PRO   93  11.75 +/- 3.66  16.111% * 13.2311% (0.72   0.35   0.02) =   6.294%  kept
          HG    LEU   73 - HD2   PRO   93  17.64 +/- 3.51   8.190% *  0.4603% (0.44   0.02   0.02) =   0.111%  kept
          HG    LEU   80 - HD2   PRO   93  17.70 +/- 3.26   3.231% *  0.7324% (0.70   0.02   0.02) =   0.070%
          QG    LYS+  66 - HD2   PRO   93  16.84 +/- 3.05   3.802% *  0.6077% (0.58   0.02   0.02) =   0.068%
          HB3   LEU  115 - HD2   PRO   93  10.45 +/- 1.70  14.850% *  0.1329% (0.13   0.02   0.02) =   0.058%
          HB3   LEU   67 - HD2   PRO   93  18.33 +/- 2.91   1.779% *  0.7179% (0.69   0.02   0.02) =   0.038%
          HB2   LEU   80 - HD2   PRO   93  16.44 +/- 2.33   3.204% *  0.3694% (0.35   0.02   0.02) =   0.035%
          HB3   LYS+  74 - HD2   PRO   93  15.57 +/- 1.60   4.317% *  0.2342% (0.22   0.02   0.02) =   0.030%
          HG12  ILE   19 - HD2   PRO   93  22.03 +/- 2.48   1.453% *  0.6806% (0.65   0.02   0.02) =   0.029%
          HD3   LYS+ 121 - HD2   PRO   93  19.43 +/- 2.02   1.853% *  0.2589% (0.25   0.02   0.02) =   0.014%
          HG2   LYS+ 102 - HD2   PRO   93  24.20 +/- 1.39   1.036% *  0.3694% (0.35   0.02   0.02) =   0.011%
          HG    LEU   40 - HD2   PRO   93  19.73 +/- 2.21   1.699% *  0.1329% (0.13   0.02   0.02) =   0.007%
    Distance limit 3.90 A violated in 8 structures by 1.84 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.509, support = 1.65, residual support = 9.98:
          QB    ALA  110 - HD3   PRO   93   6.63 +/- 3.39  24.102% * 56.7679% (0.78   0.75   5.67) =  61.420%  kept
          HB3   LEU   67 - HD3   PRO   68   4.01 +/- 1.04  29.707% * 25.6044% (0.08   3.39  19.03) =  34.144%  kept
          QG    LYS+  66 - HD3   PRO   68   5.13 +/- 1.56  21.746% *  3.7045% (0.05   0.77   0.02) =   3.616%  kept
          QB    ALA   61 - HD3   PRO   93  11.56 +/- 3.57   9.490% *  1.1290% (0.58   0.02   0.02) =   0.481%  kept
          HG    LEU   80 - HD3   PRO   93  17.27 +/- 3.23   0.845% *  1.4577% (0.75   0.02   0.02) =   0.055%
          HB2   LEU   80 - HD3   PRO   93  16.00 +/- 2.34   0.706% *  1.6509% (0.85   0.02   0.02) =   0.052%
          HB3   LYS+  74 - HD3   PRO   93  15.30 +/- 1.65   0.576% *  1.3974% (0.72   0.02   0.02) =   0.036%
          HD3   LYS+ 121 - HD3   PRO   68  14.51 +/- 4.61   2.404% *  0.2594% (0.13   0.02   0.02) =   0.028%
          HB3   LEU   67 - HD3   PRO   93  18.27 +/- 3.11   0.518% *  0.8495% (0.44   0.02   0.02) =   0.020%
          QB    ALA   61 - HD3   PRO   68   9.99 +/- 1.22   1.983% *  0.2009% (0.10   0.02   0.02) =   0.018%
          HG12  ILE   19 - HD3   PRO   68  12.44 +/- 3.25   1.387% *  0.2867% (0.15   0.02   0.02) =   0.018%
          HD3   LYS+ 121 - HD3   PRO   93  19.68 +/- 1.82   0.268% *  1.4577% (0.75   0.02   0.02) =   0.018%
          QB    LEU   98 - HD3   PRO   93  17.13 +/- 0.84   0.391% *  0.9182% (0.47   0.02   0.02) =   0.016%
          QG    LYS+  66 - HD3   PRO   93  16.73 +/- 3.11   0.640% *  0.5386% (0.28   0.02   0.02) =   0.015%
          HG12  ILE   19 - HD3   PRO   93  22.02 +/- 2.72   0.210% *  1.6110% (0.83   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HD3   PRO   68  12.71 +/- 2.73   1.131% *  0.2487% (0.13   0.02   0.02) =   0.013%
          HG    LEU   73 - HD3   PRO   93  17.59 +/- 3.20   0.639% *  0.3056% (0.16   0.02   0.02) =   0.009%
          QB    LEU   98 - HD3   PRO   68  13.68 +/- 3.35   0.908% *  0.1634% (0.08   0.02   0.02) =   0.007%
          QB    ALA  110 - HD3   PRO   68  17.89 +/- 2.76   0.520% *  0.2694% (0.14   0.02   0.02) =   0.006%
          QB    ALA   12 - HD3   PRO   93  26.47 +/- 3.97   0.152% *  0.4852% (0.25   0.02   0.02) =   0.003%
          HB2   LEU   80 - HD3   PRO   68  21.25 +/- 3.60   0.215% *  0.2938% (0.15   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   68  16.33 +/- 3.47   0.679% *  0.0864% (0.04   0.02   0.02) =   0.003%
          HG    LEU   80 - HD3   PRO   68  21.78 +/- 3.92   0.203% *  0.2594% (0.13   0.02   0.02) =   0.002%
          HG    LEU   73 - HD3   PRO   68  14.35 +/- 2.13   0.582% *  0.0544% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.26:
          QG2   ILE   89 - HB    THR   94   6.00 +/- 2.69 100.000% *100.0000% (0.28   2.00   5.26) = 100.000%  kept
    Distance limit 3.42 A violated in 11 structures by 2.61 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.76, support = 1.91, residual support = 4.97:
          QD1   ILE   89 - HB    THR   94   5.94 +/- 2.20  65.811% * 86.3431% (0.77   2.00   5.26) =  94.573%  kept
          QG2   VAL   83 - HB    THR   94   8.98 +/- 2.56  24.116% * 13.4236% (0.57   0.42   0.02) =   5.388%  kept
          QD2   LEU   31 - HB    THR   94  13.33 +/- 2.28  10.072% *  0.2332% (0.21   0.02   0.02) =   0.039%
    Distance limit 3.77 A violated in 11 structures by 2.13 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.4:
        T HB2   PHE   45 - HB    THR   94   2.93 +/- 0.54  96.109% * 99.8423% (0.81 10.00   2.96  27.35) =  99.996%  kept
          QE    LYS+ 111 - HB    THR   94  11.60 +/- 2.23   2.729% *  0.1032% (0.83  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - HB    THR   94  15.74 +/- 3.31   1.162% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.01 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  13.20 +/- 2.47 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.06 A violated in 20 structures by 10.14 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.0:
      O   HN    THR   94 - HB    THR   94   2.66 +/- 0.21  97.232% * 99.8964% (0.83  10.0   3.08  24.96) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  12.25 +/- 1.71   1.680% *  0.0727% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB    THR   94  13.27 +/- 2.02   1.088% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.804, support = 3.37, residual support = 26.9:
          HN    PHE   45 - HB    THR   94   3.82 +/- 0.47  87.180% * 90.2149% (0.81   3.42  27.35) =  98.430%  kept
          HN    ALA  110 - HB    THR   94   8.88 +/- 2.03  12.820% *  9.7851% (0.67   0.45   0.02) =   1.570%  kept
    Distance limit 4.33 A violated in 0 structures by 0.00 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   5.08 +/- 0.52 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 9 structures by 1.49 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.33, residual support = 14.7:
          HN    PHE   95 - QG2   THR   94   2.35 +/- 0.37 100.000% *100.0000% (0.97   4.33  14.71) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.643, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.43 +/- 0.38  23.710% * 27.7167% (0.84   0.02   0.02) =  38.651%  kept
          HA    TRP   87 - HA    PHE   95  14.48 +/- 2.76  19.257% * 25.3593% (0.76   0.02   0.02) =  28.722%  kept
          HA    PHE   59 - HA    PHE   95  10.46 +/- 2.10  38.767% *  8.2742% (0.25   0.02   0.02) =  18.866%  kept
          HA    ASP-  86 - HA    PHE   95  17.48 +/- 2.78  10.283% * 12.4539% (0.38   0.02   0.02) =   7.532%  kept
          HA    GLU-  14 - HA    PHE   95  22.02 +/- 1.49   4.370% * 14.8769% (0.45   0.02   0.02) =   3.824%  kept
          HA    ALA   12 - HA    PHE   95  25.69 +/- 3.01   3.614% * 11.3190% (0.34   0.02   0.02) =   2.406%  kept
    Distance limit 3.62 A violated in 20 structures by 5.66 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.5:
          QD    PHE   95 - HA    PHE   95   2.80 +/- 0.51  97.594% * 99.8140% (0.87   3.44  73.46) =  99.995%  kept
          HN    ALA   47 - HA    PHE   95  10.69 +/- 0.79   2.406% *  0.1860% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.77 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 = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.03  99.000% * 99.9753% (0.80  10.0   3.99  11.98) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.13 +/- 1.38   1.000% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.32  73.46) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.45 +/- 0.14  99.128% * 99.9680% (0.87  10.0   3.00  73.46) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.38 +/- 1.15   0.872% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.52 +/- 0.22  99.011% * 99.9680% (0.87  10.0   3.31  73.46) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.08 +/- 1.20   0.989% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.62 +/- 0.14 100.000% *100.0000% (0.53  10.0   4.19  73.46) = 100.000%  kept
    Distance limit 3.92 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 = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.66 +/- 0.22 100.000% *100.0000% (0.53  10.0   3.86  73.46) = 100.000%  kept
    Distance limit 3.65 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 = 2.04, residual support = 43.7:
          QG2   VAL  107 - HB3   PHE   95   3.95 +/- 0.68  71.212% * 91.1417% (0.84   2.06  44.08) =  99.185%  kept
          HG13  ILE  103 - HB3   PHE   95   9.99 +/- 0.91   6.219% *  6.0341% (0.38   0.30   0.02) =   0.574%  kept
          HG2   LYS+ 121 - HB3   PHE   95  12.56 +/- 4.04   7.829% *  1.0393% (0.98   0.02   0.02) =   0.124%  kept
          HG13  ILE  119 - HB3   PHE   95   9.16 +/- 1.94   9.603% *  0.4359% (0.41   0.02   0.02) =   0.064%
          QB    ALA   20 - HB3   PHE   95  13.76 +/- 1.74   2.543% *  0.9509% (0.90   0.02   0.02) =   0.037%
          HB3   LEU   31 - HB3   PHE   95  15.43 +/- 3.06   2.594% *  0.3980% (0.38   0.02   0.02) =   0.016%
    Distance limit 4.04 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 1.38, residual support = 4.3:
          QD1   LEU   63 - HB3   PHE   95   5.83 +/- 2.82  39.405% * 36.7930% (0.57   1.66   2.33) =  48.738%  kept
          QD2   LEU  115 - HB3   PHE   95   6.34 +/- 1.66  28.580% * 42.9148% (0.90   1.22   7.67) =  41.231%  kept
          QD1   LEU   73 - HB3   PHE   95  10.12 +/- 3.13  18.177% * 15.3623% (0.57   0.69   0.02) =   9.387%  kept
          QG2   ILE   89 - HB3   PHE   95  11.19 +/- 2.46   4.385% *  2.8592% (0.15   0.47   0.02) =   0.421%  kept
          QD1   LEU  104 - HB3   PHE   95   9.83 +/- 1.20   4.085% *  0.7816% (1.00   0.02   0.02) =   0.107%  kept
          QD2   LEU   80 - HB3   PHE   95  14.66 +/- 3.39   2.598% *  0.7215% (0.92   0.02   0.02) =   0.063%
          QG1   VAL   83 - HB3   PHE   95  13.57 +/- 2.80   2.770% *  0.5676% (0.73   0.02   0.02) =   0.053%
    Distance limit 3.80 A violated in 1 structures by 0.37 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.635, support = 0.74, residual support = 1.11:
          QG1   VAL   42 - HB3   PHE   95   3.69 +/- 1.41  69.512% * 56.1369% (0.65   0.75   1.21) =  89.853%  kept
          QB    ALA   64 - HB3   PHE   95   8.53 +/- 1.11  10.182% * 41.3804% (0.53   0.68   0.11) =   9.702%  kept
          HG2   LYS+ 112 - HB3   PHE   95  10.70 +/- 2.11  15.734% *  0.7142% (0.31   0.02   3.48) =   0.259%  kept
          QB    ALA   47 - HB3   PHE   95  11.33 +/- 1.21   4.572% *  1.7685% (0.76   0.02   0.02) =   0.186%  kept
    Distance limit 3.82 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.99, residual support = 44.0:
          QG2   VAL  107 - HB2   PHE   95   2.86 +/- 0.68  85.803% * 94.8112% (0.34   4.00  44.08) =  99.848%  kept
          HG13  ILE  119 - HB2   PHE   95   9.84 +/- 2.06   4.004% *  1.2477% (0.90   0.02   0.02) =   0.061%
          HG2   LYS+ 121 - HB2   PHE   95  12.72 +/- 4.45   4.194% *  0.7877% (0.57   0.02   0.02) =   0.041%
          HB3   LEU   31 - HB2   PHE   95  16.45 +/- 3.10   1.120% *  1.2068% (0.87   0.02   0.02) =   0.017%
          QB    ALA   20 - HB2   PHE   95  14.95 +/- 1.66   1.009% *  1.2843% (0.92   0.02   0.02) =   0.016%
          HD3   LYS+ 112 - HB2   PHE   95  11.19 +/- 2.43   3.000% *  0.3868% (0.28   0.02   3.48) =   0.014%
          QG1   VAL   24 - HB2   PHE   95  16.07 +/- 2.97   0.870% *  0.2753% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 4.18, residual support = 44.0:
        T HB    VAL  107 - HB2   PHE   95   2.46 +/- 0.83  85.654% * 98.6391% (0.80 10.00   4.19  44.08) =  99.912%  kept
          HB3   PHE   45 - HB2   PHE   95   8.30 +/- 1.55   7.295% *  0.5167% (0.38  1.00   0.22   1.89) =   0.045%
          QE    LYS+ 112 - HB2   PHE   95   9.53 +/- 2.49   5.661% *  0.6240% (0.38  1.00   0.27   3.48) =   0.042%
          QG    GLU-  79 - HB2   PHE   95  16.54 +/- 1.85   0.553% *  0.0846% (0.69  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   PHE   95  20.12 +/- 2.31   0.361% *  0.1165% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.91 +/- 0.87   0.476% *  0.0190% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.92, support = 0.743, residual support = 5.21:
          QD1   ILE   89 - QG2   THR   94   5.61 +/- 2.26  61.118% * 97.3666% (0.92   0.75   5.26) =  99.065%  kept
          QG2   VAL   83 - QG2   THR   94   8.15 +/- 2.57  23.498% *  1.9321% (0.69   0.02   0.02) =   0.756%  kept
          QD2   LEU   31 - QG2   THR   94  10.96 +/- 2.02  15.384% *  0.7014% (0.25   0.02   0.02) =   0.180%  kept
    Distance limit 3.20 A violated in 11 structures by 2.28 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.13:
        T HA    LYS+ 106 - HA    MET   96   3.11 +/- 0.66 100.000% *100.0000% (0.97 10.00   1.07   2.13) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.5:
      O   HN    PHE   97 - HA    MET   96   2.26 +/- 0.06  98.655% * 99.8692% (0.88  10.0   6.07  44.53) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  11.22 +/- 1.56   0.965% *  0.0999% (0.88   1.0   0.02   0.14) =   0.001%
          HN    ASP- 113 - HA    MET   96  14.72 +/- 1.03   0.380% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 115.5:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.45) = 100.000%  kept
    Distance limit 3.84 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 = 1.86, residual support = 8.49:
        T QE    PHE   45 - HB2   MET   96   4.08 +/- 1.54  72.382% * 98.1955% (0.49 10.00   1.86   8.51) =  99.770%  kept
        T HZ    PHE   72 - HB2   MET   96   9.88 +/- 2.24   8.154% *  1.6557% (0.76 10.00   0.02   0.02) =   0.190%  kept
          QD    PHE   72 - HB2   MET   96   8.27 +/- 2.11  19.463% *  0.1488% (0.69  1.00   0.02   0.02) =   0.041%
    Distance limit 3.91 A violated in 1 structures by 0.28 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.5:
          HN    PHE   97 - HB2   MET   96   4.05 +/- 0.31  94.300% * 99.4517% (0.92   6.07  44.53) =  99.987%  kept
          HN    LEU  115 - HB2   MET   96  13.03 +/- 1.25   3.324% *  0.3276% (0.92   0.02   0.14) =   0.012%
          HN    ASN   35 - HB2   MET   96  16.03 +/- 2.24   1.888% *  0.0480% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   MET   96  26.22 +/- 3.98   0.488% *  0.1727% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.04, residual support = 115.5:
      O   HN    MET   96 - HB2   MET   96   2.70 +/- 0.27 100.000% *100.0000% (0.65  10.0   4.04 115.45) = 100.000%  kept
    Distance limit 3.82 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 = 0.798, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.55 +/- 2.27  40.068% * 81.6578% (0.99   0.02   0.02) =  74.852%  kept
          QD    PHE   72 - HB3   MET   96   8.97 +/- 1.98  59.932% * 18.3422% (0.22   0.02   0.02) =  25.148%  kept
    Distance limit 3.76 A violated in 20 structures by 4.51 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 = 115.5:
      O   HN    MET   96 - HB3   MET   96   2.74 +/- 0.32 100.000% *100.0000% (0.65  10.0   3.97 115.45) = 100.000%  kept
    Distance limit 3.75 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 = 0.728, support = 1.98, residual support = 16.0:
          QG1   VAL   43 - HB2   MET   96   2.71 +/- 0.85  79.627% * 72.0536% (0.73   2.00  16.27) =  98.567%  kept
          QG2   THR   46 - HB2   MET   96  10.12 +/- 0.84   2.895% * 24.7979% (0.98   0.51   0.02) =   1.233%  kept
          QG1   VAL   41 - HB2   MET   96   7.79 +/- 1.47   9.746% *  0.5221% (0.53   0.02   0.02) =   0.087%
          QD2   LEU  104 - HB2   MET   96   8.51 +/- 1.09   4.475% *  0.7945% (0.80   0.02   0.02) =   0.061%
          QD1   ILE   19 - HB2   MET   96  12.76 +/- 1.84   1.687% *  0.9160% (0.92   0.02   0.02) =   0.027%
          QG2   VAL   18 - HB2   MET   96  13.11 +/- 3.15   1.570% *  0.9160% (0.92   0.02   0.02) =   0.025%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.858, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96   9.43 +/- 3.08  36.475% * 36.4416% (0.92   0.02   0.02) =  39.911%  kept
          QG2   VAL   83 - HB2   MET   96  10.05 +/- 3.82  29.883% * 36.4416% (0.92   0.02   0.02) =  32.698%  kept
          QD1   ILE   89 - HB2   MET   96   9.28 +/- 3.20  33.642% * 27.1168% (0.69   0.02   0.02) =  27.392%  kept
    Distance limit 4.02 A violated in 16 structures by 3.09 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.675, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96   8.72 +/- 3.12  56.947% * 94.3530% (0.69 10.00   0.02   0.02) =  95.671%  kept
          QG2   VAL   83 - HB3   MET   96   9.86 +/- 3.66  43.053% *  5.6470% (0.41  1.00   0.02   0.02) =   4.329%  kept
    Distance limit 4.01 A violated in 15 structures by 3.98 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.5:
          HN    PHE   97 - HG2   MET   96   3.37 +/- 0.73  88.458% * 99.1282% (0.92   5.59  44.53) =  99.979%  kept
          HN    LEU  115 - HG2   MET   96  13.71 +/- 1.95   2.788% *  0.3545% (0.92   0.02   0.14) =   0.011%
          HN    LEU  115 - HB2   PRO   52  12.74 +/- 3.88   5.815% *  0.1041% (0.27   0.02   0.02) =   0.007%
          HN    PHE   97 - HB2   PRO   52  19.37 +/- 2.86   0.782% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  16.20 +/- 3.07   1.400% *  0.0520% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HG2   MET   96  27.48 +/- 4.22   0.280% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   PRO   52  33.79 +/- 7.64   0.286% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.55 +/- 3.18   0.190% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.99, residual support = 44.5:
          HN    PHE   97 - HG3   MET   96   3.13 +/- 0.62  97.241% * 99.5645% (0.54   5.99  44.53) =  99.993%  kept
          HN    LEU  115 - HG3   MET   96  13.54 +/- 1.53   1.922% *  0.3324% (0.54   0.02   0.14) =   0.007%
          HN    ASP- 113 - HG3   MET   96  16.96 +/- 1.09   0.837% *  0.1031% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.651, support = 1.73, residual support = 4.65:
          QG2   THR   94 - HG2   MET   96   5.47 +/- 1.02  21.721% * 66.4019% (0.99   1.31   3.17) =  54.103%  kept
          HG13  ILE  103 - HG2   MET   96   4.23 +/- 1.91  42.376% * 28.5580% (0.25   2.24   6.47) =  45.394%  kept
          HB3   LYS+ 112 - HB2   PRO   52  10.25 +/- 5.23  16.458% *  0.2941% (0.29   0.02   0.02) =   0.182%  kept
          HD2   LYS+ 112 - HB2   PRO   52  10.92 +/- 4.58  10.396% *  0.2603% (0.25   0.02   0.02) =   0.101%  kept
          QG2   THR   94 - HB2   PRO   52  11.79 +/- 2.70   2.114% *  1.2617% (0.29   0.08   0.02) =   0.100%  kept
          HB3   LEU   71 - HG2   MET   96  14.64 +/- 3.68   2.169% *  0.8179% (0.80   0.02   0.02) =   0.067%
          HB3   LYS+ 112 - HG2   MET   96  17.22 +/- 2.01   0.564% *  1.0012% (0.98   0.02   0.02) =   0.021%
          HD2   LYS+ 112 - HG2   MET   96  17.37 +/- 3.50   0.602% *  0.8860% (0.87   0.02   0.02) =   0.020%
          HG3   LYS+ 111 - HB2   PRO   52  12.54 +/- 6.06   2.430% *  0.0463% (0.05   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HG2   MET   96  16.38 +/- 1.89   0.708% *  0.1576% (0.15   0.02   0.02) =   0.004%
          HB3   LEU   71 - HB2   PRO   52  24.05 +/- 4.69   0.241% *  0.2403% (0.24   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB2   PRO   52  22.31 +/- 2.78   0.220% *  0.0748% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.847, support = 2.28, residual support = 6.2:
          QG2   ILE  103 - HG2   MET   96   4.56 +/- 1.07  27.545% * 63.8586% (1.00   2.67   6.47) =  67.189%  kept
          QD1   ILE  103 - HG2   MET   96   4.00 +/- 2.13  39.520% * 18.9316% (0.49   1.62   6.47) =  28.578%  kept
          QD2   LEU   40 - HG2   MET   96   8.53 +/- 2.28   7.053% * 14.8529% (0.95   0.65   0.02) =   4.001%  kept
          QD1   LEU   67 - HG2   MET   96  10.81 +/- 2.59   4.348% *  0.4628% (0.97   0.02   0.02) =   0.077%
          HB    VAL   75 - HG2   MET   96  10.20 +/- 1.77   7.502% *  0.1800% (0.38   0.02   0.02) =   0.052%
          QD2   LEU   71 - HG2   MET   96  12.28 +/- 2.95   3.534% *  0.2909% (0.61   0.02   0.02) =   0.039%
          HG3   LYS+  74 - HG2   MET   96  14.65 +/- 1.31   1.529% *  0.4754% (0.99   0.02   0.02) =   0.028%
          QG2   ILE  119 - HG2   MET   96  14.67 +/- 2.18   1.751% *  0.1480% (0.31   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HB2   PRO   52  17.05 +/- 3.84   1.273% *  0.1396% (0.29   0.02   0.02) =   0.007%
          QD1   LEU   67 - HB2   PRO   52  17.30 +/- 2.01   0.936% *  0.1360% (0.28   0.02   0.02) =   0.005%
          QG2   ILE  103 - HB2   PRO   52  18.74 +/- 2.54   0.666% *  0.1406% (0.29   0.02   0.02) =   0.004%
          QD2   LEU   40 - HB2   PRO   52  19.90 +/- 2.12   0.505% *  0.1333% (0.28   0.02   0.02) =   0.003%
          QG2   ILE  119 - HB2   PRO   52  14.78 +/- 1.72   1.534% *  0.0435% (0.09   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   PRO   52  16.67 +/- 2.22   1.101% *  0.0529% (0.11   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   PRO   52  20.10 +/- 3.62   0.670% *  0.0855% (0.18   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   PRO   52  18.93 +/- 2.91   0.533% *  0.0686% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 1 structures by 0.35 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.298, support = 0.545, residual support = 0.32:
          HG    LEU   98 - HG3   MET   96   6.40 +/- 1.88  20.116% * 25.3458% (0.25   0.72   0.20) =  62.727%  kept
          QB    LEU   98 - HG3   MET   96   4.95 +/- 0.88  26.361% *  4.5093% (0.14   0.24   0.20) =  14.625%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.95 +/- 1.77   2.009% * 38.7938% (0.59   0.47   0.02) =   9.588%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.17 +/- 1.89  36.929% *  1.7043% (0.61   0.02   2.13) =   7.743%  kept
          HB3   PRO   93 - HG3   MET   96  12.09 +/- 0.51   1.273% * 17.0257% (0.34   0.35   0.02) =   2.666%  kept
          HB    VAL   42 - HG3   MET   96   8.50 +/- 1.45   4.493% *  1.5319% (0.54   0.02   0.02) =   0.847%  kept
          HB3   ASP-  44 - HG3   MET   96  10.03 +/- 1.18   2.155% *  2.6301% (0.12   0.16   0.02) =   0.697%  kept
          HB3   LEU   73 - HG3   MET   96  12.35 +/- 3.33   3.263% *  1.6158% (0.57   0.02   0.02) =   0.649%  kept
          QB    ALA   84 - HG3   MET   96  13.55 +/- 2.98   1.541% *  0.8987% (0.32   0.02   0.02) =   0.170%  kept
          HG3   LYS+  33 - HG3   MET   96  17.78 +/- 2.56   0.508% *  1.4267% (0.51   0.02   0.02) =   0.089%
          HB2   LYS+ 112 - HG3   MET   96  17.02 +/- 1.75   0.408% *  1.6930% (0.60   0.02   0.02) =   0.085%
          HG3   LYS+  65 - HG3   MET   96  17.94 +/- 2.99   0.366% *  1.5319% (0.54   0.02   0.02) =   0.069%
          QB    ALA   12 - HG3   MET   96  22.68 +/- 3.22   0.251% *  0.7658% (0.27   0.02   0.02) =   0.024%
          QB    ALA  124 - HG3   MET   96  20.31 +/- 3.77   0.327% *  0.5272% (0.19   0.02   0.02) =   0.021%
    Distance limit 3.98 A violated in 0 structures by 0.03 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 = 0.396, support = 1.78, residual support = 4.66:
          QG2   THR   94 - HG3   MET   96   5.10 +/- 0.60  33.313% * 62.0391% (0.60  1.00   1.31   3.17) =  54.314%  kept
          HG13  ILE  103 - HG3   MET   96   3.96 +/- 1.63  62.088% * 27.8360% (0.15  1.00   2.34   6.47) =  45.419%  kept
        T HD2   LYS+ 112 - HG3   MET   96  17.24 +/- 3.11   0.943% *  8.2780% (0.53 10.00   0.02   0.02) =   0.205%  kept
          HB3   LEU   71 - HG3   MET   96  15.35 +/- 3.29   1.904% *  0.7642% (0.49  1.00   0.02   0.02) =   0.038%
          HB3   LYS+ 112 - HG3   MET   96  17.10 +/- 1.54   0.792% *  0.9354% (0.59  1.00   0.02   0.02) =   0.019%
          HG3   LYS+ 111 - HG3   MET   96  15.95 +/- 1.66   0.960% *  0.1472% (0.09  1.00   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.522, support = 2.41, residual support = 6.32:
          QG2   ILE  103 - HG3   MET   96   4.07 +/- 0.96  36.379% * 65.6347% (0.61   2.72   6.47) =  71.195%  kept
          QD1   ILE  103 - HG3   MET   96   3.81 +/- 1.99  43.061% * 20.5844% (0.30   1.75   6.47) =  26.430%  kept
          QD2   LEU   40 - HG3   MET   96   8.90 +/- 2.13   6.167% * 12.2109% (0.57   0.53   0.02) =   2.245%  kept
          QD1   LEU   67 - HG3   MET   96  11.22 +/- 2.55   4.203% *  0.4667% (0.59   0.02   0.02) =   0.058%
          HB    VAL   75 - HG3   MET   96  10.58 +/- 1.68   5.114% *  0.1815% (0.23   0.02   0.02) =   0.028%
          QD2   LEU   71 - HG3   MET   96  12.82 +/- 2.74   2.244% *  0.2933% (0.37   0.02   0.02) =   0.020%
          HG3   LYS+  74 - HG3   MET   96  15.05 +/- 1.24   1.170% *  0.4793% (0.60   0.02   0.02) =   0.017%
          QG2   ILE  119 - HG3   MET   96  14.81 +/- 2.19   1.662% *  0.1493% (0.19   0.02   0.02) =   0.007%
    Distance limit 3.91 A violated in 1 structures by 0.19 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   2.22 +/- 0.05 100.000% *100.0000% (0.80  10.0   3.36  10.68) = 100.000%  kept
    Distance limit 2.82 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 = 4.71, residual support = 62.3:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  98.000% * 99.8692% (0.90  10.0   4.71  62.32) =  99.998%  kept
          HN    LEU  115 - HA    PHE   97  12.56 +/- 1.50   1.407% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  16.33 +/- 1.08   0.592% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.47 +/- 0.18  98.528% * 99.9164% (0.45  10.0 10.00   2.44  62.32) =  99.999%  kept
          HZ3   TRP   87 - HB2   PHE   97  14.90 +/- 6.11   1.472% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 7.66, residual support = 59.5:
          HN    ASP- 105 - HB2   PHE   97   2.27 +/- 0.40  99.784% * 99.8965% (0.95   7.66  59.55) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  20.21 +/- 3.98   0.216% *  0.1035% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 4.82, residual support = 62.3:
      O   HN    PHE   97 - HB2   PHE   97   2.93 +/- 0.55  97.539% * 99.8692% (0.90  10.0   4.82  62.32) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  12.28 +/- 1.75   1.720% *  0.0999% (0.90   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB2   PHE   97  15.87 +/- 1.42   0.741% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.964, support = 3.5, residual support = 53.2:
        T HB3   ASP- 105 - HB2   PHE   97   3.31 +/- 0.52  58.673% * 53.5880% (0.99 10.00   3.72  59.55) =  87.170%  kept
        T QB    LYS+ 106 - HB2   PHE   97   6.18 +/- 0.72   9.843% * 43.2930% (0.80 10.00   2.01  10.66) =  11.814%  kept
          HG12  ILE  103 - HB2   PHE   97   5.48 +/- 0.72  16.670% *  1.3023% (0.20  1.00   2.43   2.32) =   0.602%  kept
          HB    ILE  103 - HB2   PHE   97   6.74 +/- 0.70   9.938% *  1.4857% (1.00  1.00   0.55   2.32) =   0.409%  kept
          HG3   PRO   68 - HB2   PHE   97  15.53 +/- 3.86   0.910% *  0.0539% (1.00  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   PHE   97  16.22 +/- 1.78   0.805% *  0.0511% (0.95  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  16.23 +/- 4.61   0.783% *  0.0222% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.69 +/- 2.29   0.256% *  0.0539% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  21.52 +/- 2.55   0.273% *  0.0452% (0.84  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  16.43 +/- 2.51   0.584% *  0.0203% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  21.77 +/- 1.63   0.238% *  0.0485% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.46 +/- 2.07   0.796% *  0.0135% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  21.53 +/- 2.26   0.232% *  0.0222% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.305, support = 4.54, residual support = 15.2:
        T HB2   LEU  104 - HB2   PHE   97   3.04 +/- 0.93  48.009% * 80.2258% (0.31 10.00   4.69  16.71) =  89.774%  kept
          QG2   ILE  103 - HB2   PHE   97   4.01 +/- 0.81  28.453% * 11.9729% (0.25  1.00   3.69   2.32) =   7.940%  kept
          QD2   LEU   40 - HB2   PHE   97   6.23 +/- 2.41  13.446% *  7.2121% (0.38  1.00   1.48   1.37) =   2.260%  kept
          QD1   ILE  119 - HB2   PHE   97  11.66 +/- 2.65   2.671% *  0.1577% (0.61  1.00   0.02   0.91) =   0.010%
          QD1   LEU   67 - HB2   PHE   97  10.39 +/- 3.65   3.510% *  0.0887% (0.34  1.00   0.02   0.02) =   0.007%
          HB    VAL   75 - HB2   PHE   97  13.19 +/- 1.56   0.856% *  0.2459% (0.95  1.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - HB2   PHE   97   9.01 +/- 0.72   2.688% *  0.0514% (0.20  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HB2   PHE   97  16.45 +/- 1.96   0.367% *  0.0455% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.315, support = 2.1, residual support = 7.58:
        T QD2   LEU   40 - HB3   PHE   97   6.27 +/- 2.47  12.812% * 73.6186% (0.36 10.00   1.16   1.37) =  48.173%  kept
          HB2   LEU  104 - HB3   PHE   97   3.47 +/- 1.00  45.605% * 17.0613% (0.29  1.00   3.27  16.71) =  39.741%  kept
          QG2   ILE  103 - HB3   PHE   97   4.25 +/- 0.60  27.428% *  8.5547% (0.24  1.00   2.03   2.32) =  11.984%  kept
          QD1   ILE  119 - HB3   PHE   97  11.36 +/- 2.68   4.078% *  0.2048% (0.57  1.00   0.02   0.91) =   0.043%
          QD1   LEU   67 - HB3   PHE   97  10.17 +/- 3.41   4.808% *  0.1152% (0.32  1.00   0.02   0.02) =   0.028%
          HB    VAL   75 - HB3   PHE   97  12.87 +/- 1.41   1.084% *  0.3194% (0.89  1.00   0.02   0.02) =   0.018%
          QG2   VAL  108 - HB3   PHE   97   8.74 +/- 0.74   3.468% *  0.0668% (0.19  1.00   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HB3   PHE   97  16.06 +/- 2.36   0.719% *  0.0591% (0.17  1.00   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.08 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   2.48 +/- 0.14  98.177% * 99.8821% (0.87  10.0 10.00   2.74  62.32) =  99.998%  kept
          HZ3   TRP   87 - HB3   PHE   97  14.77 +/- 5.92   1.578% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HB3   PHE   97  22.63 +/- 3.60   0.245% *  0.0241% (0.21   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 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.62, residual support = 59.5:
          HN    ASP- 105 - HB3   PHE   97   2.49 +/- 0.55  99.280% * 99.0991% (0.46   5.62  59.55) =  99.997%  kept
          HN    ALA   88 - HB3   PHE   97  20.01 +/- 3.74   0.329% *  0.6288% (0.82   0.02   0.02) =   0.002%
          HN    PHE   55 - HB3   PHE   97  19.39 +/- 1.99   0.391% *  0.2721% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.91 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 = 5.17, residual support = 62.3:
      O   HN    PHE   97 - HB3   PHE   97   2.78 +/- 0.55  97.409% * 99.8692% (0.85  10.0   5.17  62.32) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  11.81 +/- 1.77   1.817% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  15.41 +/- 1.39   0.774% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.732, support = 2.12, residual support = 55.1:
          HB3   ASP- 105 - HB3   PHE   97   3.36 +/- 0.28  70.321% * 59.6108% (0.72  1.00   2.26  59.55) =  91.452%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.01 +/- 0.73  13.773% * 18.7955% (0.93  1.00   0.56  10.66) =   5.647%  kept
          HB    ILE  103 - HB3   PHE   97   7.06 +/- 0.60   8.305% * 15.4810% (0.65  1.00   0.65   2.32) =   2.805%  kept
        T HB3   PRO   58 - HB3   PHE   97  17.93 +/- 2.90   0.681% *  1.5377% (0.21 10.00   0.02   0.02) =   0.023%
          HG3   PRO   68 - HB3   PHE   97  15.25 +/- 3.63   1.376% *  0.4468% (0.61  1.00   0.02   0.02) =   0.013%
          HB3   LYS+  38 - HB3   PHE   97  15.51 +/- 2.12   1.148% *  0.5016% (0.69  1.00   0.02   0.02) =   0.013%
          HB    ILE   56 - HB3   PHE   97  15.98 +/- 2.39   0.839% *  0.5991% (0.82  1.00   0.02   0.02) =   0.011%
          HB3   GLN   30 - HB3   PHE   97  15.20 +/- 2.90   1.259% *  0.3634% (0.50  1.00   0.02   0.02) =   0.010%
          QB    LYS+  33 - HB3   PHE   97  16.31 +/- 1.61   0.710% *  0.5991% (0.82  1.00   0.02   0.02) =   0.009%
          QB    LYS+  81 - HB3   PHE   97  21.35 +/- 2.54   0.322% *  0.6666% (0.91  1.00   0.02   0.02) =   0.005%
          HB3   GLN   90 - HB3   PHE   97  21.44 +/- 1.59   0.291% *  0.6376% (0.87  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HB3   PHE   97  21.22 +/- 2.58   0.357% *  0.5016% (0.69  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HB3   PHE   97  16.74 +/- 1.03   0.619% *  0.2592% (0.36  1.00   0.02   0.02) =   0.003%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.324, support = 4.08, residual support = 28.0:
          HG12  ILE  103 - HA    LEU   98   3.67 +/- 1.14  55.056% * 54.4337% (0.25   4.92  31.09) =  78.750%  kept
          HB    VAL   41 - HA    LEU   98   7.02 +/- 2.31  22.118% * 22.5123% (0.38   1.35  25.77) =  13.084%  kept
          QB    LYS+ 102 - HA    LEU   98   5.62 +/- 0.50  15.647% * 19.4971% (0.98   0.45   1.60) =   8.017%  kept
          HB2   LEU   71 - HA    LEU   98  13.28 +/- 4.05   3.696% *  0.8860% (1.00   0.02   0.02) =   0.086%
          QB    LYS+  65 - HA    LEU   98  16.03 +/- 3.61   1.443% *  0.8880% (1.00   0.02   0.02) =   0.034%
          QB    LYS+  66 - HA    LEU   98  15.37 +/- 4.19   1.274% *  0.5027% (0.57   0.02   0.02) =   0.017%
          HG2   PRO   93 - HA    LEU   98  18.71 +/- 0.50   0.397% *  0.7417% (0.84   0.02   0.02) =   0.008%
          HB3   GLN   17 - HA    LEU   98  20.10 +/- 2.71   0.369% *  0.5386% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.701, support = 2.9, residual support = 29.9:
          HA    ILE  103 - HA    LEU   98   2.14 +/- 1.26  77.770% * 76.2045% (0.73   2.96  31.09) =  94.384%  kept
          HA    LEU  104 - HA    LEU   98   4.70 +/- 0.38  18.257% * 19.2212% (0.28   1.95  10.15) =   5.589%  kept
          HA    ASP-  44 - HA    LEU   98  11.87 +/- 1.11   1.219% *  0.6365% (0.90   0.02   0.02) =   0.012%
          HA    THR   39 - HA    LEU   98  11.33 +/- 2.98   1.405% *  0.1973% (0.28   0.02   0.02) =   0.004%
          HA    ASP-  86 - HA    LEU   98  20.50 +/- 6.36   0.297% *  0.5154% (0.73   0.02   0.02) =   0.002%
          HB    THR   77 - HA    LEU   98  18.16 +/- 2.08   0.258% *  0.5929% (0.84   0.02   0.02) =   0.002%
          HA    SER   85 - HA    LEU   98  22.25 +/- 4.78   0.193% *  0.5929% (0.84   0.02   0.02) =   0.002%
          HA    GLU-  14 - HA    LEU   98  22.40 +/- 2.95   0.173% *  0.4592% (0.65   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  25.59 +/- 3.81   0.088% *  0.5424% (0.76   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  28.12 +/- 4.57   0.070% *  0.6552% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HA    LEU   98  21.08 +/- 3.09   0.182% *  0.2421% (0.34   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  26.03 +/- 2.23   0.088% *  0.1405% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.1, residual support = 6.08:
          HN    ASP- 105 - HA    LEU   98   4.59 +/- 0.46  97.966% * 99.8070% (0.95   4.10   6.08) =  99.996%  kept
          HN    ALA   88 - HA    LEU   98  20.21 +/- 4.92   2.034% *  0.1930% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.05 A violated in 0 structures by 0.58 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 17.7:
      O   HN    LYS+  99 - HA    LEU   98   2.30 +/- 0.08  95.413% * 99.7964% (0.80  10.0   4.26  17.72) =  99.996%  kept
          HE1   HIS  122 - HA    LEU   98  14.19 +/- 7.55   3.760% *  0.0905% (0.73   1.0   0.02   0.02) =   0.004%
          HN    ASN   35 - HA    LEU   98  13.47 +/- 2.88   0.702% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.14 +/- 3.21   0.126% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 3.73, residual support = 10.1:
          HN    LEU  104 - HA    LEU   98   2.74 +/- 0.99  96.701% * 99.6492% (0.92   3.73  10.15) =  99.988%  kept
          HN    PHE   72 - HA    LEU   98  12.91 +/- 2.52   3.299% *  0.3508% (0.61   0.02   0.02) =   0.012%
    Distance limit 3.50 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.03, residual support = 76.5:
      O   HN    LEU   98 - HA    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.03  76.52) = 100.000%  kept
    Distance limit 3.70 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 = 0.466, support = 3.55, residual support = 27.4:
        T HB    VAL   41 - QB    LEU   98   4.99 +/- 2.53  32.420% * 69.3099% (0.42 10.00   3.45  25.77) =  68.428%  kept
          HG12  ILE  103 - QB    LEU   98   2.72 +/- 1.31  53.266% * 18.1797% (0.56  1.00   3.95  31.09) =  29.489%  kept
          HB    ILE  103 - QB    LEU   98   4.27 +/- 0.50   8.641% *  7.0971% (0.60  1.00   1.45  31.09) =   1.868%  kept
          HB3   ASP- 105 - QB    LEU   98   7.88 +/- 0.37   1.543% *  2.3571% (0.53  1.00   0.55   6.08) =   0.111%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.58 +/- 0.86   1.636% *  1.7611% (0.27 10.00   0.08   0.02) =   0.088%
        T QB    LYS+  33 - QB    LEU   98  11.95 +/- 2.26   0.596% *  0.6931% (0.42 10.00   0.02   0.02) =   0.013%
          HG3   PRO   68 - QB    LEU   98  14.54 +/- 3.89   0.453% *  0.1034% (0.63  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  13.46 +/- 3.77   0.780% *  0.0439% (0.27  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  18.42 +/- 3.81   0.175% *  0.1277% (0.78  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QB    LEU   98  17.65 +/- 3.49   0.207% *  0.0486% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.62 +/- 1.86   0.071% *  0.1277% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  19.40 +/- 2.46   0.137% *  0.0585% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  21.60 +/- 2.43   0.075% *  0.0921% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 3.88, residual support = 17.7:
          HN    LYS+  99 - QB    LEU   98   3.21 +/- 0.37  89.497% * 97.3772% (0.27   3.88  17.72) =  99.903%  kept
          HN    ASN   35 - QB    LEU   98  11.13 +/- 3.06   4.413% *  1.3572% (0.72   0.02   0.02) =   0.069%
          HE1   HIS  122 - QB    LEU   98  13.20 +/- 6.20   5.124% *  0.4052% (0.22   0.02   0.02) =   0.024%
          HN    ALA   12 - QB    LEU   98  22.68 +/- 3.74   0.418% *  0.6098% (0.33   0.02   0.02) =   0.003%
          HN    GLU-  14 - QB    LEU   98  18.92 +/- 2.69   0.547% *  0.2507% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 3.19, residual support = 25.8:
          HN    VAL   41 - QB    LEU   98   5.18 +/- 2.88 100.000% *100.0000% (0.85   3.19  25.77) = 100.000%  kept
    Distance limit 4.11 A violated in 5 structures by 1.35 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.85, residual support = 76.5:
      O   HN    LEU   98 - QB    LEU   98   2.78 +/- 0.32 100.000% *100.0000% (0.85  10.0   4.85  76.52) = 100.000%  kept
    Distance limit 3.41 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 = 76.5:
      O   HA    LEU   98 - HG    LEU   98   3.42 +/- 0.47 100.000% *100.0000% (0.69  10.0   4.04  76.52) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.73, residual support = 76.5:
          HN    LEU   98 - HG    LEU   98   3.53 +/- 0.83 100.000% *100.0000% (0.98   3.73  76.52) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.435, support = 3.41, residual support = 23.5:
        T HA    ILE  103 - QD1   LEU   98   2.95 +/- 0.50  75.146% * 25.1649% (0.25 10.00   4.28  31.09) =  64.098%  kept
        T HA    LEU  104 - QD1   LEU   98   6.09 +/- 0.78  14.603% * 72.1121% (0.76 10.00   1.87  10.15) =  35.693%  kept
          HA    ASP-  86 - QD1   LEU   98  15.48 +/- 5.86   2.450% *  2.3666% (1.00  1.00   0.47   0.02) =   0.197%  kept
          HA    ASP-  44 - QD1   LEU   98   9.40 +/- 2.03   4.174% *  0.0415% (0.41  1.00   0.02   0.02) =   0.006%
          HB    THR   77 - QD1   LEU   98  13.80 +/- 2.60   1.461% *  0.0344% (0.34  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - QD1   LEU   98  18.81 +/- 2.60   0.437% *  0.1007% (1.00  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU   98  21.25 +/- 3.56   0.414% *  0.1000% (0.99  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   LEU   98  17.00 +/- 4.76   0.998% *  0.0344% (0.34  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   LEU   98  23.36 +/- 4.16   0.319% *  0.0452% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.73, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.73 +/- 3.47  29.472% * 33.8723% (0.84   0.02   0.02) =  37.097%  kept
          QD    PHE   59 - QD1   LEU   98  12.50 +/- 2.52  28.856% * 33.8723% (0.84   0.02   0.02) =  36.322%  kept
          HE21  GLN   30 - QD1   LEU   98  12.00 +/- 2.72  26.824% * 19.7390% (0.49   0.02   0.02) =  19.676%  kept
          HH2   TRP   49 - QD1   LEU   98  18.79 +/- 4.60  14.847% * 12.5164% (0.31   0.02   0.02) =   6.906%  kept
    Distance limit 3.67 A violated in 20 structures by 5.21 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.26, residual support = 18.7:
        T QD1   LEU  104 - HB2   LYS+  99   2.57 +/- 0.49  94.197% * 98.4796% (0.69 10.00   3.26  18.67) =  99.987%  kept
        T QD1   LEU   63 - HB2   LYS+  99  12.24 +/- 3.04   1.713% *  0.2212% (0.15 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   73 - HB2   LYS+  99  13.07 +/- 1.88   1.476% *  0.2212% (0.15 10.00   0.02   0.02) =   0.004%
        T QG2   ILE   89 - HB2   LYS+  99  18.65 +/- 3.22   0.389% *  0.8117% (0.57 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB2   LYS+  99  17.32 +/- 4.99   0.791% *  0.1430% (1.00  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   LYS+  99  14.83 +/- 1.90   0.870% *  0.0589% (0.41  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LYS+  99  18.50 +/- 4.77   0.563% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 2.31, residual support = 9.42:
        T QD2   LEU   40 - HB2   LYS+  99   4.91 +/- 3.58  48.247% * 91.5757% (0.95 10.00   2.35   9.75) =  96.412%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.84 +/- 0.89  21.330% *  6.4975% (1.00  1.00   1.35   0.50) =   3.024%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.65 +/- 0.99  15.400% *  1.6125% (0.49  1.00   0.68   0.50) =   0.542%  kept
          QD1   LEU   67 - HB2   LYS+  99  11.29 +/- 3.72   4.377% *  0.0934% (0.97  1.00   0.02   0.02) =   0.009%
          QD2   LEU   71 - HB2   LYS+  99  11.29 +/- 3.35   6.817% *  0.0587% (0.61  1.00   0.02   0.02) =   0.009%
          HG3   LYS+  74 - HB2   LYS+  99  18.84 +/- 2.61   0.888% *  0.0960% (0.99  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HB2   LYS+  99  14.94 +/- 3.65   2.035% *  0.0299% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  99  16.01 +/- 1.49   0.907% *  0.0363% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.79, residual support = 174.4:
      O   HN    LYS+  99 - HB2   LYS+  99   3.17 +/- 0.29  81.319% * 99.4797% (0.31  10.0   4.79 174.46) =  99.977%  kept
          HE1   HIS  122 - HB2   LYS+  99  14.10 +/- 7.85  15.824% *  0.0804% (0.25   1.0   0.02   0.02) =   0.016%
          HN    ASN   35 - HB2   LYS+  99  12.48 +/- 2.39   2.119% *  0.2692% (0.84   1.0   0.02   0.02) =   0.007%
          HN    ALA   12 - HB2   LYS+  99  25.41 +/- 4.93   0.272% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.08 +/- 4.19   0.465% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 174.4:
      O   HN    LYS+  99 - HA    LYS+  99   2.92 +/- 0.02  91.008% * 99.7964% (0.80  10.0   5.23 174.46) =  99.993%  kept
          HE1   HIS  122 - HA    LYS+  99  14.57 +/- 7.41   5.483% *  0.0905% (0.73   1.0   0.02   0.02) =   0.005%
          HN    ASN   35 - HA    LYS+  99  10.83 +/- 2.79   3.134% *  0.0425% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    LYS+  99  19.87 +/- 3.92   0.375% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.8:
      O   HN    GLU- 100 - HA    LYS+  99   2.23 +/- 0.06 100.000% *100.0000% (0.84  10.0   6.83  39.76) = 100.000%  kept
    Distance limit 3.04 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 = 0.831, support = 5.19, residual support = 184.6:
      O   QE    LYS+  99 - HG2   LYS+  99   2.64 +/- 0.47  43.163% * 79.1619% (0.99  10.0   5.36 174.46) =  78.155%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.57 +/- 0.43  46.362% * 20.5905% (0.26  10.0   4.58 221.17) =  21.835%  kept
          QE    LYS+  38 - HG2   LYS+  99   9.48 +/- 4.04   2.505% *  0.0756% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HG2   LYS+  99   9.37 +/- 1.45   1.258% *  0.0610% (0.76   1.0   0.02   1.29) =   0.002%
          QE    LYS+  99 - HG2   LYS+  38   9.33 +/- 3.89   2.819% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   8.89 +/- 0.99   1.274% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  16.47 +/- 3.36   1.143% *  0.0300% (0.38   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  38  14.94 +/- 5.45   1.092% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.33 +/- 1.67   0.207% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  16.94 +/- 1.42   0.179% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 173.8:
      O T HA    LYS+  99 - HG2   LYS+  99   2.88 +/- 0.47  48.342% * 98.1498% (0.84  10.0 10.00   7.07 174.46) =  99.629%  kept
          HA    LEU   40 - HG2   LYS+  99   6.58 +/- 4.48  18.133% *  0.8831% (0.57   1.0  1.00   0.27   9.75) =   0.336%  kept
          HA    ASN   35 - HG2   LYS+  38   4.61 +/- 1.46  22.479% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.014%
        T HA    LYS+  99 - HG2   LYS+  38  10.59 +/- 3.93   1.783% *  0.2675% (0.23   1.0 10.00   0.02   0.02) =   0.010%
          HA    ASN   35 - HG2   LYS+  99  10.31 +/- 3.49   2.755% *  0.1112% (0.95   1.0  1.00   0.02   0.02) =   0.006%
          HA    LEU   40 - HG2   LYS+  38   7.97 +/- 0.55   3.415% *  0.0181% (0.15   1.0  1.00   0.02   0.72) =   0.001%
          HA    LEU  123 - HG2   LYS+  99  19.15 +/- 7.64   0.439% *  0.1172% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   LYS+  99  18.33 +/- 3.75   0.264% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.56 +/- 2.60   0.096% *  0.1134% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.81 +/- 4.72   0.240% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  20.87 +/- 5.97   0.288% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  15.45 +/- 4.15   0.718% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.03 +/- 1.89   0.123% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.58 +/- 3.30   0.139% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.10 +/- 4.43   0.345% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  27.07 +/- 4.43   0.231% *  0.0156% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.60 +/- 3.20   0.090% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  24.33 +/- 3.36   0.121% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.101, support = 4.84, residual support = 18.4:
          HA    SER   37 - HA    LYS+  38   5.21 +/- 0.05  30.673% * 42.9145% (0.05  1.00   5.53  21.07) =  86.911%  kept
          HA    LEU   40 - HA    LYS+  38   6.22 +/- 0.35  18.743% *  4.4882% (0.05  1.00   0.55   0.72) =   5.554%  kept
          HA    LEU   40 - HA    GLU- 100   7.74 +/- 4.69  23.514% *  2.6919% (0.80  1.00   0.02   0.02) =   4.179%  kept
          HA    SER   37 - HA    GLU- 100  10.81 +/- 5.03  10.353% *  2.5692% (0.76  1.00   0.02   0.02) =   1.756%  kept
        T HA    PRO   58 - HA    GLU- 100  24.51 +/- 3.02   0.331% * 31.0329% (0.92 10.00   0.02   0.02) =   0.678%  kept
          HA    SER   13 - HA    GLU- 100  21.48 +/- 5.30   1.007% *  3.1801% (0.95  1.00   0.02   0.02) =   0.211%  kept
          HA    GLU-  15 - HA    GLU- 100  18.60 +/- 4.33   0.912% *  3.1801% (0.95  1.00   0.02   0.02) =   0.192%  kept
          HA    VAL   42 - HA    GLU- 100  11.56 +/- 2.25   3.206% *  0.7484% (0.22  1.00   0.02   0.02) =   0.158%  kept
          HA    GLN   17 - HA    GLU- 100  19.95 +/- 4.01   0.671% *  2.5692% (0.76  1.00   0.02   0.02) =   0.114%  kept
        T HA    PRO   58 - HA    LYS+  38  22.89 +/- 3.70   0.608% *  1.8752% (0.06 10.00   0.02   0.02) =   0.075%
          HA    THR   46 - HA    GLU- 100  23.28 +/- 1.47   0.349% *  2.8080% (0.84  1.00   0.02   0.02) =   0.065%
          HA    LEU  123 - HA    GLU- 100  22.54 +/- 7.02   0.718% *  0.6653% (0.20  1.00   0.02   0.02) =   0.032%
          HA    GLU-  15 - HA    LYS+  38  14.72 +/- 3.72   1.871% *  0.1922% (0.06  1.00   0.02   0.02) =   0.024%
          HA    SER   13 - HA    LYS+  38  17.54 +/- 3.99   1.166% *  0.1922% (0.06  1.00   0.02   0.02) =   0.015%
          HA    GLN   17 - HA    LYS+  38  16.79 +/- 3.27   1.296% *  0.1552% (0.05  1.00   0.02   0.02) =   0.013%
          HA    ILE   56 - HA    GLU- 100  26.74 +/- 2.18   0.241% *  0.4550% (0.14  1.00   0.02   0.02) =   0.007%
          HA    VAL   42 - HA    LYS+  38  12.44 +/- 0.53   2.261% *  0.0452% (0.01  1.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HA    LYS+  38  20.28 +/- 5.90   1.445% *  0.0402% (0.01  1.00   0.02   0.02) =   0.004%
          HA    THR   46 - HA    LYS+  38  24.15 +/- 1.51   0.323% *  0.1697% (0.05  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HA    LYS+  38  26.01 +/- 3.39   0.312% *  0.0275% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 3.85, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.21 +/- 0.51  88.258% * 99.9940% (1.00  10.0   3.85  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38   9.91 +/- 4.98  11.742% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.38, residual support = 75.6:
      O   HN    GLU- 100 - HA    GLU- 100   2.31 +/- 0.14  81.665% * 99.9940% (0.84  10.0   6.38  75.63) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   7.77 +/- 4.79  18.335% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 3.02 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 = 0.837, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  13.04 +/- 3.58  11.428% * 28.3278% (1.00 10.00   0.02   0.02) =  35.237%  kept
        T HA    GLU-  29 - HB2   GLU- 100  15.97 +/- 3.66  10.589% * 27.8286% (0.98 10.00   0.02   0.02) =  32.075%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.38 +/- 3.82  18.202% *  8.7627% (0.31 10.00   0.02   0.02) =  17.361%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.55 +/- 2.24   2.484% * 23.7140% (0.84 10.00   0.02   0.02) =   6.412%  kept
          HA    VAL   70 - HB2   GLU- 100  13.57 +/- 5.40  14.653% *  2.3714% (0.84  1.00   0.02   0.02) =   3.782%  kept
          HB2   SER   37 - HB2   GLU- 100  10.36 +/- 5.11  27.195% *  0.5618% (0.20  1.00   0.02   0.02) =   1.663%  kept
          HB2   SER   82 - HB2   GLU- 100  26.23 +/- 6.78   5.647% *  2.6208% (0.92  1.00   0.02   0.02) =   1.611%  kept
          HA    VAL   18 - HB2   GLU- 100  18.68 +/- 3.34   4.038% *  2.7399% (0.97  1.00   0.02   0.02) =   1.204%  kept
          HA    SER   48 - HB2   GLU- 100  28.82 +/- 1.97   1.686% *  1.6074% (0.57  1.00   0.02   0.02) =   0.295%  kept
          HA    ALA   88 - HB2   GLU- 100  27.39 +/- 4.97   2.712% *  0.9684% (0.34  1.00   0.02   0.02) =   0.286%  kept
          HD2   PRO   52 - HB2   GLU- 100  30.47 +/- 2.40   1.366% *  0.4972% (0.18  1.00   0.02   0.02) =   0.074%
    Distance limit 3.50 A violated in 18 structures by 4.42 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.26, residual support = 39.7:
          HG2   LYS+  99 - HG2   GLU- 100   3.16 +/- 1.09  69.937% * 97.4929% (0.45   5.27  39.76) =  99.805%  kept
          HG2   LYS+  38 - HG2   GLU- 100   8.82 +/- 5.41  26.504% *  0.4671% (0.57   0.02   0.02) =   0.181%  kept
          QG2   THR   77 - HG2   GLU- 100  19.12 +/- 1.84   0.423% *  0.8087% (0.98   0.02   0.02) =   0.005%
          HB2   LEU   31 - HG2   GLU- 100  13.08 +/- 3.06   1.895% *  0.1445% (0.18   0.02   0.02) =   0.004%
          QB    ALA   88 - HG2   GLU- 100  23.52 +/- 3.88   0.242% *  0.7399% (0.90   0.02   0.02) =   0.003%
          QG2   THR   23 - HG2   GLU- 100  19.02 +/- 3.35   0.843% *  0.1633% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG2   GLU- 100  26.10 +/- 3.21   0.156% *  0.1837% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 4.09, residual support = 39.7:
          HG2   LYS+  99 - HG3   GLU- 100   3.02 +/- 1.15  72.661% * 96.7991% (0.45   4.10  39.76) =  99.780%  kept
          HG2   LYS+  38 - HG3   GLU- 100   8.85 +/- 5.42  24.405% *  0.5963% (0.57   0.02   0.02) =   0.206%  kept
          HB2   LEU   31 - HG3   GLU- 100  13.15 +/- 2.98   1.780% *  0.1845% (0.18   0.02   0.02) =   0.005%
          QG2   THR   77 - HG3   GLU- 100  19.23 +/- 1.90   0.313% *  1.0325% (0.98   0.02   0.02) =   0.005%
          QB    ALA   88 - HG3   GLU- 100  23.61 +/- 4.35   0.192% *  0.9447% (0.90   0.02   0.02) =   0.003%
          QG2   THR   23 - HG3   GLU- 100  19.12 +/- 2.98   0.521% *  0.2085% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG3   GLU- 100  26.01 +/- 3.14   0.128% *  0.2345% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.6:
      O   HA    GLU- 100 - HG3   GLU- 100   3.51 +/- 0.47  68.377% * 99.7364% (1.00  10.0   4.46  75.63) =  99.990%  kept
          HA    LYS+  38 - HG3   GLU- 100   7.82 +/- 5.04  30.886% *  0.0198% (0.20   1.0   0.02   0.02) =   0.009%
          HA    VAL   83 - HG3   GLU- 100  24.64 +/- 6.29   0.356% *  0.1000% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  26.12 +/- 2.75   0.216% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.55 +/- 2.16   0.165% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.29, residual support = 75.6:
          HN    GLU- 100 - HG3   GLU- 100   3.22 +/- 0.56 100.000% *100.0000% (0.97   4.29  75.63) = 100.000%  kept
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.48, residual support = 75.6:
          HN    GLU- 100 - HG2   GLU- 100   2.97 +/- 0.69 100.000% *100.0000% (0.84   6.48  75.63) = 100.000%  kept
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.83, residual support = 160.8:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.62 +/- 0.20  89.001% * 99.6342% (1.00  10.0   4.83 160.78) =  99.994%  kept
          HN    LYS+ 102 - HB    VAL   41  10.01 +/- 3.20   3.262% *  0.0448% (0.45   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - QB    LYS+ 102  12.98 +/- 3.84   1.640% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  14.83 +/- 3.85   0.888% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB    VAL   41   8.32 +/- 0.60   2.993% *  0.0272% (0.27   1.0   0.02   0.30) =   0.001%
          HN    GLU-  36 - HB    VAL   41  11.39 +/- 1.41   1.225% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  18.29 +/- 5.13   0.461% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  17.35 +/- 4.68   0.530% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 23.5:
          HN    ILE  103 - QB    LYS+ 102   2.98 +/- 0.39  93.211% * 98.9472% (1.00   5.46  23.47) =  99.989%  kept
          HN    ILE  103 - HB    VAL   41   9.85 +/- 2.52   3.869% *  0.1628% (0.45   0.02   0.02) =   0.007%
          HN    GLN   90 - QB    LYS+ 102  21.85 +/- 2.93   0.345% *  0.3428% (0.95   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.99 +/- 0.67   0.463% *  0.1906% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  20.56 +/- 3.12   0.433% *  0.1540% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  17.39 +/- 1.52   0.610% *  0.0857% (0.24   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  22.29 +/- 5.64   0.560% *  0.0807% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  20.58 +/- 4.55   0.509% *  0.0362% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 4.58, residual support = 160.3:
          HN    LYS+ 102 - HG2   LYS+ 102   3.49 +/- 0.50  88.422% * 95.9390% (0.73   4.59 160.78) =  99.704%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.39 +/- 1.59   6.886% *  3.5434% (0.38   0.33   0.02) =   0.287%  kept
          HN    GLU-  36 - HG2   LYS+ 102  16.46 +/- 4.63   1.471% *  0.3029% (0.53   0.02   0.02) =   0.005%
          HN    THR   39 - HG2   LYS+ 102  14.73 +/- 4.65   2.248% *  0.1008% (0.18   0.02   0.02) =   0.003%
          HD1   TRP   87 - HG2   LYS+ 102  20.89 +/- 6.13   0.973% *  0.1139% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 0.61, support = 0.02, residual support = 0.02:
        T QB    SER   85 - HA    ILE  103  20.32 +/- 5.08   4.091% * 19.9520% (0.90 10.00   0.02   0.02) =  24.474%  kept
        T QB    SER  117 - HA    ILE  103  15.16 +/- 3.07   7.713% *  7.5887% (0.34 10.00   0.02   0.02) =  17.547%  kept
        T QB    SER   48 - HA    ILE  103  21.67 +/- 1.98   2.225% * 19.2979% (0.87 10.00   0.02   0.02) =  12.873%  kept
        T HA2   GLY   51 - HA    ILE  103  26.03 +/- 2.30   1.315% * 13.4936% (0.61 10.00   0.02   0.02) =   5.321%  kept
        T QB    SER  117 - HA    THR   39  18.11 +/- 4.56   6.890% *  2.5072% (0.11 10.00   0.02   0.02) =   5.179%  kept
          HB    THR   94 - HA    ILE  103  13.25 +/- 1.05   9.900% *  1.7002% (0.76  1.00   0.02   0.02) =   5.046%  kept
          HA    LYS+ 121 - HA    ILE  103  16.64 +/- 6.87  10.617% *  1.5282% (0.69  1.00   0.02   0.02) =   4.864%  kept
        T QB    SER   48 - HA    THR   39  24.91 +/- 1.56   1.527% *  6.3756% (0.29 10.00   0.02   0.02) =   2.919%  kept
        T QB    SER   85 - HA    THR   39  25.84 +/- 2.97   1.466% *  6.5917% (0.30 10.00   0.02   0.02) =   2.897%  kept
          HA    ALA  120 - HA    ILE  103  18.89 +/- 5.02   4.304% *  2.2050% (0.99  1.00   0.02   0.02) =   2.845%  kept
          HA2   GLY   16 - HA    THR   39  14.05 +/- 5.50  14.152% *  0.6592% (0.30  1.00   0.02   0.02) =   2.797%  kept
        T HD2   PRO   52 - HA    ILE  103  23.92 +/- 2.00   1.616% *  5.5474% (0.25 10.00   0.02   0.02) =   2.688%  kept
          HA    LYS+  65 - HA    ILE  103  18.48 +/- 3.17   4.279% *  1.8582% (0.84  1.00   0.02   0.02) =   2.384%  kept
          HA    LYS+  65 - HA    THR   39  14.17 +/- 3.14  11.532% *  0.6139% (0.28  1.00   0.02   0.02) =   2.123%  kept
        T HA2   GLY   51 - HA    THR   39  29.00 +/- 3.16   1.188% *  4.4580% (0.20 10.00   0.02   0.02) =   1.587%  kept
          HA2   GLY   16 - HA    ILE  103  22.15 +/- 3.80   2.360% *  1.9952% (0.90  1.00   0.02   0.02) =   1.412%  kept
          HA    ALA  120 - HA    THR   39  18.22 +/- 4.64   4.762% *  0.7285% (0.33  1.00   0.02   0.02) =   1.040%  kept
          HA    LYS+ 121 - HA    THR   39  16.79 +/- 5.20   6.144% *  0.5049% (0.23  1.00   0.02   0.02) =   0.930%  kept
        T HD2   PRO   52 - HA    THR   39  27.82 +/- 2.09   1.087% *  1.8327% (0.08 10.00   0.02   0.02) =   0.597%  kept
          HB    THR   94 - HA    THR   39  20.11 +/- 0.85   2.831% *  0.5617% (0.25  1.00   0.02   0.02) =   0.477%  kept
    Distance limit 3.22 A violated in 20 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.59, residual support = 38.0:
      O   HN    LEU  104 - HA    ILE  103   2.33 +/- 0.13  96.767% * 99.8797% (0.92  10.0   6.59  38.03) =  99.999%  kept
          HN    PHE   72 - HA    THR   39   9.56 +/- 2.29   2.069% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.23 +/- 2.39   0.510% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  13.12 +/- 2.56   0.654% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.349, support = 3.87, residual support = 36.3:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.04  76.536% * 70.7559% (0.33  10.0   3.86  37.27) =  93.243%  kept
          HN    LYS+ 102 - HA    ILE  103   5.12 +/- 0.25  13.877% * 28.2156% (0.65   1.0   4.04  23.47) =   6.742%  kept
          HN    THR   39 - HA    ILE  103  13.45 +/- 2.75   0.984% *  0.2142% (0.99   1.0   0.02   0.02) =   0.004%
          HN    GLU-  36 - HA    THR   39   8.42 +/- 0.36   3.088% *  0.0596% (0.28   1.0   0.02   0.85) =   0.003%
          HD1   TRP   87 - HA    ILE  103  17.38 +/- 5.60   0.828% *  0.2156% (1.00   1.0   0.02   4.38) =   0.003%
          HN    GLU-  36 - HA    ILE  103  16.36 +/- 2.54   0.526% *  0.1805% (0.84   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ILE  103  17.49 +/- 3.75   0.798% *  0.1052% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    THR   39  12.33 +/- 4.27   1.585% *  0.0462% (0.21   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    THR   39  16.08 +/- 1.81   0.506% *  0.0347% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.74 +/- 3.59   0.167% *  0.0712% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.38 +/- 1.87   0.335% *  0.0333% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.44 +/- 2.39   0.246% *  0.0428% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  17.75 +/- 2.41   0.424% *  0.0110% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.80 +/- 2.11   0.100% *  0.0141% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.28, residual support = 31.1:
        T QD1   LEU   98 - HA    ILE  103   2.95 +/- 0.50  89.430% * 99.6453% (0.41 10.00   4.28  31.09) =  99.992%  kept
          QG2   ILE   19 - HA    THR   39  10.79 +/- 2.65   4.361% *  0.0799% (0.33  1.00   0.02   0.02) =   0.004%
          QG2   ILE   19 - HA    ILE  103  14.92 +/- 1.84   0.954% *  0.2418% (1.00  1.00   0.02   0.02) =   0.003%
          QD1   LEU   98 - HA    THR   39  10.09 +/- 2.90   5.254% *  0.0329% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.467, support = 2.76, residual support = 8.35:
          HN    ASP- 105 - QG2   ILE  103   2.83 +/- 0.46  84.159% * 28.2767% (0.38   2.56   3.00) =  73.885%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.16 +/- 0.38  11.807% * 71.1930% (0.73   3.32  23.47) =  26.097%  kept
          HD1   TRP   87 - QG2   ILE  103  13.85 +/- 4.31   2.338% *  0.1167% (0.20   0.02   4.38) =   0.008%
          HN    GLU-  36 - QG2   ILE  103  15.81 +/- 1.98   0.642% *  0.3103% (0.53   0.02   0.02) =   0.006%
          HN    THR   39 - QG2   ILE  103  13.41 +/- 2.03   1.054% *  0.1033% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 38.0:
          HN    LEU  104 - QG2   ILE  103   2.43 +/- 0.53  99.104% * 99.9409% (0.90   6.60  38.03) =  99.999%  kept
          HN    PHE   72 - QG2   ILE  103  13.21 +/- 2.05   0.896% *  0.0591% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.73, residual support = 138.9:
      O   HN    ILE  103 - HB    ILE  103   2.26 +/- 0.29  99.288% * 99.8308% (1.00  10.0   6.73 138.86) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  15.41 +/- 0.81   0.332% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  20.17 +/- 3.29   0.181% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  21.97 +/- 5.88   0.199% *  0.0222% (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 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   2.29 +/- 0.29  91.962% * 56.1695% (0.20  10.0 10.00   5.98 138.86) =  95.876%  kept
          HA    LEU  104 - HG12  ILE  103   6.12 +/- 0.29   5.181% * 42.8104% (0.61   1.0  1.00   4.97  38.03) =   4.117%  kept
          HA    ASP-  86 - HG12  ILE  103  18.35 +/- 6.69   0.688% *  0.2248% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP-  44 - HG12  ILE  103  10.87 +/- 1.55   1.151% *  0.0926% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HG12  ILE  103  16.45 +/- 2.93   0.466% *  0.0768% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  20.03 +/- 5.35   0.333% *  0.0768% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  23.87 +/- 2.68   0.094% *  0.2248% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  26.94 +/- 3.76   0.069% *  0.2233% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  29.47 +/- 4.62   0.056% *  0.1010% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.9:
          HN    ILE  103 - HG12  ILE  103   3.51 +/- 0.47  96.317% * 99.5129% (0.80   6.92 138.86) =  99.994%  kept
          HN    GLN   90 - HG12  ILE  103  18.93 +/- 3.48   1.008% *  0.2719% (0.76   0.02   0.02) =   0.003%
          HN    GLY  109 - HG12  ILE  103  14.48 +/- 0.87   1.616% *  0.1512% (0.42   0.02   0.02) =   0.003%
          HN    SER   82 - HG12  ILE  103  20.66 +/- 5.52   1.059% *  0.0640% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.9:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  97.867% * 99.2748% (0.58  10.0 10.00   4.31 138.86) =  99.997%  kept
          QG2   THR   94 - HG12  ILE  103   8.04 +/- 1.02   1.166% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   71 - HG12  ILE  103  15.27 +/- 3.47   0.239% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103   9.99 +/- 0.74   0.570% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  19.71 +/- 1.25   0.072% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  19.70 +/- 2.81   0.086% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.602, support = 5.06, residual support = 138.8:
      O T QG2   ILE  103 - HG12  ILE  103   2.73 +/- 0.30  32.736% * 66.7776% (0.80  10.0 10.00   5.47 138.86) =  51.896%  kept
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  62.187% * 32.5765% (0.39  10.0 10.00   4.62 138.86) =  48.092%  kept
        T QD2   LEU   71 - HG12  ILE  103  12.80 +/- 2.99   0.564% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   40 - HG12  ILE  103   7.90 +/- 2.89   2.784% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HG12  ILE  103  11.65 +/- 3.38   0.930% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  17.03 +/- 2.10   0.186% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  12.92 +/- 1.97   0.367% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.71 +/- 3.20   0.246% *  0.0207% (0.25   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 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.77, residual support = 31.1:
          QD1   LEU   98 - HG12  ILE  103   2.70 +/- 0.88  97.984% * 99.7506% (0.72   5.77  31.09) =  99.995%  kept
          QG2   ILE   19 - HG12  ILE  103  14.78 +/- 1.46   2.016% *  0.2494% (0.52   0.02   0.02) =   0.005%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.753, support = 4.07, residual support = 138.9:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  59.131% * 82.5087% (0.84  10.0   3.97 138.86) =  87.560%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.55 +/- 0.42  40.066% * 17.2996% (0.18  10.0   4.82 138.86) =  12.439%  kept
          QD2   LEU   71 - HG13  ILE  103  13.40 +/- 2.96   0.444% *  0.0717% (0.73   1.0   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG13  ILE  103  16.19 +/- 2.84   0.221% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.43 +/- 1.83   0.137% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 31.1:
          QD1   LEU   98 - HG13  ILE  103   3.13 +/- 0.64  98.725% * 99.3980% (0.90   2.38  31.09) =  99.992%  kept
          QG2   ILE   19 - HG13  ILE  103  15.32 +/- 1.64   1.275% *  0.6020% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  13.98 +/- 2.25  20.400% * 30.1124% (0.77   0.02   0.02) =  26.553%  kept
          HH2   TRP   49 - QD1   ILE  103  18.05 +/- 4.66  17.533% * 34.7918% (0.89   0.02   0.02) =  26.367%  kept
          QD    PHE   59 - QD1   ILE  103  12.69 +/- 2.23  31.987% * 17.5479% (0.45   0.02   0.02) =  24.263%  kept
          HD1   TRP   27 - QD1   ILE  103  12.85 +/- 3.68  30.080% * 17.5479% (0.45   0.02   0.02) =  22.816%  kept
    Distance limit 4.14 A violated in 19 structures by 5.44 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.549, support = 0.929, residual support = 4.29:
          HE3   TRP   87 - QD1   ILE  103  10.37 +/- 5.86  34.383% * 60.2068% (0.52   1.05   4.38) =  81.097%  kept
          HN    TRP   87 - QD1   ILE  103  13.33 +/- 5.19  12.002% * 35.6140% (0.67   0.48   4.38) =  16.745%  kept
          HD21  ASN   69 - QD1   ILE  103  14.70 +/- 4.02  18.568% *  1.3970% (0.63   0.02   0.02) =   1.016%  kept
          HN    GLN   17 - QD1   ILE  103  18.13 +/- 2.74   8.904% *  1.7641% (0.80   0.02   0.02) =   0.615%  kept
          HN    ALA   61 - QD1   ILE  103  15.43 +/- 2.02  14.311% *  0.5654% (0.26   0.02   0.02) =   0.317%  kept
          HN    ALA   91 - QD1   ILE  103  15.22 +/- 2.38  11.832% *  0.4528% (0.21   0.02   0.02) =   0.210%  kept
    Distance limit 3.78 A violated in 12 structures by 4.07 A, kept.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.67, residual support = 138.8:
          HN    ILE  103 - QD1   ILE  103   2.89 +/- 0.92  92.836% * 99.4063% (0.92   5.67 138.86) =  99.985%  kept
          HN    GLY  109 - QD1   ILE  103  12.18 +/- 1.60   3.515% *  0.1843% (0.49   0.02   0.02) =   0.007%
          HN    GLN   90 - QD1   ILE  103  15.45 +/- 3.11   1.875% *  0.3314% (0.87   0.02   0.02) =   0.007%
          HN    SER   82 - QD1   ILE  103  16.93 +/- 4.83   1.775% *  0.0780% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 5.39, residual support = 137.9:
      O   HA    ILE  103 - HG13  ILE  103   3.15 +/- 0.41  81.548% * 92.0162% (0.73  10.0   5.40 138.86) =  99.073%  kept
          HA    LEU  104 - HG13  ILE  103   6.60 +/- 0.50   9.692% *  7.1671% (0.28   1.0   4.07  38.03) =   0.917%  kept
          HA    ASP-  44 - HG13  ILE  103  11.05 +/- 1.28   2.655% *  0.1136% (0.90   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HG13  ILE  103  17.77 +/- 6.70   1.588% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HG13  ILE  103  16.25 +/- 2.70   0.853% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HG13  ILE  103  19.49 +/- 5.33   0.722% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HG13  ILE  103  14.59 +/- 2.84   1.381% *  0.0352% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HG13  ILE  103  19.97 +/- 3.63   0.778% *  0.0432% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.55 +/- 2.84   0.218% *  0.0820% (0.65   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.12 +/- 4.75   0.143% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  27.57 +/- 3.99   0.166% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.53 +/- 2.43   0.256% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 138.9:
          HN    ILE  103 - HG13  ILE  103   3.68 +/- 0.71  94.897% * 99.4587% (1.00   6.23 138.86) =  99.990%  kept
          HN    GLN   90 - HG13  ILE  103  18.47 +/- 3.35   1.383% *  0.3022% (0.95   0.02   0.02) =   0.004%
          HN    GLY  109 - HG13  ILE  103  14.12 +/- 1.10   2.335% *  0.1681% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  20.35 +/- 5.44   1.384% *  0.0711% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 6.49, residual support = 138.8:
          HN    ILE  103 - QG2   ILE  103   3.56 +/- 0.23  94.608% * 99.2541% (0.69   6.49 138.86) =  99.982%  kept
          HN    GLY  109 - QG2   ILE  103  11.34 +/- 0.59   3.037% *  0.4299% (0.97   0.02   0.02) =   0.014%
          HN    GLN   90 - QG2   ILE  103  16.26 +/- 2.21   1.158% *  0.2168% (0.49   0.02   0.02) =   0.003%
          HE1   HIS   22 - QG2   ILE  103  20.07 +/- 3.16   1.197% *  0.0992% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.5:
          HA    LYS+ 102 - HB    ILE  103   4.47 +/- 0.20  96.145% * 98.7658% (0.38   4.78  23.47) =  99.981%  kept
          HA    ALA   20 - HB    ILE  103  20.24 +/- 2.09   1.180% *  1.0163% (0.92   0.02   0.02) =   0.013%
          HA    LEU   71 - HB    ILE  103  16.83 +/- 3.25   2.675% *  0.2179% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.22 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.67, residual support = 16.6:
        T HB2   PHE   97 - HB2   LEU  104   3.04 +/- 0.93  68.366% * 96.2116% (0.82 10.00   4.69  16.71) =  99.377%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.85 +/- 1.16  11.279% *  3.5953% (0.78  1.00   0.79   0.02) =   0.613%  kept
          QE    LYS+  99 - HB2   LEU  104   6.43 +/- 1.18  17.799% *  0.0254% (0.22  1.00   0.02  18.67) =   0.007%
          HB3   TRP   27 - HB2   LEU  104  16.64 +/- 4.32   1.979% *  0.0939% (0.80  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - HB2   LEU  104  16.84 +/- 2.83   0.577% *  0.0739% (0.63  1.00   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.38, residual support = 36.4:
          HN    ASP- 105 - HB2   LEU  104   2.70 +/- 0.48  99.685% * 99.8757% (0.82   6.38  36.45) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  22.17 +/- 4.31   0.315% *  0.1243% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.39, residual support = 216.2:
      O   HN    LEU  104 - HB2   LEU  104   2.58 +/- 0.42  99.211% * 99.7579% (0.36  10.0   7.39 216.16) =  99.998%  kept
          HN    PHE   72 - HB2   LEU  104  14.29 +/- 2.59   0.789% *  0.2421% (0.87   1.0   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.87, residual support = 216.2:
      O   HN    LEU  104 - HB3   LEU  104   3.59 +/- 0.14  98.414% * 99.9343% (0.71  10.0   6.87 216.16) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  15.57 +/- 2.54   1.586% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 4.05 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 = 7.44, residual support = 216.2:
          HN    LEU  104 - HG    LEU  104   3.35 +/- 0.61  97.880% * 99.8236% (0.92   7.44 216.16) =  99.996%  kept
          HN    PHE   72 - HG    LEU  104  14.83 +/- 2.90   2.120% *  0.1764% (0.61   0.02   0.02) =   0.004%
    Distance limit 3.54 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.74, residual support = 18.6:
          HN    LYS+  99 - HG    LEU  104   3.91 +/- 1.14  68.850% * 96.8386% (0.98   1.75  18.67) =  99.510%  kept
          HE1   HIS  122 - HG    LEU  104  13.99 +/- 8.13  27.052% *  1.1259% (1.00   0.02   0.02) =   0.455%  kept
          HN    GLN   30 - HG    LEU  104  17.30 +/- 4.09   2.884% *  0.5059% (0.45   0.02   0.02) =   0.022%
          HN    GLU-  14 - HG    LEU  104  23.36 +/- 4.40   0.615% *  1.1061% (0.98   0.02   0.02) =   0.010%
          HN    ASP-  86 - HG    LEU  104  23.45 +/- 5.39   0.599% *  0.4235% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.20 A violated in 1 structures by 0.21 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.376, support = 6.6, residual support = 199.5:
          HN    LEU  104 - QD1   LEU  104   4.08 +/- 0.44  57.144% * 73.2713% (0.40   6.87 216.16) =  90.547%  kept
          HN    PHE   72 - QD1   LEU   73   6.53 +/- 0.63  16.875% * 21.6628% (0.18   4.55  44.61) =   7.905%  kept
          HN    PHE   72 - QD1   LEU   63   7.36 +/- 1.32  15.531% *  4.4700% (0.18   0.94  15.96) =   1.501%  kept
          HN    PHE   72 - QD1   LEU  104  12.11 +/- 2.70   3.647% *  0.5174% (0.96   0.02   0.02) =   0.041%
          HN    LEU  104 - QD1   LEU   63  11.54 +/- 2.87   4.214% *  0.0393% (0.07   0.02   0.02) =   0.004%
          HN    LEU  104 - QD1   LEU   73  12.89 +/- 2.54   2.589% *  0.0393% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.04 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 = 0.396, support = 3.25, residual support = 18.7:
        T HB2   LYS+  99 - QD1   LEU  104   2.57 +/- 0.49  77.975% * 96.7530% (0.40 10.00   3.26  18.67) =  99.902%  kept
          HB    VAL   43 - QD1   LEU   73   7.51 +/- 2.72   8.846% *  0.3913% (0.09  1.00   0.34   6.06) =   0.046%
        T HB    VAL   43 - QD1   LEU  104  10.70 +/- 1.67   2.384% *  1.2382% (0.51 10.00   0.02   0.02) =   0.039%
        T HB    ILE   89 - QD1   LEU  104  19.24 +/- 3.02   0.291% *  1.0551% (0.43 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  99 - QD1   LEU   63  12.24 +/- 3.04   1.410% *  0.1782% (0.07 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - QD1   LEU   73  13.07 +/- 1.88   1.200% *  0.1782% (0.07 10.00   0.02   0.02) =   0.003%
          HB    VAL   43 - QD1   LEU   63   8.35 +/- 2.31   5.026% *  0.0228% (0.09  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QD1   LEU  104  21.90 +/- 2.48   0.189% *  0.1055% (0.43  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  14.21 +/- 3.36   0.901% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  14.76 +/- 3.65   0.690% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  14.78 +/- 2.53   0.662% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  16.97 +/- 2.60   0.427% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.877, support = 2.37, residual support = 19.1:
          HB2   LYS+  99 - QD2   LEU  104   2.57 +/- 0.51  58.942% * 82.2475% (0.90  1.00   2.35  18.67) =  97.499%  kept
          HB3   GLN   17 - QG2   VAL   18   4.85 +/- 0.84  14.363% *  6.1794% (0.04  1.00   4.14  50.30) =   1.785%  kept
          HB2   LYS+  99 - QG1   VAL   41   6.50 +/- 2.22  18.613% *  1.3080% (0.05  1.00   0.70   0.02) =   0.490%  kept
        T HB    VAL   43 - QD2   LEU  104  10.33 +/- 1.64   1.115% *  7.5236% (0.97 10.00   0.02   0.02) =   0.169%  kept
        T HB    VAL   43 - QG1   VAL   41   7.78 +/- 0.80   3.396% *  0.4041% (0.05 10.00   0.02   1.42) =   0.028%
        T HB    VAL   43 - QG2   VAL   18  11.97 +/- 3.71   1.051% *  1.1561% (0.15 10.00   0.02   0.02) =   0.024%
          QD    LYS+  81 - QD2   LEU  104  21.43 +/- 3.13   0.122% *  0.7197% (0.92  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QG2   VAL   18  15.19 +/- 2.48   0.660% *  0.1074% (0.14  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD2   LEU  104  17.65 +/- 2.93   0.331% *  0.1944% (0.25  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  18.18 +/- 4.99   0.276% *  0.1106% (0.14  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   41  12.31 +/- 2.43   0.931% *  0.0104% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  18.68 +/- 2.74   0.201% *  0.0387% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.37, residual support = 41.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  94.280% * 76.1699% (0.72  10.0 10.00   3.35  41.89) =  98.777%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.15 +/- 0.41   3.903% * 22.7426% (0.93   1.0  1.00   4.66  23.02) =   1.221%  kept
          HB    ILE  103 - HB2   ASP- 105   8.41 +/- 0.33   0.865% *  0.0685% (0.65   1.0  1.00   0.02   3.00) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  16.64 +/- 1.50   0.119% *  0.3741% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   ASP- 105  15.89 +/- 2.78   0.157% *  0.0865% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  17.77 +/- 3.57   0.120% *  0.0645% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.24 +/- 1.92   0.082% *  0.0865% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.57 +/- 3.20   0.127% *  0.0524% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.55 +/- 2.02   0.090% *  0.0724% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.01 +/- 1.32   0.049% *  0.0920% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  23.14 +/- 2.51   0.046% *  0.0962% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.65 +/- 2.55   0.059% *  0.0724% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  18.76 +/- 3.05   0.102% *  0.0222% (0.21   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.63, residual support = 4.35:
        T QG2   THR  118 - HB2   ASP- 105   7.03 +/- 4.82 100.000% *100.0000% (0.54 10.00   1.63   4.35) = 100.000%  kept
    Distance limit 3.40 A violated in 8 structures by 3.80 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.63, residual support = 4.35:
        T QG2   THR  118 - HB3   ASP- 105   7.09 +/- 4.70 100.000% *100.0000% (0.57 10.00   1.63   4.35) = 100.000%  kept
    Distance limit 3.62 A violated in 9 structures by 3.68 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.882, support = 4.6, residual support = 49.9:
          HB2   PHE   97 - HB2   ASP- 105   4.17 +/- 0.74  61.367% * 55.6082% (0.89   4.81  59.55) =  73.674%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.29 +/- 1.07  27.728% * 43.9275% (0.85   4.01  23.02) =  26.296%  kept
          HB3   TRP   27 - HB2   ASP- 105  18.46 +/- 3.75   2.886% *  0.2257% (0.87   0.02   0.02) =   0.014%
          HB3   PHE   60 - HB2   ASP- 105  15.25 +/- 3.13   2.342% *  0.1775% (0.69   0.02   0.02) =   0.009%
          QE    LYS+  99 - HB2   ASP- 105  10.44 +/- 1.49   5.677% *  0.0610% (0.24   0.02   0.57) =   0.007%
    Distance limit 4.07 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.829, support = 3.72, residual support = 56.5:
        T HB2   PHE   97 - HB3   ASP- 105   3.31 +/- 0.52  72.730% * 67.7091% (0.87 10.00   3.72  59.55) =  91.542%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.88 +/- 1.04  14.159% * 32.0903% (0.41 10.00   3.66  23.02) =   8.446%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.27 +/- 1.35   4.675% *  0.0567% (0.73  1.00   0.02   0.57) =   0.005%
          HB3   TRP   27 - HB3   ASP- 105  18.08 +/- 3.95   3.401% *  0.0700% (0.90  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HB3   ASP- 105  10.75 +/- 1.28   2.891% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  15.43 +/- 3.04   1.389% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  16.29 +/- 1.72   0.756% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 41.9:
      O T HA    ASP- 105 - HB3   ASP- 105   2.95 +/- 0.09  91.283% * 99.8608% (0.87  10.0 10.00   3.21  41.89) =  99.997%  kept
          HB    THR   23 - HB3   ASP- 105  23.66 +/- 5.35   2.869% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   23 - HB3   ASP- 105  22.46 +/- 5.23   5.632% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB3   ASP- 105  23.80 +/- 3.47   0.216% *  0.0516% (0.45   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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.6, residual support = 41.9:
      O   HN    ASP- 105 - HB3   ASP- 105   2.77 +/- 0.23  99.687% * 99.9603% (0.95  10.0   4.60  41.89) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  21.70 +/- 3.65   0.313% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.85, residual support = 23.0:
          HN    LYS+ 106 - HB3   ASP- 105   4.01 +/- 0.23  94.000% * 99.5441% (0.18   3.85  23.02) =  99.971%  kept
          HN    VAL   41 - HB3   ASP- 105  10.39 +/- 1.06   6.000% *  0.4559% (0.15   0.02   0.02) =   0.029%
    Distance limit 4.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.59, residual support = 59.5:
          QD    PHE   97 - HB2   ASP- 105   3.70 +/- 0.73  95.545% * 99.3473% (0.87   3.59  59.55) =  99.981%  kept
          HZ3   TRP   87 - HB2   ASP- 105  16.20 +/- 5.98   3.092% *  0.5194% (0.82   0.02   0.02) =   0.017%
          HE3   TRP   49 - HB2   ASP- 105  23.14 +/- 3.66   1.364% *  0.1333% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.69, residual support = 41.9:
      O   HN    ASP- 105 - HB2   ASP- 105   3.56 +/- 0.22  99.377% * 99.9603% (0.89  10.0   4.69  41.89) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  21.15 +/- 3.68   0.623% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.81, residual support = 23.0:
          HN    LYS+ 106 - HB2   ASP- 105   2.91 +/- 0.38  97.704% * 99.5391% (0.17   3.81  23.02) =  99.989%  kept
          HN    VAL   41 - HB2   ASP- 105  11.38 +/- 1.10   2.296% *  0.4609% (0.15   0.02   0.02) =   0.011%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   3.11 +/- 0.66  98.107% * 99.9188% (0.87 10.00   1.07   2.13) =  99.998%  kept
          HA    PHE   72 - HA    LYS+ 106  14.72 +/- 2.56   1.893% *  0.0812% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.16, residual support = 10.6:
          QD    PHE   97 - HA    LYS+ 106   4.21 +/- 0.88  84.955% * 99.5993% (0.45   4.16  10.66) =  99.929%  kept
          HZ3   TRP   87 - HA    LYS+ 106  12.88 +/- 5.71  15.045% *  0.4007% (0.38   0.02   0.02) =   0.071%
    Distance limit 3.97 A violated in 3 structures by 0.48 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.99, residual support = 10.6:
          HN    PHE   97 - HA    LYS+ 106   3.37 +/- 0.43  94.693% * 90.6419% (0.90   3.00  10.66) =  99.603%  kept
          HN    LEU  115 - HA    LYS+ 106  10.52 +/- 1.66   3.702% *  9.1707% (0.90   0.30   0.02) =   0.394%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.72 +/- 1.01   1.605% *  0.1874% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.6:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.92 +/- 0.02 100.000% *100.0000% (0.61  10.0   5.17 135.65) = 100.000%  kept
    Distance limit 3.66 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 = 26.3:
      O   HN    VAL  107 - HA    LYS+ 106   2.20 +/- 0.02  99.815% * 99.8992% (0.99  10.0   4.58  26.29) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.54 +/- 2.37   0.185% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 5.38, residual support = 135.6:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.78 +/- 0.26  98.566% * 99.9120% (0.18  10.0   5.38 135.65) =  99.999%  kept
          HN    VAL   41 - QB    LYS+ 106  11.74 +/- 0.89   1.434% *  0.0880% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 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 = 26.3:
          HN    VAL  107 - QB    LYS+ 106   3.29 +/- 0.12  98.812% * 99.6070% (0.99   5.11  26.29) =  99.995%  kept
          HN    GLY   51 - QB    LYS+ 106  17.95 +/- 2.49   1.188% *  0.3930% (1.00   0.02   0.02) =   0.005%
    Distance limit 3.88 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 = 5.92, residual support = 135.5:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.45 +/- 0.09  88.803% * 94.0497% (0.61  10.0 10.00   5.93 135.65) =  99.924%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.58 +/- 0.86   3.394% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.046%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.16 +/- 1.30   1.089% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  65 - QB    LYS+ 106  18.44 +/- 2.61   0.276% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QB    LYS+ 106  19.55 +/- 1.57   0.188% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QB    LYS+ 106  10.25 +/- 0.93   1.294% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+ 106  14.59 +/- 3.01   0.722% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    LYS+ 106  13.61 +/- 5.74   1.424% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QB    LYS+ 106  13.73 +/- 0.97   0.532% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QB    LYS+ 106  10.57 +/- 1.16   1.284% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  16.07 +/- 1.49   0.345% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  16.91 +/- 3.96   0.521% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.05 +/- 2.83   0.128% *  0.1467% (0.95   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 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.69, residual support = 5.87:
          QG2   VAL  108 - QB    LYS+ 106   3.34 +/- 0.30  87.875% * 89.3413% (1.00   2.72   5.93) =  98.985%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.66 +/- 0.29   7.944% *  9.9307% (0.98   0.31   0.02) =   0.995%  kept
          QD1   ILE  119 - QB    LYS+ 106  12.07 +/- 1.72   2.461% *  0.5033% (0.76   0.02   0.02) =   0.016%
          HG3   LYS+ 112 - QB    LYS+ 106  13.10 +/- 1.05   1.719% *  0.2247% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 4.24, residual support = 23.7:
          QG2   VAL  107 - QB    LYS+ 106   5.43 +/- 0.27  24.370% * 93.4164% (0.76   4.63  26.29) =  90.194%  kept
          QG2   THR   94 - QB    LYS+ 106   4.48 +/- 0.65  42.158% *  5.5105% (0.28   0.75   0.02) =   9.204%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.85 +/- 1.35  25.173% *  0.5273% (1.00   0.02   0.02) =   0.526%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  13.65 +/- 6.10   5.605% *  0.2781% (0.53   0.02   0.02) =   0.062%
          HB3   LYS+ 112 - QB    LYS+ 106  13.81 +/- 1.02   1.584% *  0.1631% (0.31   0.02   0.02) =   0.010%
          QB    ALA   20 - QB    LYS+ 106  16.43 +/- 1.78   1.110% *  0.1046% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.71 A violated in 0 structures by 0.35 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.136, support = 5.87, residual support = 110.5:
          HN    LYS+  81 - QG    LYS+  81   2.86 +/- 0.43  83.469% * 65.5351% (0.13   5.93 111.57) =  99.020%  kept
          QE    PHE   95 - HG2   LYS+ 106  10.47 +/- 1.09   2.274% * 10.1988% (0.34   0.36   0.02) =   0.420%  kept
          HE3   TRP   27 - QG    LYS+  81  16.40 +/- 5.08   1.315% * 11.2719% (0.47   0.29   0.02) =   0.268%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.78 +/- 1.36   4.236% *  1.6277% (0.98   0.02   0.02) =   0.125%  kept
          HN    THR   23 - QG    LYS+  81  15.82 +/- 6.61   1.613% *  2.8832% (0.25   0.14   0.02) =   0.084%
          HN    THR   23 - HG2   LYS+  33  12.45 +/- 1.28   1.281% *  0.8736% (0.53   0.02   0.02) =   0.020%
          HE3   TRP   27 - HG2   LYS+ 106  16.43 +/- 3.00   0.734% *  0.9871% (0.59   0.02   0.02) =   0.013%
          QD    PHE   55 - HG2   LYS+ 106  17.36 +/- 2.26   0.506% *  0.9527% (0.57   0.02   0.02) =   0.009%
          QD    PHE   55 - QG    LYS+  81  18.87 +/- 3.43   0.600% *  0.7521% (0.45   0.02   0.02) =   0.008%
          QE    PHE   95 - QG    LYS+  81  15.87 +/- 2.17   0.871% *  0.4501% (0.27   0.02   0.02) =   0.007%
          QE    PHE   95 - HG2   LYS+  33  18.92 +/- 1.44   0.364% *  0.9401% (0.57   0.02   0.02) =   0.006%
          QD    PHE   55 - HG2   LYS+  33  25.25 +/- 3.24   0.182% *  1.5708% (0.95   0.02   0.02) =   0.005%
          HN    LEU   67 - HG2   LYS+  33  16.16 +/- 2.34   0.755% *  0.3286% (0.20   0.02   0.02) =   0.004%
          HN    THR   23 - HG2   LYS+ 106  21.07 +/- 3.09   0.306% *  0.5298% (0.32   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  23.97 +/- 6.08   0.289% *  0.4617% (0.28   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+ 106  21.72 +/- 4.26   0.402% *  0.2800% (0.17   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  18.60 +/- 3.12   0.487% *  0.1993% (0.12   0.02   0.02) =   0.002%
          HN    LEU   67 - QG    LYS+  81  20.50 +/- 2.21   0.316% *  0.1573% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 0.319, support = 0.02, residual support = 0.02:
          HN    GLU-  79 - QG    LYS+  81   6.35 +/- 0.97  57.818% * 10.3925% (0.27   0.02   0.02) =  57.725%  kept
          HN    VAL   70 - HG2   LYS+  33  13.45 +/- 2.03   9.943% * 18.6620% (0.49   0.02   0.02) =  17.825%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.11 +/- 4.52   3.316% * 21.7063% (0.57   0.02   0.02) =   6.916%  kept
          HN    THR   94 - HG2   LYS+ 106  11.22 +/- 1.48  13.672% *  4.6016% (0.12   0.02   0.02) =   6.044%  kept
          HN    VAL   70 - HG2   LYS+ 106  18.15 +/- 2.81   3.245% * 11.3181% (0.30   0.02   0.02) =   3.529%  kept
          HN    GLU-  79 - HG2   LYS+ 106  19.68 +/- 2.81   2.414% * 13.1644% (0.34   0.02   0.02) =   3.053%  kept
          HN    THR   94 - QG    LYS+  81  13.87 +/- 1.90   6.041% *  3.6327% (0.09   0.02   0.02) =   2.108%  kept
          HN    VAL   70 - QG    LYS+  81  22.11 +/- 1.89   1.645% *  8.9350% (0.23   0.02   0.02) =   1.412%  kept
          HN    THR   94 - HG2   LYS+  33  21.49 +/- 2.17   1.905% *  7.5874% (0.20   0.02   0.02) =   1.389%  kept
    Distance limit 4.07 A violated in 15 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 = 135.6:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.68 +/- 0.52  98.132% * 99.8764% (0.18  10.0   5.66 135.65) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  12.57 +/- 1.16   1.206% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.14 +/- 1.58   0.307% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.66 +/- 2.90   0.355% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 4.19, residual support = 44.1:
        T HB2   PHE   95 - HB    VAL  107   2.46 +/- 0.83 100.000% *100.0000% (0.69 10.00   4.19  44.08) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.19, residual support = 60.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.02  95.327% * 99.7352% (0.72  10.0 10.00   3.19  60.17) =  99.997%  kept
          HG2   LYS+ 121 - HB    VAL  107  12.38 +/- 5.15   1.939% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB    VAL  107  10.27 +/- 1.14   0.981% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107  10.33 +/- 2.20   1.226% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.52 +/- 2.26   0.256% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.80 +/- 3.33   0.270% *  0.0176% (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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.91, residual support = 60.2:
      O T QG1   VAL  107 - HB    VAL  107   2.11 +/- 0.01  96.048% * 99.7552% (0.71  10.0 10.00   3.91  60.17) =  99.998%  kept
          QG1   VAL   24 - HB    VAL  107  17.45 +/- 3.65   1.047% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    VAL  107  11.05 +/- 1.82   0.895% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107  10.33 +/- 2.20   1.215% *  0.0227% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  16.49 +/- 3.45   0.532% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.80 +/- 3.33   0.263% *  0.0254% (0.18   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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.651, support = 0.618, residual support = 4.22:
          QD2   LEU  115 - HB    VAL  107   6.80 +/- 1.74  30.791% * 50.8885% (0.67   0.75   6.85) =  60.760%  kept
          QD1   LEU   63 - HB    VAL  107   8.20 +/- 2.45  24.417% * 30.7807% (0.71   0.43   0.14) =  29.143%  kept
          QD2   LEU   63 - HB    VAL  107   8.98 +/- 2.37  15.966% * 14.1951% (0.33   0.43   0.14) =   8.788%  kept
          QD1   LEU   73 - HB    VAL  107  12.88 +/- 3.49  13.769% *  1.4409% (0.71   0.02   0.02) =   0.769%  kept
          QD1   LEU  104 - HB    VAL  107   9.91 +/- 1.02   9.722% *  1.0098% (0.50   0.02   0.02) =   0.381%  kept
          QD2   LEU   80 - HB    VAL  107  16.81 +/- 3.37   2.232% *  1.3184% (0.65   0.02   0.02) =   0.114%  kept
          QG1   VAL   83 - HB    VAL  107  15.07 +/- 2.90   3.104% *  0.3666% (0.18   0.02   0.02) =   0.044%
    Distance limit 4.08 A violated in 8 structures by 1.29 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.5, residual support = 44.1:
          QD    PHE   95 - HB    VAL  107   2.98 +/- 0.76  98.661% * 99.8174% (0.63   3.50  44.08) =  99.998%  kept
          HN    ALA   47 - HB    VAL  107  13.87 +/- 1.48   1.339% *  0.1826% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.73, residual support = 5.45:
          QD    PHE   97 - HB    VAL  107   4.95 +/- 1.13  93.025% * 99.0445% (0.33   1.74   5.46) =  99.928%  kept
          HZ3   TRP   87 - HB    VAL  107  15.14 +/- 4.44   6.975% *  0.9555% (0.27   0.02   0.02) =   0.072%
    Distance limit 3.91 A violated in 4 structures by 1.13 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   2.60 +/- 0.43  99.517% * 99.8992% (0.72  10.0   3.33  60.17) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.94 +/- 2.41   0.483% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.63, residual support = 44.1:
          HN    PHE   95 - HB    VAL  107   3.89 +/- 0.59 100.000% *100.0000% (0.47   3.63  44.08) = 100.000%  kept
    Distance limit 4.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.35, residual support = 60.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.05 +/- 0.06  91.406% * 99.3994% (0.99  10.0  1.00   4.35  60.17) =  99.988%  kept
        T HG13  ILE  119 - QG1   VAL  107   8.26 +/- 2.08   2.494% *  0.1985% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - QG1   VAL  107   9.58 +/- 4.64   3.932% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - QG1   VAL  107   8.76 +/- 1.07   1.332% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  15.19 +/- 3.22   0.445% *  0.1756% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG1   VAL  107  14.03 +/- 2.07   0.390% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.91, residual support = 60.2:
      O T HB    VAL  107 - QG1   VAL  107   2.11 +/- 0.01  92.332% * 99.5757% (0.65  10.0 10.00   3.91  60.17) =  99.997%  kept
          QE    LYS+ 112 - QG1   VAL  107   8.15 +/- 1.41   2.388% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG1   VAL  107   7.82 +/- 2.00   2.764% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.38 +/- 1.84   1.819% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG1   VAL  107  16.06 +/- 1.74   0.244% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  17.85 +/- 2.58   0.200% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.33 +/- 0.98   0.252% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 3.19, residual support = 60.1:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.02  89.368% * 98.1038% (0.65  10.0 10.00   3.19  60.17) =  99.913%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.95 +/- 1.40   4.909% *  1.5160% (0.25   1.0 10.00   0.08   0.02) =   0.085%
          HB3   PHE   45 - QG2   VAL  107   8.44 +/- 1.78   2.426% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   7.37 +/- 1.41   2.678% *  0.0266% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  15.62 +/- 1.77   0.274% *  0.1267% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  18.68 +/- 2.37   0.160% *  0.1513% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.93 +/- 1.03   0.185% *  0.0378% (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 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.651, support = 1.72, residual support = 5.48:
        T QB    GLU- 114 - QG2   VAL  107   3.29 +/- 1.45  60.627% * 94.9058% (0.65 10.00   1.74   5.55) =  98.638%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.82 +/- 1.85  19.755% *  3.8506% (0.99  1.00   0.46   0.02) =   1.304%  kept
        T HB    ILE  119 - QG2   VAL  107   8.62 +/- 2.02   7.225% *  0.2959% (0.18 10.00   0.02   0.02) =   0.037%
          HB3   PRO   68 - QG2   VAL  107  16.25 +/- 2.37   1.694% *  0.1353% (0.80  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QG2   VAL  107  18.21 +/- 1.99   1.268% *  0.1690% (1.00  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QG2   VAL  107  18.37 +/- 1.51   1.060% *  0.1690% (1.00  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG2   VAL  107  15.10 +/- 2.71   2.160% *  0.0822% (0.49  1.00   0.02   0.02) =   0.003%
          HB    ILE   19 - QG2   VAL  107  15.87 +/- 1.24   1.718% *  0.0957% (0.57  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QG2   VAL  107  20.89 +/- 2.93   0.727% *  0.1598% (0.95  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - QG2   VAL  107  17.20 +/- 2.22   1.117% *  0.0695% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG2   VAL  107  16.22 +/- 1.88   1.499% *  0.0296% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QG2   VAL  107  17.43 +/- 0.79   1.151% *  0.0376% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 1 structures by 0.57 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 1.83:
        T QD1   LEU   63 - QG1   VAL  107   7.05 +/- 2.41  24.716% * 44.6565% (0.98 10.00   0.61   0.14) =  52.771%  kept
          QD2   LEU  115 - QG1   VAL  107   5.56 +/- 1.48  31.962% * 16.6036% (0.92  1.00   2.40   6.85) =  25.373%  kept
        T QD1   LEU   73 - QG1   VAL  107  11.24 +/- 2.74  10.558% * 27.0737% (0.98 10.00   0.37   0.02) =  13.667%  kept
        T QD2   LEU   63 - QG1   VAL  107   7.67 +/- 2.29  15.517% * 10.1314% (0.45 10.00   0.30   0.14) =   7.516%  kept
        T QD1   LEU  104 - QG1   VAL  107   7.88 +/- 0.98  12.414% *  1.0275% (0.69 10.00   0.02   0.02) =   0.610%  kept
        T QG1   VAL   83 - QG1   VAL  107  13.26 +/- 2.72   2.805% *  0.3730% (0.25 10.00   0.02   0.02) =   0.050%
          QD2   LEU   80 - QG1   VAL  107  14.78 +/- 2.90   2.029% *  0.1342% (0.90  1.00   0.02   0.02) =   0.013%
    Distance limit 2.95 A violated in 11 structures by 1.49 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 1.26, residual support = 6.81:
          QD1   LEU  115 - QG2   VAL  107   4.54 +/- 1.27  79.837% * 97.6824% (0.38   1.27   6.85) =  99.404%  kept
          QG1   VAL   75 - QG2   VAL  107   9.18 +/- 1.46  20.163% *  2.3176% (0.57   0.02   0.02) =   0.596%  kept
    Distance limit 3.74 A violated in 5 structures by 0.90 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.84, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.62 +/- 1.36  71.153% * 58.0948% (0.90   0.02   0.02) =  77.373%  kept
          QG2   ILE   19 - QG2   VAL  107  14.25 +/- 1.40  28.847% * 41.9052% (0.65   0.02   0.02) =  22.627%  kept
    Distance limit 3.41 A violated in 20 structures by 5.90 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.61, residual support = 60.1:
      O T HA    VAL  107 - QG2   VAL  107   2.62 +/- 0.24  88.233% * 97.7858% (0.45  10.0 10.00   3.62  60.17) =  99.823%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.90 +/- 0.90   8.625% *  1.7106% (0.34   1.0  1.00   0.46   0.02) =   0.171%  kept
          HA    PRO   52 - QG2   VAL  107  12.16 +/- 2.43   1.320% *  0.1892% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - QG2   VAL  107  11.76 +/- 1.20   1.250% *  0.1323% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - QG2   VAL  107  16.27 +/- 2.36   0.572% *  0.1822% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.368, support = 2.86, residual support = 11.3:
          HB    VAL  108 - QG1   VAL  107   5.59 +/- 0.42  42.885% * 41.9979% (0.45  1.00   4.31  19.81) =  57.128%  kept
        T HB    ILE  119 - QG1   VAL  107   8.31 +/- 2.85  25.448% * 51.5458% (0.25 10.00   0.95   0.02) =  41.607%  kept
          HG2   PRO   58 - QG1   VAL  107  11.26 +/- 2.15   6.950% *  4.7422% (0.65  1.00   0.34   0.02) =   1.045%  kept
          HB2   PRO   93 - QG1   VAL  107   8.89 +/- 1.17  11.671% *  0.3628% (0.84  1.00   0.02   0.02) =   0.134%  kept
          HG3   PRO   52 - QG1   VAL  107  14.04 +/- 2.64   3.475% *  0.2810% (0.65  1.00   0.02   0.02) =   0.031%
          HB2   ARG+  54 - QG1   VAL  107  14.08 +/- 1.72   3.305% *  0.2285% (0.53  1.00   0.02   0.02) =   0.024%
          HB2   GLU-  14 - QG1   VAL  107  20.89 +/- 2.31   1.033% *  0.3154% (0.73  1.00   0.02   0.02) =   0.010%
          HB2   GLN   30 - QG1   VAL  107  15.49 +/- 2.20   2.706% *  0.1083% (0.25  1.00   0.02   0.02) =   0.009%
          HB3   GLU- 100 - QG1   VAL  107  15.80 +/- 0.87   2.020% *  0.0860% (0.20  1.00   0.02   0.02) =   0.006%
          HG2   MET   11 - QG1   VAL  107  26.46 +/- 3.64   0.506% *  0.3320% (0.76  1.00   0.02   0.02) =   0.005%
    Distance limit 3.41 A violated in 14 structures by 1.77 A, kept.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.904, support = 1.13, residual support = 6.35:
          HA    LEU  115 - QG1   VAL  107   4.07 +/- 2.49  50.392% * 47.1686% (0.90   1.13   6.85) =  62.698%  kept
          HA    GLU- 114 - QG1   VAL  107   5.34 +/- 2.18  28.552% * 49.0791% (0.92   1.14   5.55) =  36.964%  kept
          HA1   GLY  101 - QG1   VAL  107  14.94 +/- 0.96   3.676% *  0.9215% (0.99   0.02   0.02) =   0.089%
          HA    ALA   34 - QG1   VAL  107  16.18 +/- 1.45   3.251% *  0.9113% (0.98   0.02   0.02) =   0.078%
          HA    ASN   28 - QG1   VAL  107  16.69 +/- 3.33   3.375% *  0.8065% (0.87   0.02   0.02) =   0.072%
          HA    ARG+  54 - QG1   VAL  107  12.93 +/- 1.59   7.613% *  0.3171% (0.34   0.02   0.02) =   0.064%
          HA    THR   26 - QG1   VAL  107  19.25 +/- 3.09   1.756% *  0.5639% (0.61   0.02   0.02) =   0.026%
          HA    ALA  124 - QG1   VAL  107  15.83 +/- 3.17   1.385% *  0.2318% (0.25   0.02   0.02) =   0.008%
    Distance limit 3.37 A violated in 6 structures by 1.01 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.61, residual support = 60.2:
      O T HA    VAL  107 - QG1   VAL  107   2.38 +/- 0.44  93.110% * 99.4123% (0.45  10.0 10.00   4.61  60.17) =  99.992%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.48 +/- 0.84   4.496% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   91 - QG1   VAL  107  13.25 +/- 1.26   1.073% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   52 - QG1   VAL  107  13.67 +/- 1.96   0.705% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  15.77 +/- 2.84   0.617% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.506, support = 0.303, residual support = 0.728:
          QD    PHE   59 - QG1   VAL  107   6.26 +/- 1.95  61.922% * 77.2987% (0.49   0.32   0.77) =  94.278%  kept
          HH2   TRP   49 - QG1   VAL  107  13.84 +/- 2.53  16.142% *  9.5791% (0.97   0.02   0.02) =   3.046%  kept
          HE21  GLN   30 - QG1   VAL  107  15.82 +/- 2.10   8.638% *  8.2908% (0.84   0.02   0.02) =   1.411%  kept
          HD1   TRP   27 - QG1   VAL  107  15.78 +/- 3.40  13.298% *  4.8314% (0.49   0.02   0.02) =   1.266%  kept
    Distance limit 3.26 A violated in 13 structures by 2.79 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 4.19, residual support = 44.1:
          QD    PHE   95 - QG2   VAL  107   2.16 +/- 0.45  97.345% * 99.5285% (0.95   4.19  44.08) =  99.994%  kept
          HN    ALA   47 - QG2   VAL  107  11.10 +/- 1.59   1.131% *  0.3836% (0.76   0.02   0.02) =   0.004%
          QE    PHE   72 - QG2   VAL  107  10.14 +/- 1.73   1.524% *  0.0879% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.857, support = 1.63, residual support = 6.33:
          HN    LEU  115 - QG2   VAL  107   4.07 +/- 1.44  62.290% * 67.2118% (0.90   1.72   6.85) =  87.505%  kept
          HN    ASP- 113 - QG2   VAL  107   6.72 +/- 1.06  15.772% * 19.7018% (0.28   1.63   0.11) =   6.495%  kept
          HN    PHE   97 - QG2   VAL  107   6.89 +/- 0.75  21.939% * 13.0865% (0.90   0.34   5.46) =   6.001%  kept
    Distance limit 3.97 A violated in 2 structures by 0.37 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.8:
          HN    VAL  108 - QG2   VAL  107   3.30 +/- 0.32  92.067% * 99.3371% (0.57   3.64  19.81) =  99.943%  kept
          HN    VAL   43 - QG2   VAL  107   8.16 +/- 0.86   7.933% *  0.6629% (0.69   0.02   0.02) =   0.057%
    Distance limit 3.52 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.14, residual support = 60.2:
          HN    VAL  107 - QG1   VAL  107   2.83 +/- 0.53  98.971% * 99.5148% (0.99   4.14  60.17) =  99.995%  kept
          HN    GLY   51 - QG1   VAL  107  14.77 +/- 1.95   1.029% *  0.4852% (1.00   0.02   0.02) =   0.005%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3193 (9.18, 1.09, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   7.60 +/- 1.19 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.59 A violated in 20 structures by 4.02 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 = 6.4:
      O   HN    ALA  110 - HA2   GLY  109   2.81 +/- 0.27  98.097% * 99.9027% (0.99  10.0   2.20   6.40) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  11.22 +/- 1.63   1.903% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.59 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 = 9.34:
      O   HN    GLY  109 - HA2   GLY  109   2.56 +/- 0.27  98.695% * 99.5895% (0.53  10.0   2.20   9.34) =  99.998%  kept
          HN    GLN   90 - HA2   GLY  109  13.80 +/- 2.88   0.838% *  0.1791% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HA2   GLY  109  19.17 +/- 0.75   0.265% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  22.39 +/- 3.57   0.203% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.72, residual support = 65.1:
      O   HN    VAL  108 - HB    VAL  108   2.76 +/- 0.43  97.610% * 99.8788% (0.57  10.0   4.72  65.09) =  99.997%  kept
          HN    VAL   43 - HB    VAL  108  11.38 +/- 1.26   2.390% *  0.1212% (0.69   1.0   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.41:
          HN    GLY  109 - QG1   VAL  108   2.58 +/- 0.34  96.666% * 89.7981% (0.14   3.09   7.42) =  99.874%  kept
          HN    GLN   90 - QG1   VAL  108  10.64 +/- 2.23   1.921% *  3.7236% (0.87   0.02   0.02) =   0.082%
          HN    ILE  103 - QG1   VAL  108  13.45 +/- 0.96   0.805% *  2.9487% (0.69   0.02   0.02) =   0.027%
          HN    SER   82 - QG1   VAL  108  17.33 +/- 3.03   0.447% *  2.9487% (0.69   0.02   0.02) =   0.015%
          HN    GLY   16 - QG1   VAL  108  23.39 +/- 2.04   0.162% *  0.5809% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.72 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   3.57 +/- 0.18  95.953% * 99.4663% (0.57   4.52  65.09) =  99.977%  kept
          HN    VAL   43 - QG1   VAL  108  10.94 +/- 0.99   4.047% *  0.5337% (0.69   0.02   0.02) =   0.023%
    Distance limit 4.24 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 = 65.1:
          HN    VAL  108 - QG2   VAL  108   2.99 +/- 0.60  94.974% * 99.4086% (0.57   4.08  65.09) =  99.969%  kept
          HN    VAL   43 - QG2   VAL  108   9.22 +/- 0.85   5.026% *  0.5914% (0.69   0.02   0.02) =   0.031%
    Distance limit 3.37 A violated in 0 structures by 0.05 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  11.32 +/- 1.70  63.093% * 32.6470% (0.80   0.02   0.02) =  64.214%  kept
          HN    SER   82 - QG2   VAL  108  16.87 +/- 3.07  26.829% * 28.0060% (0.69   0.02   0.02) =  23.424%  kept
          HN    GLY   16 - QG2   VAL  108  22.04 +/- 2.02  10.078% * 39.3470% (0.97   0.02   0.02) =  12.362%  kept
    Distance limit 4.43 A violated in 20 structures by 6.45 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  16.35 +/- 2.04 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.98 A violated in 20 structures by 12.37 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 = 5.93:
          HA    LYS+ 106 - QG2   VAL  108   4.95 +/- 0.15 100.000% *100.0000% (0.28   1.42   5.93) = 100.000%  kept
    Distance limit 4.14 A violated in 0 structures by 0.82 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.54, residual support = 313.1:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.49 +/- 0.20  84.986% * 93.0942% (0.69  10.0  1.00   6.55 314.55) =  99.486%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.15 +/- 0.85   7.489% *  5.3161% (0.18   1.0  1.00   4.48  28.58) =   0.501%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.98 +/- 2.27   3.990% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HB3   LYS+ 111  13.42 +/- 2.46   0.896% *  0.3379% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HB3   LYS+ 111  13.71 +/- 2.26   0.716% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  15.08 +/- 1.97   0.468% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  17.51 +/- 2.36   0.317% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  19.52 +/- 2.53   0.227% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  19.06 +/- 1.15   0.211% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  23.42 +/- 2.78   0.127% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  23.03 +/- 4.03   0.175% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  24.88 +/- 4.54   0.159% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.67 +/- 3.07   0.144% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  27.86 +/- 4.29   0.094% *  0.0418% (0.31   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 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.381, support = 3.09, residual support = 24.0:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.89 +/- 1.49  39.484% * 79.3796% (0.31  1.00   3.65  28.58) =  83.917%  kept
          QG2   VAL  107 - HB3   LYS+ 111   5.18 +/- 2.13  52.831% * 11.1194% (0.76  1.00   0.21   0.02) =  15.728%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  15.82 +/- 3.04   1.354% *  7.4220% (0.53 10.00   0.02   0.02) =   0.269%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.50 +/- 1.19   4.898% *  0.3922% (0.28  1.00   0.02   0.02) =   0.051%
          HG13  ILE  103 - HB3   LYS+ 111  17.37 +/- 2.27   0.783% *  1.4076% (1.00  1.00   0.02   0.02) =   0.030%
          QB    ALA   20 - HB3   LYS+ 111  19.39 +/- 2.88   0.650% *  0.2792% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 3.22 A violated in 0 structures by 0.53 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.95, residual support = 314.5:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.87 +/- 0.18  88.985% * 99.9336% (0.97  10.0   6.95 314.55) =  99.997%  kept
          HA    PRO   52 - HB3   LYS+ 111  12.90 +/- 4.91   3.017% *  0.0504% (0.49   1.0   0.02   0.02) =   0.002%
          HA    VAL  108 - HB3   LYS+ 111   7.98 +/- 1.85   7.998% *  0.0160% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.78 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 = 5.48, residual support = 314.5:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.91 +/- 0.49  94.948% * 99.6823% (0.73  10.0   5.48 314.55) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.07 +/- 3.18   3.631% *  0.0468% (0.34   1.0   0.02   1.79) =   0.002%
          HN    ALA   84 - HB3   LYS+ 111  22.01 +/- 2.84   0.378% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  15.40 +/- 1.70   0.933% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  31.14 +/- 4.48   0.110% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 7.05, residual support = 314.5:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.05 +/- 0.65  85.838% * 99.5678% (1.00  10.0   7.05 314.55) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.43 +/- 3.05   2.632% *  0.0834% (0.84   1.0   0.02   1.79) =   0.003%
          HN    LEU   63 - HB2   LYS+ 111  16.04 +/- 1.84   0.853% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.76 +/- 1.32   3.427% *  0.0146% (0.15   1.0   0.02   1.66) =   0.001%
          HN    ALA   84 - HB2   LYS+ 111  22.72 +/- 2.82   0.354% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.20 +/- 0.64   4.297% *  0.0031% (0.03   1.0   0.02  17.39) =   0.000%
          HN    LEU   63 - HG3   GLN   30  15.89 +/- 2.46   0.901% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  20.98 +/- 5.98   0.607% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  32.01 +/- 4.56   0.129% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.66 +/- 3.96   0.341% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  25.29 +/- 4.74   0.355% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.73 +/- 3.35   0.265% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.176, support = 6.49, residual support = 313.5:
          HN    LYS+ 111 - HG2   LYS+ 111   3.90 +/- 0.75  87.674% * 90.4268% (0.18   6.52 314.55) =  99.652%  kept
          HN    ILE   56 - HG2   LYS+ 111  12.27 +/- 3.29   4.521% *  4.8536% (0.49   0.13   1.79) =   0.276%  kept
          QE    PHE   60 - HG2   LYS+ 111  13.79 +/- 3.27   4.300% *  0.4891% (0.31   0.02   0.02) =   0.026%
          HN    LEU   63 - HG2   LYS+ 111  16.93 +/- 1.95   1.427% *  0.9612% (0.61   0.02   0.02) =   0.017%
          HZ2   TRP   87 - HG2   LYS+ 111  22.06 +/- 4.40   0.935% *  1.4212% (0.90   0.02   0.02) =   0.017%
          HD21  ASN   28 - HG2   LYS+ 111  25.37 +/- 4.32   0.496% *  1.5706% (0.99   0.02   0.02) =   0.010%
          HN    ALA   84 - HG2   LYS+ 111  22.75 +/- 3.29   0.648% *  0.2775% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.54, residual support = 314.1:
          HN    LYS+ 111 - HG3   LYS+ 111   3.39 +/- 0.58  71.748% * 95.7563% (0.65   6.55 314.55) =  99.853%  kept
          HN    ILE   56 - HG3   LYS+ 111  11.95 +/- 3.66   3.093% *  2.7463% (0.97   0.13   1.79) =   0.123%  kept
          HN    LEU   63 - HG2   LYS+  74   8.72 +/- 2.73  15.805% *  0.0482% (0.11   0.02   0.02) =   0.011%
          HN    LEU   63 - HG3   LYS+ 111  16.87 +/- 2.37   0.756% *  0.4512% (1.00   0.02   0.02) =   0.005%
          HN    ALA   84 - HG3   LYS+ 111  22.41 +/- 3.67   0.337% *  0.2926% (0.65   0.02   0.02) =   0.001%
          HN    ILE   56 - HG2   LYS+  74  13.94 +/- 3.18   2.108% *  0.0466% (0.10   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG3   LYS+ 111  25.28 +/- 4.58   0.342% *  0.2560% (0.57   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG3   LYS+ 111  21.89 +/- 4.53   0.382% *  0.1697% (0.38   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  14.43 +/- 2.16   1.460% *  0.0274% (0.06   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  14.13 +/- 1.45   1.188% *  0.0313% (0.07   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  17.76 +/- 3.14   0.855% *  0.0313% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  14.98 +/- 3.27   1.346% *  0.0181% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  32.21 +/- 4.42   0.130% *  0.1128% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.41 +/- 2.66   0.450% *  0.0121% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0855, support = 5.87, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.21 +/- 0.67  93.400% * 91.7018% (0.09   5.88  32.09) =  99.836%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.83 +/- 1.08   5.031% *  1.7693% (0.11   0.09   0.02) =   0.104%  kept
          HN    ASP-  78 - HG3   LYS+ 111  20.18 +/- 4.44   0.858% *  3.6113% (0.99   0.02   0.02) =   0.036%
          HN    VAL   75 - HG3   LYS+ 111  18.85 +/- 2.63   0.710% *  2.9176% (0.80   0.02   0.02) =   0.024%
    Distance limit 3.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.721, support = 1.31, residual support = 3.85:
        T HB2   LEU  115 - HA    LYS+ 112   3.78 +/- 0.74  43.412% * 67.5183% (0.76 10.00   0.75   2.37) =  81.250%  kept
          QB    GLU- 114 - HA    LYS+ 112   4.65 +/- 0.50  26.763% * 16.5941% (0.73  1.00   1.94   0.82) =  12.311%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.45 +/- 0.38  15.335% * 14.9829% (0.18  1.00   7.26  28.58) =   6.369%  kept
          HG3   PRO   58 - HA    LYS+ 112  10.54 +/- 3.11   6.646% *  0.1887% (0.80  1.00   0.02   0.02) =   0.035%
          HG2   PRO   68 - HA    LYS+ 112  18.99 +/- 4.15   5.037% *  0.2044% (0.87  1.00   0.02   0.02) =   0.029%
          HB2   LEU   67 - HA    LYS+ 112  17.05 +/- 3.32   1.022% *  0.0884% (0.38  1.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    LYS+ 112  20.48 +/- 2.90   0.354% *  0.1887% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HA    LYS+ 112  26.62 +/- 4.92   0.273% *  0.0884% (0.38  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  18.90 +/- 3.87   0.557% *  0.0413% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    LYS+ 112  21.88 +/- 3.47   0.336% *  0.0525% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.72 +/- 3.09   0.266% *  0.0525% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.68, residual support = 7.57:
        T QD1   ILE   56 - HA    LYS+ 112   5.29 +/- 2.77  66.895% * 99.6903% (0.84 10.00   1.68   7.57) =  99.963%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.75 +/- 0.77   8.408% *  0.1312% (0.92  1.00   0.02   0.02) =   0.017%
          QD2   LEU   73 - HA    LYS+ 112  15.05 +/- 3.69   8.470% *  0.0805% (0.57  1.00   0.02   0.02) =   0.010%
          QD2   LEU  123 - HA    LYS+ 112  13.65 +/- 1.91  12.842% *  0.0395% (0.28  1.00   0.02   0.02) =   0.008%
          HG    LEU   31 - HA    LYS+ 112  22.13 +/- 4.06   3.386% *  0.0584% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 3.34 A violated in 9 structures by 2.16 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.759, support = 1.09, residual support = 2.13:
          QD    PHE   55 - HA    LYS+ 112   6.62 +/- 3.68  38.145% * 60.0192% (0.95   1.07   0.82) =  50.950%  kept
          QE    PHE   95 - HA    LYS+ 112   4.46 +/- 1.76  58.522% * 37.6310% (0.57   1.12   3.48) =  49.009%  kept
          HE3   TRP   27 - HA    LYS+ 112  19.55 +/- 3.41   0.781% *  1.1620% (0.98   0.02   0.02) =   0.020%
          HN    THR   23 - HA    LYS+ 112  21.81 +/- 4.37   0.783% *  0.6237% (0.53   0.02   0.02) =   0.011%
          HN    LEU   67 - HA    LYS+ 112  16.19 +/- 2.46   1.282% *  0.2346% (0.20   0.02   0.02) =   0.007%
          HN    LYS+  81 - HA    LYS+ 112  22.74 +/- 3.22   0.488% *  0.3296% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 237.7:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.82 +/- 0.06  95.784% * 99.7200% (0.92  10.0   5.76 237.75) =  99.998%  kept
          HN    THR   46 - HA    LYS+ 112  13.04 +/- 2.37   1.965% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  17.23 +/- 3.21   0.628% *  0.0937% (0.87   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LYS+ 112  12.58 +/- 2.09   1.531% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  33.13 +/- 6.00   0.092% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 237.7:
          HN    LYS+ 112 - HG2   LYS+ 112   3.68 +/- 0.63  90.856% * 98.9781% (0.41   6.23 237.75) =  99.962%  kept
          HN    ASP-  78 - HG2   LYS+ 112  18.08 +/- 4.75   3.503% *  0.5906% (0.76   0.02   0.02) =   0.023%
          HN    VAL   75 - HG2   LYS+ 112  16.07 +/- 3.88   5.381% *  0.2385% (0.31   0.02   0.02) =   0.014%
          HN    MET   11 - HG2   LYS+ 112  33.75 +/- 7.11   0.260% *  0.1927% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.781, support = 0.906, residual support = 1.5:
          QE    PHE   59 - HG2   LYS+ 112   7.92 +/- 2.15  36.453% * 64.1137% (0.90   1.03   1.78) =  72.190%  kept
          QD    PHE   60 - HG2   LYS+ 112   9.71 +/- 3.18  23.790% * 23.2067% (0.45   0.75   0.15) =  17.053%  kept
          HN    PHE   59 - HG2   LYS+ 112   9.19 +/- 2.83  30.417% * 11.1596% (0.53   0.31   1.78) =  10.485%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.43 +/- 2.62   6.298% *  1.2776% (0.92   0.02   0.02) =   0.249%  kept
          HN    LYS+  81 - HG2   LYS+ 112  23.37 +/- 4.43   3.041% *  0.2424% (0.18   0.02   0.02) =   0.023%
    Distance limit 4.21 A violated in 14 structures by 2.64 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.6, residual support = 237.6:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.53 +/- 0.38  95.405% * 93.9398% (0.20  10.0 10.00   4.61 237.75) =  99.921%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  12.80 +/- 2.60   1.391% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.073%
          HB3   PHE   45 - HG2   LYS+ 112  13.35 +/- 3.38   2.313% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG2   LYS+ 112  16.77 +/- 2.27   0.480% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG2   LYS+ 112  23.76 +/- 3.97   0.232% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  28.50 +/- 5.40   0.111% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  31.08 +/- 4.04   0.068% *  0.2128% (0.45   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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.64, residual support = 237.5:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.97 +/- 0.54  92.256% * 93.9398% (0.20  10.0 10.00   4.65 237.75) =  99.896%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  13.14 +/- 2.23   1.732% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.094%
          HB3   PHE   45 - HG3   LYS+ 112  13.06 +/- 3.79   4.644% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.005%
          HG3   MET   96 - HG3   LYS+ 112  16.31 +/- 2.24   0.748% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HG3   LYS+ 112  23.45 +/- 4.26   0.308% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG3   LYS+ 112  28.38 +/- 5.36   0.192% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  30.95 +/- 3.93   0.119% *  0.2128% (0.45   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 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.285, support = 1.54, residual support = 3.44:
          QE    PHE   95 - HG3   LYS+ 112   6.03 +/- 2.51  70.702% * 85.3873% (0.28   1.57   3.48) =  98.651%  kept
          HD1   TRP   49 - HG3   LYS+ 112  15.82 +/- 4.73   8.425% *  3.7860% (0.97   0.02   0.02) =   0.521%  kept
          HD2   HIS   22 - HG3   LYS+ 112  23.17 +/- 6.23   5.534% *  3.9230% (1.00   0.02   0.02) =   0.355%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.46 +/- 3.03   4.977% *  2.6948% (0.69   0.02   0.02) =   0.219%  kept
          HN    THR   23 - HG3   LYS+ 112  22.53 +/- 5.75   8.700% *  1.2108% (0.31   0.02   0.02) =   0.172%  kept
          HD21  ASN   35 - HG3   LYS+ 112  28.41 +/- 4.40   1.663% *  2.9981% (0.76   0.02   0.02) =   0.081%
    Distance limit 4.35 A violated in 9 structures by 1.82 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 237.7:
          HN    LYS+ 112 - HG3   LYS+ 112   3.11 +/- 0.70  95.579% * 98.9257% (0.41   5.92 237.75) =  99.980%  kept
          HN    ASP-  78 - HG3   LYS+ 112  18.08 +/- 5.04   2.211% *  0.6210% (0.76   0.02   0.02) =   0.015%
          HN    VAL   75 - HG3   LYS+ 112  16.10 +/- 4.03   1.986% *  0.2508% (0.31   0.02   0.02) =   0.005%
          HN    MET   11 - HG3   LYS+ 112  33.93 +/- 6.88   0.224% *  0.2026% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.85, residual support = 237.7:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.39 +/- 0.14  96.580% * 95.1769% (0.20  10.0  1.00   3.85 237.75) =  99.978%  kept
        T HG3   MET   96 - HD2   LYS+ 112  17.24 +/- 3.11   0.371% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.013%
          HB3   ASP-  62 - HD2   LYS+ 112  13.05 +/- 2.90   1.220% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PHE   45 - HD2   LYS+ 112  13.79 +/- 4.13   1.537% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HD2   LYS+ 112  23.95 +/- 4.80   0.159% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  29.17 +/- 6.03   0.082% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  31.74 +/- 4.53   0.051% *  0.2156% (0.45   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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 237.7:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.77 +/- 0.26  91.422% * 99.7845% (0.85  10.0   5.70 237.75) =  99.990%  kept
          QB    ALA   47 - HD3   LYS+ 112  11.71 +/- 3.68   5.524% *  0.1053% (0.89   1.0   0.02   0.02) =   0.006%
          QG1   VAL   42 - HD3   LYS+ 112  11.87 +/- 2.88   3.054% *  0.1103% (0.94   1.0   0.02   0.02) =   0.004%
    Distance limit 3.51 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 = 237.7:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.35 +/- 0.15  97.282% * 98.0934% (0.19  10.0   3.30 237.75) =  99.992%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  13.11 +/- 2.82   1.002% *  0.4913% (0.94   1.0   0.02   0.02) =   0.005%
          HB3   PHE   45 - HD3   LYS+ 112  14.04 +/- 4.05   1.154% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HG3   MET   96 - HD3   LYS+ 112  17.62 +/- 2.81   0.298% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  24.16 +/- 4.57   0.122% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  29.38 +/- 5.80   0.093% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  31.93 +/- 4.46   0.048% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 237.7:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.53 +/- 0.38  81.273% * 99.5374% (0.75  10.0 10.00   4.61 237.75) =  99.983%  kept
          QB    ALA   47 - QE    LYS+ 112   9.92 +/- 3.06   5.461% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   42 - QE    LYS+ 112  10.03 +/- 2.76   3.231% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+ 112 - HB3   ASP-  62  12.80 +/- 2.60   1.189% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HB3   ASP-  62   8.15 +/- 2.07   8.064% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   47 - HB3   ASP-  62  14.05 +/- 2.07   0.782% *  0.0215% (0.16   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 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.421, support = 1.13, residual support = 7.07:
          QD1   ILE   56 - QE    LYS+ 112   5.69 +/- 2.03  27.517% * 76.3602% (0.44   1.20   7.57) =  93.419%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.98 +/- 0.96  10.999% *  3.6637% (0.09   0.28   0.02) =   1.792%  kept
          QG1   VAL   41 - HB3   ASP-  62  13.15 +/- 3.53   9.878% *  3.6808% (0.14   0.18   0.02) =   1.616%  kept
          QG2   VAL   18 - HB3   ASP-  62  10.04 +/- 3.45   7.877% *  2.7697% (0.07   0.27   0.02) =   0.970%  kept
          QD2   LEU   73 - HB3   ASP-  62  11.61 +/- 2.66   7.162% *  1.7201% (0.14   0.09   0.02) =   0.548%  kept
          QG2   THR   46 - QE    LYS+ 112  10.05 +/- 3.16  11.564% *  0.7468% (0.26   0.02   0.02) =   0.384%  kept
          QG2   THR   46 - HB3   ASP-  62  11.13 +/- 2.19   4.140% *  1.5300% (0.05   0.20   0.02) =   0.282%  kept
          QD2   LEU   73 - QE    LYS+ 112  14.29 +/- 4.20   3.131% *  1.9374% (0.67   0.02   0.02) =   0.270%  kept
          QG2   VAL   18 - QE    LYS+ 112  14.04 +/- 3.54   5.074% *  0.9947% (0.34   0.02   0.02) =   0.224%  kept
          QG1   VAL   43 - QE    LYS+ 112  12.75 +/- 2.74   2.812% *  1.5652% (0.54   0.02   0.02) =   0.196%  kept
          QG1   VAL   41 - QE    LYS+ 112  15.71 +/- 3.09   1.281% *  2.0209% (0.70   0.02   0.02) =   0.115%  kept
          QG1   VAL   43 - HB3   ASP-  62  12.12 +/- 2.66   6.418% *  0.3202% (0.11   0.02   0.02) =   0.091%
          HG    LEU   31 - QE    LYS+ 112  21.01 +/- 5.02   0.628% *  2.2335% (0.77   0.02   0.02) =   0.062%
          HG    LEU   31 - HB3   ASP-  62  19.22 +/- 4.22   1.517% *  0.4570% (0.16   0.02   0.02) =   0.031%
    Distance limit 3.82 A violated in 3 structures by 0.81 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.798, support = 4.64, residual support = 235.2:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.97 +/- 0.54  61.035% * 95.4405% (0.81  10.0 10.00   4.65 237.75) =  98.719%  kept
          HG    LEU   63 - HB3   ASP-  62   5.60 +/- 1.19  18.091% *  4.1364% (0.15   1.0  1.00   4.56  42.32) =   1.268%  kept
        T HG3   LYS+ 112 - HB3   ASP-  62  13.14 +/- 2.23   1.171% *  0.1953% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   63 - QE    LYS+ 112  10.86 +/- 2.85   2.460% *  0.0887% (0.75   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   24 - HB3   ASP-  62  17.94 +/- 4.37  11.839% *  0.0155% (0.13   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - QE    LYS+ 112  17.72 +/- 4.99   1.002% *  0.0756% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    LYS+ 112  10.07 +/- 1.72   2.066% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    LYS+ 112  17.14 +/- 2.10   0.377% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.98 +/- 1.98   0.756% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.03 +/- 3.92   1.203% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.496, support = 0.078, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   6.95 +/- 1.40  22.196% * 84.3631% (0.51 10.00   0.08   0.02) =  93.346%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.31 +/- 1.88  29.734% *  1.9392% (0.11  1.00   0.08   0.02) =   2.874%  kept
          HG13  ILE  119 - QE    LYS+ 112   9.03 +/- 3.05  20.067% *  2.2444% (0.54  1.00   0.02   0.02) =   2.245%  kept
          QB    ALA   20 - QE    LYS+ 112  15.70 +/- 4.00   3.220% *  3.4617% (0.83  1.00   0.02   0.02) =   0.556%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.56 +/- 1.57   2.033% *  2.8979% (0.70  1.00   0.02   0.02) =   0.294%  kept
          QB    ALA   20 - HB3   ASP-  62  13.37 +/- 2.86   6.381% *  0.7083% (0.17  1.00   0.02   0.02) =   0.225%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.25 +/- 2.55   4.675% *  0.5929% (0.14  1.00   0.02   0.02) =   0.138%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.95 +/- 1.71   5.063% *  0.4305% (0.10  1.00   0.02   0.02) =   0.109%  kept
          HB3   LEU   31 - QE    LYS+ 112  21.43 +/- 4.72   0.893% *  2.1043% (0.51  1.00   0.02   0.02) =   0.094%
          HB3   LEU   31 - HB3   ASP-  62  19.61 +/- 4.00   3.172% *  0.4305% (0.10  1.00   0.02   0.02) =   0.068%
          HG13  ILE  103 - QE    LYS+ 112  17.56 +/- 2.95   1.223% *  0.6866% (0.17  1.00   0.02   0.02) =   0.042%
          HG13  ILE  103 - HB3   ASP-  62  18.54 +/- 3.75   1.344% *  0.1405% (0.03  1.00   0.02   0.02) =   0.009%
    Distance limit 3.23 A violated in 8 structures by 1.66 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.781, support = 0.873, residual support = 2.52:
          QE    PHE   95 - QE    LYS+ 112   5.70 +/- 2.91  29.363% * 60.3571% (0.82   1.01   3.48) =  64.170%  kept
          QD    PHE   55 - QE    LYS+ 112   6.00 +/- 3.08  28.712% * 33.6789% (0.72   0.64   0.82) =  35.013%  kept
          QE    PHE   95 - HB3   ASP-  62   8.70 +/- 1.98   8.375% *  1.4650% (0.17   0.12   0.02) =   0.444%  kept
          HN    THR   23 - QE    LYS+ 112  20.14 +/- 5.42   2.414% *  1.1754% (0.81   0.02   0.02) =   0.103%  kept
          HN    LEU   67 - HB3   ASP-  62   7.02 +/- 1.12   9.725% *  0.1612% (0.11   0.02   0.02) =   0.057%
          HD1   TRP   49 - QE    LYS+ 112  13.90 +/- 3.98   3.954% *  0.3759% (0.26   0.02   0.02) =   0.054%
          HN    LEU   67 - QE    LYS+ 112  14.93 +/- 3.05   1.274% *  0.7879% (0.54   0.02   0.02) =   0.036%
          HE3   TRP   27 - HB3   ASP-  62  16.36 +/- 3.21   4.898% *  0.1995% (0.14   0.02   0.02) =   0.035%
          HE3   TRP   27 - QE    LYS+ 112  18.58 +/- 4.61   0.948% *  0.9752% (0.67   0.02   0.02) =   0.033%
          QD    PHE   55 - HB3   ASP-  62  11.76 +/- 1.12   2.574% *  0.2161% (0.15   0.02   0.02) =   0.020%
          HN    THR   23 - HB3   ASP-  62  19.01 +/- 3.65   1.380% *  0.2405% (0.16   0.02   0.02) =   0.012%
          HD2   HIS   22 - QE    LYS+ 112  20.59 +/- 5.66   1.193% *  0.2410% (0.17   0.02   0.02) =   0.010%
          HD1   TRP   49 - HB3   ASP-  62  18.89 +/- 3.58   2.564% *  0.0769% (0.05   0.02   0.02) =   0.007%
          HD2   HIS   22 - HB3   ASP-  62  18.61 +/- 4.57   2.624% *  0.0493% (0.03   0.02   0.02) =   0.005%
    Distance limit 3.91 A violated in 2 structures by 0.41 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.847, support = 3.16, residual support = 21.6:
          HN    GLU- 114 - QB    ASP- 113   2.98 +/- 0.25  72.294% * 72.9979% (0.84   3.37  23.46) =  91.526%  kept
          HN    GLN  116 - QB    ASP- 113   4.85 +/- 0.36  19.411% * 24.5085% (0.98   0.96   1.92) =   8.251%  kept
          HN    THR  118 - QB    ASP- 113   7.11 +/- 0.85   6.242% *  1.9672% (0.80   0.09   0.02) =   0.213%  kept
          HN    PHE   60 - QB    ASP- 113  11.57 +/- 1.41   1.591% *  0.2938% (0.57   0.02   0.02) =   0.008%
          HN    LEU   71 - QB    ASP- 113  19.60 +/- 3.68   0.462% *  0.2327% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.95 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 = 3.49, residual support = 14.5:
      O   HN    ASP- 113 - QB    ASP- 113   2.27 +/- 0.22  99.537% * 99.9821% (0.98  10.0   3.49  14.48) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.08 +/- 2.31   0.463% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.432, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   7.68 +/- 2.15  74.131% * 39.4133% (0.41 10.00   0.02   0.02) =  89.054%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.37 +/- 1.67   5.139% * 50.4393% (0.53 10.00   0.02   0.02) =   7.901%  kept
          HB    ILE   89 - HA    ASP- 113  21.11 +/- 2.89   9.668% *  8.8499% (0.92  1.00   0.02   0.02) =   2.608%  kept
          HB    VAL   43 - HA    ASP- 113  17.52 +/- 1.55  11.062% *  1.2975% (0.14  1.00   0.02   0.02) =   0.437%  kept
    Distance limit 3.78 A violated in 18 structures by 3.81 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 4.51, residual support = 51.6:
      O   HN    GLU- 114 - HA    GLU- 114   2.77 +/- 0.04  34.922% * 51.8232% (0.84  10.0   3.74  43.39) =  74.158%  kept
      O   HN    GLN  116 - HA    LEU  115   3.58 +/- 0.05  16.312% * 27.9878% (0.45  10.0   7.87 102.00) =  18.708%  kept
          HN    GLN  116 - HA    GLU- 114   4.44 +/- 0.47   9.418% * 12.9657% (0.98   1.0   4.26   2.02) =   5.004%  kept
          HN    GLU- 114 - HA    LEU  115   5.24 +/- 0.11   5.232% *  5.1666% (0.38   1.0   4.33  20.84) =   1.108%  kept
          HN    THR  118 - HA    GLU- 114   4.94 +/- 1.22  11.749% *  1.1945% (0.80   1.0   0.48   0.16) =   0.575%  kept
          HN    THR  118 - HA    LEU  115   3.43 +/- 0.34  19.827% *  0.5316% (0.37   1.0   0.46   0.17) =   0.432%  kept
          HN    PHE   60 - HA    LEU  115   8.30 +/- 0.85   1.453% *  0.2548% (0.26   1.0   0.32   0.02) =   0.015%
          HN    PHE   60 - HA    GLU- 114  12.01 +/- 0.91   0.458% *  0.0351% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  15.43 +/- 3.61   0.447% *  0.0128% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.22 +/- 3.91   0.183% *  0.0278% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.657, support = 6.21, residual support = 118.7:
      O   HN    LEU  115 - HA    GLU- 114   3.60 +/- 0.04  27.635% * 65.8703% (0.90  10.0   4.79  20.84) =  50.824%  kept
      O   HN    LEU  115 - HA    LEU  115   2.83 +/- 0.06  56.943% * 30.3143% (0.41  10.0   7.76 223.81) =  48.195%  kept
          HN    ASP- 113 - HA    GLU- 114   5.17 +/- 0.16   9.433% *  3.7098% (0.28   1.0   3.63  23.46) =   0.977%  kept
          HN    PHE   97 - HA    LEU  115  10.43 +/- 2.50   1.647% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  12.79 +/- 2.23   0.747% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   7.13 +/- 0.25   3.596% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.41 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 = 4.18, residual support = 41.9:
      O   HN    GLU- 114 - QB    GLU- 114   2.22 +/- 0.20  80.157% * 74.9000% (0.81  10.0   4.18  43.39) =  96.377%  kept
          HN    GLN  116 - QB    GLU- 114   4.79 +/- 0.35   8.985% * 21.1168% (0.95   1.0   4.80   2.02) =   3.046%  kept
          HN    THR  118 - QB    GLU- 114   5.52 +/- 0.99   9.214% *  3.8922% (0.77   1.0   1.08   0.16) =   0.576%  kept
          HN    PHE   60 - QB    GLU- 114  10.41 +/- 1.38   1.337% *  0.0508% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  17.10 +/- 3.46   0.308% *  0.0402% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.828, support = 5.5, residual support = 21.0:
          HN    LEU  115 - QB    GLU- 114   2.98 +/- 0.47  73.381% * 83.2492% (0.87   5.63  20.84) =  93.782%  kept
          HN    ASP- 113 - QB    GLU- 114   4.55 +/- 0.33  24.580% * 16.4548% (0.27   3.59  23.46) =   6.209%  kept
          HN    PHE   97 - QB    GLU- 114  10.48 +/- 2.06   2.040% *  0.2960% (0.87   0.02   0.02) =   0.009%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.86, support = 4.14, residual support = 34.9:
          HN    GLU- 114 - QG    GLU- 114   2.73 +/- 0.49  68.324% * 45.4615% (0.83   4.27  43.39) =  79.441%  kept
          HN    GLN  116 - QG    GLU- 114   4.97 +/- 0.81  14.800% * 49.2040% (0.98   3.94   2.02) =  18.624%  kept
          HN    THR  118 - QG    GLU- 114   5.81 +/- 1.29  14.844% *  5.0762% (0.80   0.50   0.16) =   1.927%  kept
          HN    PHE   60 - QG    GLU- 114  10.44 +/- 1.67   1.624% *  0.1442% (0.56   0.02   0.02) =   0.006%
          HN    LEU   71 - QG    GLU- 114  16.98 +/- 3.03   0.408% *  0.1142% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 5.67, residual support = 20.8:
          HN    LEU  115 - QG    GLU- 114   3.13 +/- 1.07  93.383% * 98.5115% (0.45   5.67  20.84) =  99.973%  kept
          HN    PHE   97 - QG    GLU- 114  10.10 +/- 1.42   5.328% *  0.3475% (0.45   0.02   0.02) =   0.020%
          HN    ASN   35 - QG    GLU- 114  22.00 +/- 3.35   0.995% *  0.4078% (0.52   0.02   0.02) =   0.004%
          HN    ALA   12 - QG    GLU- 114  28.51 +/- 3.99   0.293% *  0.7332% (0.94   0.02   0.02) =   0.002%
    Distance limit 4.14 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.942, support = 1.1, residual support = 4.65:
          QG1   VAL  107 - QG    GLU- 114   3.68 +/- 1.37  67.073% * 53.7665% (0.98   1.16   5.55) =  81.082%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.27 +/- 1.49  22.106% * 35.1320% (0.83   0.89   0.82) =  17.461%  kept
          HG13  ILE  119 - QG    GLU- 114   9.15 +/- 1.49   6.385% *  9.8222% (0.22   0.93   0.11) =   1.410%  kept
          QG1   VAL   24 - QG    GLU- 114  17.68 +/- 3.60   1.785% *  0.8763% (0.92   0.02   0.02) =   0.035%
          QG2   VAL   24 - QG    GLU- 114  17.03 +/- 3.67   1.705% *  0.1662% (0.17   0.02   0.02) =   0.006%
          HB3   LEU   31 - QG    GLU- 114  19.36 +/- 4.03   0.947% *  0.2367% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.31 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 1.73, residual support = 5.5:
        T QG2   VAL  107 - QB    GLU- 114   3.29 +/- 1.45  76.472% * 94.8941% (0.59 10.00   1.74   5.55) =  98.974%  kept
          HG13  ILE  119 - QB    GLU- 114   9.02 +/- 1.26  16.044% *  4.6307% (0.62  1.00   0.79   0.11) =   1.013%  kept
          HG2   LYS+ 121 - QB    GLU- 114  11.05 +/- 2.27   4.167% *  0.1505% (0.81  1.00   0.02   0.02) =   0.009%
          QB    ALA   20 - QB    GLU- 114  16.57 +/- 2.71   1.201% *  0.1798% (0.96  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - QB    GLU- 114  19.68 +/- 4.49   0.647% *  0.1093% (0.59  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  13.87 +/- 1.57   1.469% *  0.0357% (0.19  1.00   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 1 structures by 0.50 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.911, support = 6.43, residual support = 218.6:
      O T HA    LEU  115 - HB3   LEU  115   2.33 +/- 0.18  76.380% * 66.5643% (0.92  10.0 10.00   6.50 223.81) =  97.413%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.38 +/- 0.26   4.146% * 32.3284% (0.45   1.0 10.00   3.82  20.84) =   2.568%  kept
        T HA    ARG+  54 - HB3   LEU  115  11.23 +/- 2.11   1.254% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.014%
          HA    ALA   34 - HB3   LEU   40   8.09 +/- 1.68  12.845% *  0.0068% (0.09   1.0  1.00   0.02   0.45) =   0.002%
        T HA    LEU  115 - HB3   LEU   40  14.47 +/- 3.44   0.830% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HB3   LEU  115  20.43 +/- 4.37   0.243% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  17.80 +/- 3.98   0.360% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.34 +/- 0.97   0.199% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  19.76 +/- 3.02   0.169% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  21.89 +/- 3.16   0.109% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.51 +/- 2.19   0.117% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  15.88 +/- 6.00   0.772% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.48 +/- 2.76   0.532% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  12.51 +/- 3.97   0.782% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.67 +/- 2.75   0.156% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.02 +/- 2.34   0.231% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  22.53 +/- 4.26   0.160% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  25.49 +/- 3.29   0.071% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.77 +/- 1.31   0.572% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  24.26 +/- 2.03   0.073% *  0.0026% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.3, residual support = 223.8:
      O T QD1   LEU  115 - HB3   LEU  115   2.58 +/- 0.40  90.814% * 99.7570% (0.87  10.0 10.00   6.30 223.81) =  99.990%  kept
          QG1   VAL   75 - HB3   LEU  115  10.65 +/- 2.06   6.810% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.008%
        T QD1   LEU  115 - HB3   LEU   40  13.26 +/- 2.47   1.303% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HB3   LEU   40  12.32 +/- 1.22   1.073% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.45, residual support = 223.1:
      O T QD2   LEU  115 - HB3   LEU  115   2.60 +/- 0.40  46.031% * 96.9537% (0.45  10.0 10.00   7.47 223.81) =  99.645%  kept
          QG2   VAL   41 - HB3   LEU   40   5.85 +/- 0.43   5.138% *  1.9807% (0.04   1.0  1.00   4.16  20.73) =   0.227%  kept
          QD1   LEU   63 - HB3   LEU  115   6.35 +/- 2.33  13.699% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.053%
          QD2   LEU   63 - HB3   LEU  115   7.05 +/- 2.56  11.853% *  0.1996% (0.92   1.0  1.00   0.02   0.02) =   0.053%
          QD1   LEU   73 - HB3   LEU  115  12.89 +/- 3.84   3.191% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.012%
        T QD2   LEU  115 - HB3   LEU   40  12.92 +/- 2.82   0.789% *  0.1138% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   LEU   40   7.97 +/- 2.02   3.227% *  0.0234% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HB3   LEU  115  12.36 +/- 2.21   0.781% *  0.0812% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   LEU   40   8.79 +/- 2.18   2.440% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   7.40 +/- 3.10   6.541% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  17.15 +/- 3.32   0.348% *  0.0889% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  12.57 +/- 2.14   0.535% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.69 +/- 1.83   1.091% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  13.26 +/- 1.73   0.416% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.72 +/- 2.57   3.051% *  0.0056% (0.03   1.0  1.00   0.02   9.44) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.73 +/- 3.61   0.297% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  17.30 +/- 3.49   0.284% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  18.52 +/- 3.73   0.289% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.945, support = 7.53, residual support = 86.5:
          HN    GLN  116 - HB3   LEU  115   4.04 +/- 0.35  32.564% * 65.5061% (0.98   8.55 102.00) =  83.132%  kept
          HN    GLU- 114 - HB3   LEU  115   5.99 +/- 0.34  10.016% * 21.1836% (0.84   3.25  20.84) =   8.269%  kept
          HN    THR  118 - HB3   LEU  115   5.20 +/- 0.45  16.549% * 11.3232% (0.80   1.81   0.17) =   7.303%  kept
          HN    LEU   71 - HB3   LEU   40   5.56 +/- 3.49  26.884% *  0.9253% (0.05   2.25   1.50) =   0.969%  kept
          HN    PHE   60 - HB3   LEU  115   6.72 +/- 1.27   8.817% *  0.9335% (0.57   0.21   0.02) =   0.321%  kept
          HN    LEU   71 - HB3   LEU  115  14.98 +/- 3.71   1.615% *  0.0701% (0.45   0.02   0.02) =   0.004%
          HN    THR  118 - HB3   LEU   40  14.45 +/- 3.97   1.717% *  0.0147% (0.09   0.02   0.02) =   0.001%
          HN    GLN  116 - HB3   LEU   40  16.78 +/- 3.24   0.630% *  0.0180% (0.12   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  14.85 +/- 2.60   0.756% *  0.0104% (0.07   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  18.86 +/- 3.53   0.452% *  0.0153% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 7.48, residual support = 223.5:
      O   HN    LEU  115 - HB3   LEU  115   3.34 +/- 0.28  82.363% * 98.7613% (0.90  10.0   7.49 223.81) =  99.881%  kept
          HN    ASP- 113 - HB3   LEU  115   7.30 +/- 0.58   8.282% *  1.1132% (0.28   1.0   0.73   0.02) =   0.113%  kept
          HN    PHE   97 - HB3   LEU  115  10.63 +/- 2.07   4.407% *  0.0988% (0.90   1.0   0.02   0.02) =   0.005%
          HN    PHE   97 - HB3   LEU   40  10.68 +/- 1.85   3.230% *  0.0116% (0.11   1.0   0.02   1.37) =   0.000%
          HN    LEU  115 - HB3   LEU   40  16.75 +/- 3.34   1.214% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  20.53 +/- 3.24   0.504% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 0.75, residual support = 2.37:
        T HA    LYS+ 112 - HB2   LEU  115   3.78 +/- 0.74  91.228% * 95.8137% (0.69 10.00   0.75   2.37) =  99.848%  kept
          HB2   HIS  122 - HB2   LEU  115  12.92 +/- 0.93   3.229% *  3.9598% (0.41  1.00   0.52   0.02) =   0.146%  kept
          HB    THR   46 - HB2   LEU  115  11.38 +/- 2.14   4.027% *  0.0736% (0.20  1.00   0.02   0.02) =   0.003%
          HB2   HIS   22 - HB2   LEU  115  21.18 +/- 4.77   1.516% *  0.1529% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.945, support = 1.9, residual support = 7.08:
          QE    PHE   95 - HB2   LEU  115   3.44 +/- 1.06  73.542% * 37.0520% (0.98   1.50   7.67) =  69.337%  kept
          QD    PHE   55 - HB2   LEU  115   8.01 +/- 3.15  19.567% * 61.4767% (0.87   2.81   5.76) =  30.610%  kept
          HN    LEU   67 - HB2   LEU  115  13.74 +/- 2.62   2.930% *  0.3260% (0.65   0.02   0.02) =   0.024%
          HE3   TRP   27 - HB2   LEU  115  17.13 +/- 3.39   1.228% *  0.4036% (0.80   0.02   0.02) =   0.013%
          HN    THR   23 - HB2   LEU  115  19.93 +/- 3.79   0.755% *  0.4864% (0.97   0.02   0.02) =   0.009%
          HD1   TRP   49 - HB2   LEU  115  16.29 +/- 2.25   1.453% *  0.1556% (0.31   0.02   0.02) =   0.006%
          HD2   HIS   22 - HB2   LEU  115  20.54 +/- 4.36   0.525% *  0.0997% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 7.21, residual support = 94.3:
          HN    GLN  116 - HB2   LEU  115   3.65 +/- 0.43  51.460% * 80.8563% (0.80   7.58 102.00) =  90.679%  kept
          HN    GLU- 114 - HB2   LEU  115   4.87 +/- 0.40  23.047% * 17.5456% (0.34   3.86  20.84) =   8.813%  kept
          HN    THR  118 - HB2   LEU  115   5.53 +/- 0.45  17.153% *  1.2368% (0.98   0.09   0.17) =   0.462%  kept
          HN    PHE   60 - HB2   LEU  115   7.46 +/- 1.38   8.082% *  0.2612% (0.98   0.02   0.02) =   0.046%
          HN    GLU-  15 - HB2   LEU  115  22.92 +/- 2.99   0.258% *  0.1000% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 7.31, residual support = 223.4:
      O   HN    LEU  115 - HB2   LEU  115   2.35 +/- 0.33  93.113% * 96.9435% (0.90  10.0   7.32 223.81) =  99.817%  kept
          HN    ASP- 113 - HB2   LEU  115   6.11 +/- 0.70   5.546% *  2.9596% (0.28   1.0   1.97   0.02) =   0.182%  kept
          HN    PHE   97 - HB2   LEU  115  11.24 +/- 1.99   1.341% *  0.0969% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.604, support = 6.26, residual support = 77.1:
      O   HN    GLN  116 - HA    LEU  115   3.58 +/- 0.05  15.519% * 66.1212% (0.82  10.0   7.87 102.00) =  61.736%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.77 +/- 0.04  33.215% * 15.4162% (0.19  10.0   3.74  43.39) =  30.807%  kept
          HN    GLU- 114 - HA    LEU  115   5.24 +/- 0.11   4.978% * 12.2062% (0.70   1.0   4.33  20.84) =   3.655%  kept
          HN    GLN  116 - HA    GLU- 114   4.44 +/- 0.47   8.963% *  3.8570% (0.22   1.0   4.26   2.02) =   2.080%  kept
          HN    THR  118 - HA    LEU  115   3.43 +/- 0.34  18.857% *  1.2558% (0.67   1.0   0.46   0.17) =   1.425%  kept
          HN    THR  118 - HA    GLU- 114   4.94 +/- 1.22  11.174% *  0.3554% (0.18   1.0   0.48   0.16) =   0.239%  kept
          HN    PHE   60 - HA    LEU  115   8.30 +/- 0.85   1.382% *  0.6019% (0.47   1.0   0.32   0.02) =   0.050%
          HN    PHE   60 - HA    ARG+  54   8.09 +/- 1.49   2.400% *  0.0214% (0.27   1.0   0.02   0.02) =   0.003%
          HN    LEU   71 - HA    ARG+  54  20.19 +/- 4.67   1.207% *  0.0170% (0.21   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HA    ARG+  54  12.28 +/- 1.63   0.473% *  0.0371% (0.46   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  13.22 +/- 2.23   0.473% *  0.0316% (0.39   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  15.43 +/- 3.61   0.425% *  0.0302% (0.37   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  14.83 +/- 1.96   0.324% *  0.0303% (0.37   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    GLU- 114  12.01 +/- 0.91   0.436% *  0.0104% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.22 +/- 3.91   0.174% *  0.0083% (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 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.684, support = 7.41, residual support = 199.6:
      O   HN    LEU  115 - HA    LEU  115   2.83 +/- 0.06  55.756% * 77.4057% (0.75  10.0   7.76 223.81) =  88.074%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.60 +/- 0.04  27.060% * 21.1786% (0.20  10.0   4.79  20.84) =  11.695%  kept
          HN    ASP- 113 - HA    GLU- 114   5.17 +/- 0.16   9.236% *  1.1928% (0.06   1.0   3.63  23.46) =   0.225%  kept
          HN    PHE   97 - HA    LEU  115  10.43 +/- 2.50   1.613% *  0.0774% (0.75   1.0   0.02   0.02) =   0.003%
          HN    ASP- 113 - HA    LEU  115   7.13 +/- 0.25   3.521% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  12.06 +/- 1.98   1.032% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  12.79 +/- 2.23   0.731% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  12.55 +/- 2.49   0.845% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  18.97 +/- 2.07   0.208% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 7.41, residual support = 222.3:
          HN    LEU  115 - HG    LEU  115   3.27 +/- 0.93  74.913% * 95.1413% (0.78   7.46 223.81) =  99.340%  kept
          HN    ASP- 113 - HG    LEU  115   6.21 +/- 1.33  11.931% *  2.8751% (0.24   0.73   0.02) =   0.478%  kept
          HN    PHE   97 - HG    LEU   40   9.59 +/- 2.27   7.544% *  1.6150% (0.26   0.37   1.37) =   0.170%  kept
          HN    PHE   97 - HG    LEU  115  12.36 +/- 1.76   2.511% *  0.2551% (0.78   0.02   0.02) =   0.009%
          HN    LEU  115 - HG    LEU   40  15.37 +/- 3.37   2.071% *  0.0866% (0.26   0.02   0.02) =   0.003%
          HN    ASP- 113 - HG    LEU   40  19.13 +/- 3.33   1.030% *  0.0269% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.12 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   9.66 +/- 1.76 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.95 A violated in 19 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.781, support = 2.08, residual support = 6.58:
          QD    PHE   55 - QD1   LEU  115   5.71 +/- 2.40  28.673% * 72.9488% (0.95   2.53   5.76) =  56.666%  kept
          QE    PHE   95 - QD1   LEU  115   2.90 +/- 0.89  61.795% * 25.8447% (0.57   1.50   7.67) =  43.267%  kept
          HE3   TRP   27 - QD1   LEU  115  14.23 +/- 2.84   2.063% *  0.5966% (0.98   0.02   0.02) =   0.033%
          HN    LEU   67 - QD1   LEU  115  10.75 +/- 2.23   4.747% *  0.1205% (0.20   0.02   0.02) =   0.015%
          HN    THR   23 - QD1   LEU  115  16.24 +/- 3.45   1.573% *  0.3202% (0.53   0.02   0.02) =   0.014%
          HN    LYS+  81 - QD1   LEU  115  17.92 +/- 2.95   1.148% *  0.1692% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.44, residual support = 29.4:
          QD    PHE   59 - QD1   LEU  115   2.62 +/- 0.81  94.144% * 98.7109% (0.95   4.45  29.39) =  99.973%  kept
          HD1   TRP   27 - QD1   LEU  115  16.28 +/- 3.86   2.956% *  0.4440% (0.95   0.02   0.02) =   0.014%
          HH2   TRP   49 - QD1   LEU  115  11.95 +/- 1.67   2.030% *  0.3921% (0.84   0.02   0.02) =   0.009%
          HE21  GLN   30 - QD1   LEU  115  15.85 +/- 2.76   0.870% *  0.4530% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.44, residual support = 7.67:
          QD    PHE   95 - QD2   LEU  115   4.83 +/- 1.15  87.678% * 99.5580% (0.84   1.44   7.67) =  99.938%  kept
          HN    ALA   47 - QD2   LEU  115  11.06 +/- 1.27  12.322% *  0.4420% (0.27   0.02   0.02) =   0.062%
    Distance limit 3.54 A violated in 7 structures by 1.28 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.76, residual support = 29.2:
          QE    PHE   59 - QD2   LEU  115   2.97 +/- 0.83  60.510% * 78.2107% (0.89   3.00  29.39) =  90.327%  kept
          HN    PHE   59 - QD2   LEU  115   4.61 +/- 1.19  32.672% * 14.7186% (0.93   0.54  29.39) =   9.178%  kept
          HN    HIS  122 - QD2   LEU  115   8.13 +/- 0.87   3.815% *  6.6051% (0.43   0.52   0.02) =   0.481%  kept
          HN    LYS+  66 - QD2   LEU  115   9.96 +/- 1.62   2.456% *  0.2534% (0.43   0.02   0.02) =   0.012%
          HH2   TRP   87 - QD2   LEU  115  17.29 +/- 2.99   0.547% *  0.2122% (0.36   0.02   0.02) =   0.002%
    Distance limit 2.97 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.97, residual support = 15.9:
        T QD1   ILE  119 - HA    GLN  116   2.56 +/- 0.75  87.014% * 99.5742% (0.61 10.00   3.97  15.93) =  99.991%  kept
          QD1   LEU   67 - HA    GLN  116  12.44 +/- 2.87   3.904% *  0.0560% (0.34  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HA    GLN  116  15.94 +/- 1.98   1.244% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    GLN  116  12.66 +/- 3.01   2.936% *  0.0616% (0.38  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HA    GLN  116  15.93 +/- 3.65   1.799% *  0.0288% (0.18  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  14.53 +/- 2.40   1.087% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  12.36 +/- 1.33   1.305% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  15.72 +/- 2.76   0.710% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.27, residual support = 101.9:
          QD2   LEU  115 - HA    GLN  116   2.53 +/- 0.46  82.049% * 98.5563% (0.92   6.27 102.00) =  99.940%  kept
          QD1   LEU   63 - HA    GLN  116   7.88 +/- 2.31  10.247% *  0.3336% (0.98   0.02   0.02) =   0.042%
          QD2   LEU   63 - HA    GLN  116   8.24 +/- 2.48   5.217% *  0.1526% (0.45   0.02   0.02) =   0.010%
          QD1   LEU   73 - HA    GLN  116  15.45 +/- 3.49   1.059% *  0.3336% (0.98   0.02   0.02) =   0.004%
          QD1   LEU  104 - HA    GLN  116  13.97 +/- 2.77   0.931% *  0.2338% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    GLN  116  20.12 +/- 3.64   0.241% *  0.3052% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    GLN  116  19.74 +/- 2.62   0.256% *  0.0849% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.09, residual support = 15.9:
          HN    ILE  119 - HA    GLN  116   3.28 +/- 0.28  97.705% * 97.6854% (0.57   3.09  15.93) =  99.981%  kept
          HN    CYS   21 - HA    GLN  116  18.89 +/- 3.93   1.240% *  1.0790% (0.97   0.02   0.02) =   0.014%
          HN    LYS+  33 - HA    GLN  116  23.96 +/- 3.78   0.361% *  0.6330% (0.57   0.02   0.02) =   0.002%
          HN    ILE   89 - HA    GLN  116  22.36 +/- 2.17   0.358% *  0.3814% (0.34   0.02   0.02) =   0.001%
          HN    SER   37 - HA    GLN  116  23.79 +/- 3.37   0.336% *  0.2213% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.65 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 = 6.76, residual support = 116.6:
      O   HN    GLN  116 - HA    GLN  116   2.74 +/- 0.06  69.698% * 88.6865% (0.98  10.0   6.90 120.50) =  96.736%  kept
          HN    THR  118 - HA    GLN  116   4.22 +/- 0.43  20.759% *  9.6690% (0.80   1.0   2.67   0.12) =   3.141%  kept
          HN    GLU- 114 - HA    GLN  116   6.66 +/- 0.35   4.923% *  1.5527% (0.84   1.0   0.41   2.02) =   0.120%  kept
          HN    PHE   60 - HA    GLN  116   7.99 +/- 1.36   3.766% *  0.0512% (0.57   1.0   0.02   0.02) =   0.003%
          HN    LEU   71 - HA    GLN  116  16.48 +/- 3.86   0.854% *  0.0406% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.721, residual support = 1.84:
          HA    ASP- 113 - HB2   GLN  116   2.80 +/- 0.66  83.597% * 37.9716% (0.49  1.00   0.75   1.92) =  95.606%  kept
        T HA    PRO   58 - HB2   GLN  116  11.03 +/- 1.29   2.301% * 51.5005% (0.41 10.00   0.12   0.02) =   3.569%  kept
          HA    ILE   56 - HB2   GLN  116   8.30 +/- 2.31  11.412% *  2.0076% (0.97  1.00   0.02   0.02) =   0.690%  kept
          HA    LEU  123 - HB2   GLN  116  12.80 +/- 0.88   1.236% *  2.0757% (1.00  1.00   0.02   0.02) =   0.077%
          HA    LEU   40 - HB2   GLN  116  19.14 +/- 3.19   0.617% *  1.1778% (0.57  1.00   0.02   0.02) =   0.022%
          HA    LYS+  99 - HB2   GLN  116  20.85 +/- 1.69   0.289% *  1.7376% (0.84  1.00   0.02   0.02) =   0.015%
          HA    ASN   35 - HB2   GLN  116  25.74 +/- 3.95   0.209% *  1.9678% (0.95  1.00   0.02   0.02) =   0.012%
          HA    GLU-  15 - HB2   GLN  116  23.61 +/- 3.61   0.206% *  0.7807% (0.38  1.00   0.02   0.02) =   0.005%
          HA    SER   13 - HB2   GLN  116  27.60 +/- 5.25   0.131% *  0.7807% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 6.94, residual support = 101.9:
          QD2   LEU  115 - HB2   GLN  116   3.36 +/- 0.74  76.831% * 97.5110% (0.45   6.95 102.00) =  99.861%  kept
          QD1   LEU   63 - HB2   GLN  116   9.49 +/- 2.39   9.331% *  0.5009% (0.80   0.02   0.02) =   0.062%
          QD2   LEU   63 - HB2   GLN  116  10.02 +/- 2.54   6.391% *  0.5774% (0.92   0.02   0.02) =   0.049%
          QD1   LEU   73 - HB2   GLN  116  16.73 +/- 3.64   2.337% *  0.5009% (0.80   0.02   0.02) =   0.016%
          QG2   VAL   41 - HB2   GLN  116  16.23 +/- 2.13   1.511% *  0.2348% (0.38   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB2   GLN  116  15.24 +/- 2.32   1.545% *  0.1393% (0.22   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   GLN  116  21.10 +/- 3.63   0.556% *  0.2572% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   GLN  116  17.18 +/- 1.53   0.916% *  0.1393% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  21.60 +/- 4.02   0.582% *  0.1393% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.96, residual support = 101.9:
          QD2   LEU  115 - HG2   GLN  116   3.69 +/- 0.77  70.554% * 98.7911% (1.00   6.97 102.00) =  99.919%  kept
          QD1   LEU   63 - HG2   GLN  116   9.00 +/- 2.43  17.565% *  0.2369% (0.84   0.02   0.02) =   0.060%
          QD2   LEU   63 - HG2   GLN  116   9.42 +/- 2.37   8.086% *  0.0707% (0.25   0.02   0.02) =   0.008%
          QD1   LEU  104 - HG2   GLN  116  15.21 +/- 2.48   1.480% *  0.2543% (0.90   0.02   0.02) =   0.005%
          QD1   LEU   73 - HG2   GLN  116  16.58 +/- 3.73   1.094% *  0.2369% (0.84   0.02   0.02) =   0.004%
          QD2   LEU   80 - HG2   GLN  116  21.06 +/- 3.89   0.678% *  0.2830% (1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG2   GLN  116  20.69 +/- 2.50   0.542% *  0.1271% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.44, residual support = 120.3:
      O   HE21  GLN  116 - HG2   GLN  116   2.95 +/- 0.58  76.275% * 99.1580% (0.65  10.0   4.45 120.50) =  99.859%  kept
          HN    ALA  120 - HG2   GLN  116   6.07 +/- 0.97  18.255% *  0.5536% (0.28   1.0   0.26   0.23) =   0.133%  kept
          HN    ALA   57 - HG2   GLN  116   9.46 +/- 2.42   5.097% *  0.1113% (0.73   1.0   0.02   0.02) =   0.007%
          HE21  GLN   90 - HG2   GLN  116  26.02 +/- 2.15   0.144% *  0.1502% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  27.14 +/- 4.00   0.229% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 6.91, residual support = 115.1:
          HN    GLN  116 - HG2   GLN  116   3.69 +/- 0.52  62.516% * 84.9015% (0.80   7.20 120.50) =  95.486%  kept
          HN    THR  118 - HG2   GLN  116   5.99 +/- 0.86  17.954% * 12.6392% (0.98   0.88   0.12) =   4.082%  kept
          HN    GLU- 114 - HG2   GLN  116   6.99 +/- 1.00  10.393% *  2.0600% (0.34   0.41   2.02) =   0.385%  kept
          HN    PHE   60 - HG2   GLN  116   8.90 +/- 2.00   8.774% *  0.2888% (0.98   0.02   0.02) =   0.046%
          HN    GLU-  15 - HG2   GLN  116  23.40 +/- 4.41   0.363% *  0.1106% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.692, support = 0.02, residual support = 0.465:
          QE    PHE   95 - HB2   GLN  116   7.40 +/- 0.89  37.992% * 15.3326% (0.76   0.02   0.02) =  47.956%  kept
          QD    PHE   55 - HB2   GLN  116   8.18 +/- 3.64  35.647% *  6.8436% (0.34   0.02   2.24) =  20.084%  kept
          HN    THR   23 - HB2   GLN  116  22.91 +/- 5.79   8.976% * 16.0651% (0.80   0.02   0.02) =  11.872%  kept
          HN    LEU   67 - HB2   GLN  116  15.80 +/- 2.47   4.657% * 20.0629% (1.00   0.02   0.02) =   7.692%  kept
          HD1   TRP   49 - HB2   GLN  116  19.54 +/- 2.87   3.920% * 16.7579% (0.84   0.02   0.02) =   5.408%  kept
          HD2   HIS   22 - HB2   GLN  116  23.11 +/- 6.09   4.359% * 13.7814% (0.69   0.02   0.02) =   4.945%  kept
          HE3   TRP   27 - HB2   GLN  116  20.78 +/- 3.71   3.155% *  5.5782% (0.28   0.02   0.02) =   1.449%  kept
          HD21  ASN   35 - HB2   GLN  116  27.54 +/- 4.18   1.294% *  5.5782% (0.28   0.02   0.02) =   0.594%  kept
    Distance limit 3.89 A violated in 15 structures by 2.09 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.43, residual support = 119.5:
      O   HN    GLN  116 - HB2   GLN  116   2.13 +/- 0.12  85.165% * 90.1686% (0.98  10.0   7.48 120.50) =  99.146%  kept
          HN    GLU- 114 - HB2   GLN  116   4.99 +/- 0.57   7.635% *  5.6815% (0.84   1.0   1.48   2.02) =   0.560%  kept
          HN    THR  118 - HB2   GLN  116   5.47 +/- 0.33   5.593% *  4.0566% (0.80   1.0   1.10   0.12) =   0.293%  kept
          HN    PHE   60 - HB2   GLN  116   9.40 +/- 1.58   1.339% *  0.0521% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  18.69 +/- 3.97   0.269% *  0.0412% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.89, residual support = 28.4:
          HN    SER  117 - HB2   GLN  116   3.45 +/- 0.40  99.253% * 99.5604% (0.98   4.89  28.45) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  22.54 +/- 3.66   0.520% *  0.3471% (0.84   0.02   0.02) =   0.002%
          HN    SER   82 - HB2   GLN  116  27.22 +/- 3.35   0.227% *  0.0925% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 28.4:
      O   HN    SER  117 - HA    GLN  116   3.57 +/- 0.05  98.907% * 99.8922% (0.98  10.0   4.89  28.45) =  99.999%  kept
          HN    GLY   16 - HA    GLN  116  20.39 +/- 3.43   0.695% *  0.0851% (0.84   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    GLN  116  26.46 +/- 3.40   0.398% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.92, support = 2.03, residual support = 5.27:
        T QB    ALA  120 - HA    SER  117   3.32 +/- 0.51  66.508% * 88.9826% (0.92 10.00   2.04   5.31) =  98.815%  kept
          HG    LEU  115 - HA    SER  117   8.05 +/- 0.83   6.240% *  6.5180% (0.92  1.00   1.46   2.28) =   0.679%  kept
          HB3   LEU  115 - HA    SER  117   7.94 +/- 0.33   5.662% *  3.2031% (0.38  1.00   1.77   2.28) =   0.303%  kept
          HD2   LYS+ 121 - HA    SER  117   7.04 +/- 1.99  14.705% *  0.7767% (0.18  1.00   0.92   0.02) =   0.191%  kept
        T QG2   THR   26 - HA    SER  117  20.76 +/- 4.78   1.733% *  0.2680% (0.28 10.00   0.02   0.02) =   0.008%
          HB3   LEU   40 - HA    SER  117  16.72 +/- 4.09   1.187% *  0.0964% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HA    SER  117  15.57 +/- 4.16   2.209% *  0.0362% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    SER  117  17.12 +/- 3.92   0.931% *  0.0469% (0.49  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    SER  117  19.76 +/- 2.75   0.377% *  0.0507% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.07 +/- 2.20   0.447% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.554, support = 1.82, residual support = 22.6:
          HE21  GLN  116 - HA    SER  117   4.96 +/- 1.57  37.161% * 81.2214% (0.65   2.10  28.45) =  74.937%  kept
          HN    ALA  120 - HA    SER  117   3.67 +/- 0.27  60.995% * 16.5272% (0.28   0.99   5.31) =  25.028%  kept
          HN    ALA   57 - HA    SER  117  13.44 +/- 1.42   1.333% *  0.8689% (0.73   0.02   0.02) =   0.029%
          HE21  GLN   90 - HA    SER  117  27.99 +/- 1.88   0.152% *  1.1729% (0.98   0.02   0.02) =   0.004%
          HD21  ASN   35 - HA    SER  117  26.46 +/- 5.09   0.360% *  0.2096% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.01 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   2.76 +/- 0.05  99.223% * 99.9049% (0.57  10.0   3.65  15.40) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  22.01 +/- 4.20   0.294% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  21.99 +/- 4.75   0.483% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.314, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.79 +/- 2.34   9.142% * 14.4446% (0.49   0.02   0.02) =  21.788%  kept
          QD    PHE   60 - QB    SER  117  11.18 +/- 1.94   8.110% * 12.2000% (0.41   0.02   0.02) =  16.323%  kept
          HN    LYS+  81 - QB    SER   48  10.31 +/- 4.20  16.679% *  5.8981% (0.20   0.02   0.02) =  16.230%  kept
          HN    LYS+  81 - QB    SER   85   7.26 +/- 0.35  21.431% *  3.4992% (0.12   0.02   0.02) =  12.372%  kept
          QE    PHE   95 - QB    SER  117   8.00 +/- 0.63  16.168% *  4.5788% (0.15   0.02   0.02) =  12.213%  kept
          HE3   TRP   27 - QB    SER  117  18.65 +/- 4.02   2.686% * 16.8009% (0.57   0.02   0.02) =   7.445%  kept
          QD    PHE   60 - QB    SER   48  11.83 +/- 2.63   6.747% *  3.1728% (0.11   0.02   0.02) =   3.532%  kept
          HN    LYS+  81 - QB    SER  117  24.52 +/- 2.72   0.757% * 22.6789% (0.76   0.02   0.02) =   2.832%  kept
          QD    PHE   55 - QB    SER   48  13.53 +/- 0.84   3.300% *  3.7566% (0.13   0.02   0.02) =   2.045%  kept
          HE3   TRP   27 - QB    SER   48  17.04 +/- 3.09   2.433% *  4.3694% (0.15   0.02   0.02) =   1.754%  kept
          HE3   TRP   27 - QB    SER   85  18.31 +/- 5.56   3.155% *  2.5923% (0.09   0.02   0.02) =   1.349%  kept
          QE    PHE   95 - QB    SER   48  12.53 +/- 1.15   4.476% *  1.1908% (0.04   0.02   0.02) =   0.879%  kept
          QD    PHE   60 - QB    SER   85  17.16 +/- 2.14   1.736% *  1.8824% (0.06   0.02   0.02) =   0.539%  kept
          QD    PHE   55 - QB    SER   85  19.82 +/- 3.05   1.302% *  2.2287% (0.08   0.02   0.02) =   0.479%  kept
          QE    PHE   95 - QB    SER   85  16.68 +/- 1.32   1.878% *  0.7065% (0.02   0.02   0.02) =   0.219%  kept
    Distance limit 3.95 A violated in 18 structures by 2.04 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.11, residual support = 41.0:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.11  40.99) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 24.9:
          QG1   VAL  107 - HB    THR  118   4.78 +/- 3.36  45.587% * 52.1702% (0.98   1.40   2.88) =  61.223%  kept
          HG13  ILE  119 - HB    THR  118   5.31 +/- 1.06  32.418% * 46.1726% (0.22   5.46  60.12) =  38.532%  kept
          QG1   VAL   24 - HB    THR  118  18.93 +/- 4.62   8.678% *  0.7008% (0.92   0.02   0.02) =   0.157%  kept
          HD3   LYS+ 112 - HB    THR  118  10.68 +/- 1.66   3.247% *  0.6341% (0.84   0.02   0.02) =   0.053%
          QG2   VAL   24 - HB    THR  118  18.10 +/- 4.55   9.301% *  0.1330% (0.18   0.02   0.02) =   0.032%
          HB3   LEU   31 - HB    THR  118  19.15 +/- 4.29   0.768% *  0.1893% (0.25   0.02   0.02) =   0.004%
    Distance limit 3.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.562, support = 1.74, residual support = 10.7:
          QE    PHE   59 - HB    THR  118   2.94 +/- 1.12  80.137% * 33.4853% (0.45   1.84  12.40) =  75.764%  kept
          HN    HIS  122 - HB    THR  118   7.03 +/- 0.40  14.814% * 55.1634% (0.92   1.47   5.06) =  23.073%  kept
          HN    PHE   59 - HB    THR  118   8.88 +/- 1.35   3.786% * 10.6475% (0.84   0.31  12.40) =   1.138%  kept
          HH2   TRP   87 - HB    THR  118  20.07 +/- 4.39   1.262% *  0.7038% (0.87   0.02   0.02) =   0.025%
    Distance limit 4.08 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 3.73, residual support = 40.9:
      O   HN    THR  118 - HB    THR  118   2.16 +/- 0.15  88.376% * 95.4882% (0.98  10.0   3.74  40.99) =  99.729%  kept
          HN    GLN  116 - HB    THR  118   5.26 +/- 0.40   6.830% *  2.9416% (0.80   1.0   0.75   0.12) =   0.237%  kept
          HN    PHE   60 - HB    THR  118   8.94 +/- 1.28   1.837% *  1.5003% (0.98   1.0   0.31   0.02) =   0.033%
          HN    GLU- 114 - HB    THR  118   7.35 +/- 0.93   2.824% *  0.0332% (0.34   1.0   0.02   0.16) =   0.001%
          HN    GLU-  15 - HB    THR  118  21.40 +/- 3.45   0.133% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 4.69, residual support = 41.0:
      O T QG2   THR  118 - HA    THR  118   2.65 +/- 0.18 100.000% *100.0000% (0.14  10.0 10.00   4.69  40.99) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.852, support = 0.02, residual support = 56.7:
        T QG2   ILE  119 - HA    THR  118   5.90 +/- 0.16  48.992% * 82.9340% (0.87 10.00   0.02  60.12) =  94.350%  kept
          QD2   LEU   71 - HA    THR  118  13.33 +/- 4.97  24.177% *  6.2402% (0.65  1.00   0.02   0.02) =   3.503%  kept
          QD1   ILE  103 - HA    THR  118  13.33 +/- 3.84   8.715% *  7.1780% (0.75  1.00   0.02   0.02) =   1.453%  kept
          QG2   ILE  103 - HA    THR  118  11.75 +/- 4.50  14.018% *  1.5050% (0.16  1.00   0.02   0.02) =   0.490%  kept
          HG3   LYS+  74 - HA    THR  118  17.12 +/- 3.40   4.098% *  2.1428% (0.22  1.00   0.02   0.02) =   0.204%  kept
    Distance limit 3.28 A violated in 16 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.396, support = 4.8, residual support = 43.5:
        T HG13  ILE  119 - HA    THR  118   6.38 +/- 0.78  32.899% * 76.7764% (0.20 10.00   6.23  60.12) =  70.961%  kept
          QG1   VAL  107 - HA    THR  118   6.49 +/- 3.50  45.867% * 22.4708% (0.88  1.00   1.33   2.88) =  28.955%  kept
          HD3   LYS+ 112 - HA    THR  118  12.68 +/- 1.56   3.948% *  0.2880% (0.75  1.00   0.02   0.02) =   0.032%
          QG1   VAL   24 - HA    THR  118  20.44 +/- 4.79   3.021% *  0.3183% (0.83  1.00   0.02   0.02) =   0.027%
          QG2   VAL   24 - HA    THR  118  19.48 +/- 4.96  12.655% *  0.0604% (0.16  1.00   0.02   0.02) =   0.021%
          HB3   LEU   31 - HA    THR  118  20.09 +/- 4.76   1.610% *  0.0860% (0.22  1.00   0.02   0.02) =   0.004%
    Distance limit 3.57 A violated in 6 structures by 0.96 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.462, support = 2.67, residual support = 7.1:
        T HB3   LYS+ 121 - HA    THR  118   3.59 +/- 0.69  41.790% * 63.2826% (0.22 10.00   2.58   7.11) =  64.047%  kept
          HD2   LYS+ 121 - HA    THR  118   3.72 +/- 1.59  41.632% * 35.6124% (0.89  1.00   2.83   7.11) =  35.907%  kept
          QD    LYS+  66 - HA    THR  118  13.15 +/- 3.50   3.346% *  0.1843% (0.65  1.00   0.02   0.02) =   0.015%
          HG2   LYS+  65 - HA    THR  118  16.04 +/- 2.53   1.476% *  0.2538% (0.90  1.00   0.02   0.02) =   0.009%
          HB3   LEU   40 - HA    THR  118  13.09 +/- 4.39   6.431% *  0.0565% (0.20  1.00   0.02   0.02) =   0.009%
          QG2   THR   26 - HA    THR  118  18.72 +/- 4.24   1.084% *  0.2515% (0.89  1.00   0.02   0.02) =   0.007%
          HB2   LYS+  74 - HA    THR  118  17.37 +/- 2.75   0.574% *  0.2120% (0.75  1.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HA    THR  118  13.38 +/- 5.19   1.242% *  0.0633% (0.22  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    THR  118  11.72 +/- 1.96   1.201% *  0.0444% (0.16  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  17.16 +/- 3.17   1.224% *  0.0392% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 5.77, residual support = 59.9:
        T HB    ILE  119 - HA    THR  118   5.61 +/- 0.23  56.764% * 96.0700% (0.69 10.00   5.79  60.12) =  99.612%  kept
          HB    VAL  108 - HA    THR  118  13.71 +/- 3.39   5.799% *  3.3263% (0.85  1.00   0.56   0.02) =   0.352%  kept
          HB2   PRO   93 - HA    THR  118  14.29 +/- 1.28   3.950% *  0.1189% (0.85  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - HA    THR  118  19.24 +/- 4.30   3.185% *  0.0961% (0.69  1.00   0.02   0.02) =   0.006%
          HB2   ARG+  54 - HA    THR  118  18.43 +/- 2.33   2.458% *  0.1232% (0.88  1.00   0.02   0.02) =   0.006%
          HG3   GLN   30 - HA    THR  118  20.19 +/- 4.94   3.896% *  0.0564% (0.40  1.00   0.02   0.02) =   0.004%
          HG2   PRO   58 - HA    THR  118  12.31 +/- 2.01   7.994% *  0.0220% (0.16  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - HA    THR  118  16.03 +/- 3.79   8.647% *  0.0194% (0.14  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HA    THR  118  20.47 +/- 4.45   1.493% *  0.0864% (0.62  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  22.80 +/- 4.98   3.662% *  0.0280% (0.20  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    THR  118  20.41 +/- 2.55   1.445% *  0.0220% (0.16  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    THR  118  29.71 +/- 5.24   0.707% *  0.0313% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 13 structures by 1.65 A, kept.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.446, support = 0.02, residual support = 53.6:
        T HG12  ILE  119 - HA    THR  118   5.77 +/- 0.29  61.490% * 44.9828% (0.40 10.00   0.02  60.12) =  89.221%  kept
          HB3   PHE   72 - HA    THR  118  14.86 +/- 4.18  13.123% *  8.7032% (0.78  1.00   0.02   0.02) =   3.684%  kept
          QG    GLU-  14 - HA    THR  118  20.15 +/- 4.83  11.761% *  9.2620% (0.83  1.00   0.02   0.02) =   3.514%  kept
          HB2   ASP-  44 - HA    THR  118  12.76 +/- 1.28   6.234% *  9.4912% (0.85  1.00   0.02   0.02) =   1.909%  kept
          QG    GLU-  15 - HA    THR  118  18.95 +/- 3.82   3.178% *  9.9446% (0.89  1.00   0.02   0.02) =   1.020%  kept
          QG    GLN   90 - HA    THR  118  22.47 +/- 1.34   1.119% *  8.0341% (0.72  1.00   0.02   0.02) =   0.290%  kept
          QB    MET   11 - HA    THR  118  26.41 +/- 4.65   0.997% *  8.0341% (0.72  1.00   0.02   0.02) =   0.258%  kept
          HB2   GLU-  29 - HA    THR  118  24.42 +/- 5.19   2.098% *  1.5481% (0.14  1.00   0.02   0.02) =   0.105%  kept
    Distance limit 3.96 A violated in 13 structures by 1.70 A, kept.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.95, residual support = 41.0:
      O T HB    THR  118 - HA    THR  118   3.01 +/- 0.07  94.551% * 99.8099% (0.72  10.0 10.00   3.95  40.99) =  99.998%  kept
          HA    PHE   60 - HA    THR  118  10.92 +/- 1.58   2.646% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    THR  118  17.39 +/- 4.43   1.144% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  22.43 +/- 5.12   0.871% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  20.60 +/- 4.25   0.503% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  21.99 +/- 2.69   0.286% *  0.0512% (0.37   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 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 9.09:
          QD    PHE   59 - HA    THR  118   6.71 +/- 0.86  73.068% * 25.6201% (0.85   0.02  12.40) =  73.229%  kept
          HD1   TRP   27 - HA    THR  118  21.43 +/- 5.36  16.931% * 25.6201% (0.85   0.02   0.02) =  16.969%  kept
          HE21  GLN   30 - HA    THR  118  19.05 +/- 4.38   6.922% * 26.1376% (0.87   0.02   0.02) =   7.077%  kept
          HH2   TRP   49 - HA    THR  118  20.88 +/- 2.78   3.079% * 22.6222% (0.75   0.02   0.02) =   2.725%  kept
    Distance limit 3.59 A violated in 18 structures by 2.97 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.453, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   7.00 +/- 0.37  81.353% * 43.4534% (0.47   0.02   0.02) =  89.621%  kept
          HE21  GLN   17 - HA    THR  118  20.28 +/- 5.00  14.262% * 16.3448% (0.18   0.02   0.02) =   5.910%  kept
          HZ2   TRP   49 - HA    THR  118  20.72 +/- 2.92   4.386% * 40.2018% (0.44   0.02   0.02) =   4.470%  kept
    Distance limit 3.99 A violated in 20 structures by 2.96 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.06, residual support = 60.1:
      O   HN    ILE  119 - HA    THR  118   3.51 +/- 0.04  97.072% * 99.6357% (0.51  10.0   7.06  60.12) =  99.997%  kept
          HN    CYS   21 - HA    THR  118  19.28 +/- 3.69   1.055% *  0.1698% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    THR  118  22.22 +/- 4.42   0.708% *  0.0996% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    THR  118  21.14 +/- 4.40   0.768% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  23.06 +/- 2.65   0.397% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.32, residual support = 40.9:
      O   HN    THR  118 - HA    THR  118   2.84 +/- 0.04  91.386% * 97.4797% (0.51  10.0   4.33  40.99) =  99.841%  kept
          HN    GLN  116 - HA    THR  118   6.99 +/- 0.23   6.194% *  2.2331% (0.28   1.0   0.84   0.12) =   0.155%  kept
          HN    PHE   60 - HA    THR  118  11.20 +/- 1.21   1.792% *  0.1379% (0.72   1.0   0.02   0.02) =   0.003%
          HN    GLU-  15 - HA    THR  118  21.52 +/- 4.49   0.628% *  0.1494% (0.78   1.0   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.389, support = 4.07, residual support = 42.7:
      O T HA    THR  118 - HB    THR  118   3.01 +/- 0.07  75.419% * 72.5672% (0.38  10.0 10.00   3.95  40.99) =  91.138%  kept
          HA    ILE  119 - HB    THR  118   4.78 +/- 0.27  19.681% * 27.0206% (0.53   1.0  1.00   5.31  60.12) =   8.856%  kept
          HD3   PRO   58 - HB    THR  118  10.91 +/- 1.60   2.260% *  0.0941% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   75 - HB    THR  118  16.17 +/- 2.16   0.723% *  0.1478% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - HB    THR  118  12.18 +/- 1.73   1.340% *  0.0298% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  20.73 +/- 2.65   0.300% *  0.0867% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  20.70 +/- 2.51   0.277% *  0.0538% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.576, support = 5.16, residual support = 39.4:
          HG13  ILE  119 - QG2   THR  118   4.58 +/- 0.98  34.932% * 70.3510% (0.62   6.32  60.12) =  63.766%  kept
          QG1   VAL  107 - QG2   THR  118   4.58 +/- 3.03  48.435% * 28.7376% (0.51   3.13   2.88) =  36.117%  kept
          QG1   VAL   24 - QG2   THR  118  15.54 +/- 3.49  10.895% *  0.2908% (0.80   0.02   0.02) =   0.082%
          HD3   LYS+ 112 - QG2   THR  118  10.26 +/- 1.67   2.615% *  0.3130% (0.87   0.02   0.02) =   0.021%
          HB3   LEU   31 - QG2   THR  118  15.05 +/- 3.66   1.827% *  0.2355% (0.65   0.02   0.02) =   0.011%
          QB    ALA   20 - QG2   THR  118  12.81 +/- 2.30   1.295% *  0.0722% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.31 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.272, support = 1.59, residual support = 4.16:
        T HB3   ASP- 105 - QG2   THR  118   7.09 +/- 4.70  29.589% * 78.3058% (0.25 10.00   1.63   4.35) =  92.052%  kept
          QB    LYS+ 106 - QG2   THR  118   8.62 +/- 3.56   9.350% * 14.0780% (0.51  1.00   1.44   3.00) =   5.229%  kept
          HB3   PRO   58 - QG2   THR  118  10.18 +/- 1.73  10.459% *  5.6166% (0.62  1.00   0.47   0.02) =   2.334%  kept
          HB    ILE   56 - QG2   THR  118   9.08 +/- 1.30   9.715% *  0.3264% (0.85  1.00   0.02   0.02) =   0.126%  kept
          HB3   GLN   30 - QG2   THR  118  14.76 +/- 3.34   5.700% *  0.3330% (0.87  1.00   0.02   0.02) =   0.075%
          HB3   LYS+  38 - QG2   THR  118  15.63 +/- 3.41   3.908% *  0.3443% (0.89  1.00   0.02   0.02) =   0.053%
          HG3   PRO   68 - QG2   THR  118  10.84 +/- 3.07  14.612% *  0.0683% (0.18  1.00   0.02   0.02) =   0.040%
          HB2   MET   92 - QG2   THR  118  13.63 +/- 1.43   2.683% *  0.2993% (0.78  1.00   0.02   0.02) =   0.032%
          HG2   ARG+  54 - QG2   THR  118  13.78 +/- 2.24   5.660% *  0.0860% (0.22  1.00   0.02   0.02) =   0.019%
          QB    LYS+  33 - QG2   THR  118  15.67 +/- 2.54   2.853% *  0.1295% (0.34  1.00   0.02   0.02) =   0.015%
          HB    ILE  103 - QG2   THR  118  12.17 +/- 4.23   3.367% *  0.0768% (0.20  1.00   0.02   0.02) =   0.010%
          QB    LYS+  81 - QG2   THR  118  18.60 +/- 2.28   1.134% *  0.1815% (0.47  1.00   0.02   0.02) =   0.008%
          HB3   GLN   90 - QG2   THR  118  18.43 +/- 1.21   0.970% *  0.1547% (0.40  1.00   0.02   0.02) =   0.006%
    Distance limit 3.57 A violated in 7 structures by 1.76 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.623, support = 3.28, residual support = 26.0:
        T HB2   ASP- 105 - QG2   THR  118   7.03 +/- 4.82  34.962% * 63.2818% (0.51 10.00   1.63   4.35) =  61.059%  kept
          HG12  ILE  119 - QG2   THR  118   4.09 +/- 0.52  39.059% * 36.0829% (0.80  1.00   5.88  60.12) =  38.895%  kept
          HB3   PHE   72 - QG2   THR  118  10.40 +/- 3.33  10.636% *  0.0667% (0.44  1.00   0.02   0.02) =   0.020%
          HB2   ASP-  44 - QG2   THR  118   8.27 +/- 1.22   5.576% *  0.0514% (0.34  1.00   0.02   0.02) =   0.008%
          QG    GLU-  14 - QG2   THR  118  15.68 +/- 3.46   3.615% *  0.0563% (0.37  1.00   0.02   0.02) =   0.006%
          HG3   MET   92 - QG2   THR  118  13.63 +/- 1.39   1.105% *  0.1264% (0.83  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QG2   THR  118  18.83 +/- 3.60   0.930% *  0.1342% (0.88  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  76 - QG2   THR  118  15.38 +/- 1.93   1.275% *  0.0467% (0.31  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QG2   THR  118  14.83 +/- 2.62   1.304% *  0.0381% (0.25  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   THR  118  17.12 +/- 1.25   0.520% *  0.0775% (0.51  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  15.08 +/- 3.56   1.019% *  0.0381% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.393, support = 5.01, residual support = 49.0:
      O T HA    THR  118 - QG2   THR  118   2.65 +/- 0.18  62.963% * 41.5367% (0.34  10.0 10.00   4.69  40.99) =  57.952%  kept
        T HA    ILE  119 - QG2   THR  118   3.47 +/- 0.37  32.584% * 58.2274% (0.47   1.0 10.00   5.46  60.12) =  42.043%  kept
          HD3   PRO   58 - QG2   THR  118   9.57 +/- 1.72   2.168% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - QG2   THR  118  12.96 +/- 1.97   0.808% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - QG2   THR  118  11.29 +/- 1.58   0.943% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  17.84 +/- 2.27   0.261% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  17.21 +/- 2.33   0.274% *  0.0308% (0.25   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 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.11, residual support = 41.0:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  92.240% * 99.8099% (0.72  10.0 10.00   4.11  40.99) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   6.99 +/- 1.53   5.927% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   THR  118  13.22 +/- 3.15   0.711% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  17.69 +/- 3.86   0.562% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.00 +/- 2.98   0.301% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  16.47 +/- 2.48   0.259% *  0.0512% (0.37   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 3301 (6.83, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 1.38, residual support = 5.05:
          HD2   HIS  122 - QG2   THR  118   3.35 +/- 0.28  86.995% * 97.4758% (0.90   1.38   5.06) =  99.850%  kept
          HE22  GLN  116 - QG2   THR  118   8.64 +/- 1.00   6.524% *  1.4116% (0.89   0.02   0.12) =   0.108%  kept
          QD    PHE   45 - QG2   THR  118   9.58 +/- 1.62   4.930% *  0.5310% (0.34   0.02   0.02) =   0.031%
          HE22  GLN   17 - QG2   THR  118  16.16 +/- 3.33   1.551% *  0.5816% (0.37   0.02   0.02) =   0.011%
    Distance limit 3.12 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.847, support = 4.42, residual support = 12.4:
          QD    PHE   59 - QG2   THR  118   4.26 +/- 1.11  75.217% * 98.7048% (0.85   4.42  12.40) =  99.852%  kept
          HD1   TRP   27 - QG2   THR  118  16.04 +/- 3.94  14.990% *  0.4461% (0.85   0.02   0.02) =   0.090%
          HE21  GLN   30 - QG2   THR  118  14.32 +/- 3.13   7.627% *  0.4551% (0.87   0.02   0.02) =   0.047%
          HH2   TRP   49 - QG2   THR  118  15.99 +/- 2.48   2.166% *  0.3939% (0.75   0.02   0.02) =   0.011%
    Distance limit 3.56 A violated in 3 structures by 0.82 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.46, residual support = 60.1:
        T QG2   THR  118 - HA    ILE  119   3.47 +/- 0.37 100.000% *100.0000% (0.57 10.00   5.46  60.12) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.504, support = 4.48, residual support = 36.3:
          QB    ALA  120 - HA    ILE  119   4.98 +/- 0.04  37.979% * 51.0082% (0.45   5.21  53.45) =  62.843%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.88 +/- 0.74  24.751% * 44.4699% (0.61   3.36   7.26) =  35.706%  kept
          HG    LEU  115 - HA    ILE  119   7.70 +/- 1.21  12.766% *  3.0574% (0.45   0.31   9.71) =   1.266%  kept
          QG2   THR   26 - HA    ILE  119  17.65 +/- 3.91   4.623% *  0.3338% (0.76   0.02   0.02) =   0.050%
          HB3   LEU   40 - HA    ILE  119  12.72 +/- 3.74   5.039% *  0.3001% (0.69   0.02   0.02) =   0.049%
          QD    LYS+  66 - HA    ILE  119  10.35 +/- 3.41  10.593% *  0.1089% (0.25   0.02   0.02) =   0.037%
          HG2   LYS+  65 - HA    ILE  119  12.84 +/- 1.63   2.556% *  0.3001% (0.69   0.02   0.02) =   0.025%
          HB2   LYS+  74 - HA    ILE  119  15.47 +/- 2.47   1.692% *  0.4216% (0.97   0.02   0.02) =   0.023%
    Distance limit 3.97 A violated in 0 structures by 0.65 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 2.35, residual support = 23.6:
          QD    PHE   59 - HA    ILE  119   4.21 +/- 1.11  86.257% * 97.5920% (0.95   2.35  23.61) =  99.865%  kept
          HE21  GLN   30 - HA    ILE  119  17.81 +/- 3.93   7.240% *  0.8462% (0.97   0.02   0.02) =   0.073%
          HD1   TRP   27 - HA    ILE  119  20.79 +/- 4.88   5.323% *  0.8294% (0.95   0.02   0.02) =   0.052%
          HH2   TRP   49 - HA    ILE  119  20.53 +/- 2.47   1.179% *  0.7324% (0.84   0.02   0.02) =   0.010%
    Distance limit 3.37 A violated in 3 structures by 0.84 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.59, residual support = 267.9:
      O   HN    ILE  119 - HA    ILE  119   2.79 +/- 0.05  98.408% * 99.7485% (0.98  10.0   8.59 267.92) =  99.999%  kept
          HN    CYS   21 - HA    ILE  119  17.77 +/- 3.21   0.683% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ILE  119  20.71 +/- 3.80   0.324% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  23.37 +/- 2.40   0.191% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  21.55 +/- 3.92   0.393% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.287, support = 5.65, residual support = 44.1:
      O   HN    ALA  120 - HA    ILE  119   3.60 +/- 0.03  70.896% * 59.0649% (0.18  10.0   6.25  53.45) =  82.142%  kept
          HN    LEU  123 - HA    ILE  119   5.30 +/- 0.39  23.146% * 39.0179% (0.80   1.0   2.89   0.88) =  17.716%  kept
          HN    ALA  124 - HA    ILE  119   9.34 +/- 0.54   4.235% *  1.5800% (0.98   1.0   0.10   0.02) =   0.131%  kept
          HE21  GLN   17 - HA    ILE  119  17.90 +/- 4.29   1.723% *  0.3373% (1.00   1.0   0.02   0.02) =   0.011%
    Distance limit 4.12 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 = 2.47, residual support = 15.9:
          HA    GLN  116 - HB    ILE  119   2.81 +/- 0.66  94.883% * 96.4798% (0.84   2.47  15.93) =  99.969%  kept
          HA    VAL   70 - HB    ILE  119  14.95 +/- 3.42   2.253% *  0.7825% (0.84   0.02   0.02) =   0.019%
          HA    VAL   18 - HB    ILE  119  16.57 +/- 2.76   0.734% *  0.4266% (0.46   0.02   0.02) =   0.003%
          HB2   SER   37 - HB    ILE  119  21.08 +/- 3.32   0.467% *  0.5245% (0.56   0.02   0.02) =   0.003%
          HA1   GLY   16 - HB    ILE  119  18.58 +/- 3.94   0.615% *  0.2502% (0.27   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB    ILE  119  24.53 +/- 3.67   0.240% *  0.5888% (0.63   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    ILE  119  25.26 +/- 4.88   0.261% *  0.4590% (0.49   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  28.75 +/- 3.76   0.235% *  0.3635% (0.39   0.02   0.02) =   0.001%
          HA    SER   48 - HB    ILE  119  21.56 +/- 2.01   0.312% *  0.1251% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.515, support = 5.22, residual support = 51.9:
          HN    ALA  120 - HB    ILE  119   2.89 +/- 0.22  59.053% * 84.8244% (0.53   5.39  53.45) =  96.341%  kept
          HE21  GLN  116 - HB    ILE  119   4.02 +/- 1.01  31.779% *  4.1473% (0.22   0.64  15.93) =   2.535%  kept
          HN    LEU  123 - HB    ILE  119   6.38 +/- 0.63   5.664% * 10.1529% (0.27   1.27   0.88) =   1.106%  kept
          HN    ALA  124 - HB    ILE  119  10.06 +/- 0.79   1.395% *  0.4159% (0.69   0.02   0.02) =   0.011%
          HE21  GLN   17 - HB    ILE  119  19.41 +/- 4.80   0.551% *  0.3568% (0.60   0.02   0.02) =   0.004%
          HN    ALA   57 - HB    ILE  119  10.43 +/- 1.32   1.558% *  0.1028% (0.17   0.02   0.02) =   0.003%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 8.17, residual support = 267.9:
      O   HN    ILE  119 - HB    ILE  119   2.27 +/- 0.24  99.121% * 99.7485% (0.85  10.0   8.17 267.92) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  18.94 +/- 3.91   0.481% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  23.77 +/- 2.33   0.122% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  22.80 +/- 3.52   0.131% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  23.41 +/- 3.77   0.144% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 52.5:
          HA    ALA  120 - QG2   ILE  119   3.39 +/- 0.50  76.112% * 85.3728% (0.57   3.84  53.45) =  98.005%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.45 +/- 0.22  12.384% * 10.1851% (0.20   1.31   7.26) =   1.902%  kept
          HA    LYS+  65 - QG2   ILE  119  11.34 +/- 1.74   3.937% *  0.7438% (0.95   0.02   0.02) =   0.044%
          HA2   GLY   16 - QG2   ILE  119  15.10 +/- 3.51   1.370% *  0.7052% (0.90   0.02   0.02) =   0.015%
          HD2   PRO   52 - QG2   ILE  119  15.74 +/- 1.35   0.986% *  0.6009% (0.76   0.02   0.02) =   0.009%
          QB    SER   85 - QG2   ILE  119  22.08 +/- 2.54   0.739% *  0.7052% (0.90   0.02   0.02) =   0.008%
          HA    GLN   32 - QG2   ILE  119  20.39 +/- 3.45   0.582% *  0.4452% (0.57   0.02   0.02) =   0.004%
          HB    THR   94 - QG2   ILE  119  14.38 +/- 1.17   1.159% *  0.1961% (0.25   0.02   0.02) =   0.003%
          HA    ALA   88 - QG2   ILE  119  22.54 +/- 2.30   0.497% *  0.4137% (0.53   0.02   0.02) =   0.003%
          QB    SER   48 - QG2   ILE  119  17.90 +/- 1.46   0.678% *  0.2682% (0.34   0.02   0.02) =   0.003%
          HA    SER   48 - QG2   ILE  119  18.48 +/- 1.68   0.620% *  0.2427% (0.31   0.02   0.02) =   0.002%
          HA2   GLY   51 - QG2   ILE  119  16.22 +/- 1.75   0.937% *  0.1213% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.67 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 = 0.568, support = 5.48, residual support = 46.6:
          HN    ALA  120 - QG2   ILE  119   3.13 +/- 0.61  45.999% * 72.6212% (0.61   5.75  53.45) =  86.828%  kept
          HN    LEU  123 - QG2   ILE  119   4.50 +/- 0.52  19.282% * 25.0852% (0.31   3.90   0.88) =  12.573%  kept
          HE21  GLN  116 - QG2   ILE  119   4.16 +/- 1.09  25.605% *  0.6437% (0.25   0.12  15.93) =   0.428%  kept
          HN    ALA  124 - QG2   ILE  119   7.14 +/- 0.51   4.580% *  1.2812% (0.80   0.08   0.02) =   0.153%  kept
          HE21  GLN   17 - QG2   ILE  119  15.31 +/- 4.34   1.597% *  0.2863% (0.69   0.02   0.02) =   0.012%
          HN    ALA   57 - QG2   ILE  119   8.87 +/- 1.26   2.938% *  0.0825% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.84, residual support = 267.9:
          HN    ILE  119 - QG2   ILE  119   3.58 +/- 0.17  92.890% * 99.2718% (0.80   7.85 267.92) =  99.988%  kept
          HN    CYS   21 - QG2   ILE  119  15.59 +/- 3.69   5.576% *  0.1078% (0.34   0.02   0.02) =   0.007%
          HN    SER   37 - QG2   ILE  119  18.61 +/- 3.12   0.941% *  0.3153% (1.00   0.02   0.02) =   0.003%
          HN    ILE   89 - QG2   ILE  119  20.75 +/- 2.12   0.594% *  0.3050% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.99 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 = 0.878, support = 1.83, residual support = 9.17:
          QD2   LEU  115 - HG12  ILE  119   3.24 +/- 1.05  64.417% * 85.9684% (0.90   1.92   9.71) =  94.416%  kept
          QD1   LEU   63 - HG12  ILE  119   6.21 +/- 2.05  30.347% * 10.6688% (0.57   0.38   0.02) =   5.520%  kept
          QD1   LEU  104 - HG12  ILE  119  12.92 +/- 3.37   2.006% *  0.9980% (1.00   0.02   0.02) =   0.034%
          QD1   LEU   73 - HG12  ILE  119  14.15 +/- 3.28   1.412% *  0.5650% (0.57   0.02   0.02) =   0.014%
          QD2   LEU   80 - HG12  ILE  119  19.06 +/- 3.53   0.513% *  0.9212% (0.92   0.02   0.02) =   0.008%
          QG1   VAL   83 - HG12  ILE  119  18.86 +/- 2.67   0.493% *  0.7247% (0.73   0.02   0.02) =   0.006%
          QG2   ILE   89 - HG12  ILE  119  16.17 +/- 2.43   0.813% *  0.1540% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.874, support = 2.79, residual support = 9.05:
          QD2   LEU  115 - HG13  ILE  119   3.80 +/- 1.38  57.347% * 86.4976% (0.90   2.95   9.71) =  93.185%  kept
          QD1   LEU   63 - HG13  ILE  119   6.09 +/- 2.03  31.645% * 11.3019% (0.57   0.61   0.02) =   6.719%  kept
          QD1   LEU  104 - HG13  ILE  119  12.97 +/- 3.19   3.507% *  0.6530% (1.00   0.02   0.02) =   0.043%
          QD1   LEU   73 - HG13  ILE  119  14.00 +/- 3.30   4.301% *  0.3697% (0.57   0.02   0.02) =   0.030%
          QD2   LEU   80 - HG13  ILE  119  19.13 +/- 3.74   1.298% *  0.6028% (0.92   0.02   0.02) =   0.015%
          QG1   VAL   83 - HG13  ILE  119  19.10 +/- 2.83   0.790% *  0.4742% (0.73   0.02   0.02) =   0.007%
          QG2   ILE   89 - HG13  ILE  119  16.65 +/- 2.59   1.113% *  0.1008% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.03 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   9.59 +/- 2.43 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.73 A violated in 18 structures by 5.87 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.72, residual support = 23.6:
          QD    PHE   59 - HG13  ILE  119   2.81 +/- 0.76  92.402% * 98.4628% (0.95   3.72  23.61) =  99.956%  kept
          HD1   TRP   27 - HG13  ILE  119  20.22 +/- 4.89   5.397% *  0.5295% (0.95   0.02   0.02) =   0.031%
          HE21  GLN   30 - HG13  ILE  119  17.66 +/- 3.76   1.765% *  0.5402% (0.97   0.02   0.02) =   0.010%
          HH2   TRP   49 - HG13  ILE  119  18.93 +/- 2.27   0.436% *  0.4675% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.14, residual support = 267.9:
          HN    ILE  119 - HG13  ILE  119   3.40 +/- 0.79  96.788% * 99.2978% (0.80   8.14 267.92) =  99.994%  kept
          HN    SER   37 - HG13  ILE  119  21.25 +/- 3.41   0.783% *  0.3041% (1.00   0.02   0.02) =   0.002%
          HN    CYS   21 - HG13  ILE  119  17.13 +/- 3.44   1.978% *  0.1040% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HG13  ILE  119  22.55 +/- 2.31   0.451% *  0.2941% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.03, residual support = 23.6:
          QD    PHE   59 - HG12  ILE  119   2.71 +/- 0.74  97.072% * 99.0394% (0.84   4.03  23.61) =  99.990%  kept
          HD1   TRP   27 - HG12  ILE  119  20.44 +/- 4.69   1.021% *  0.4920% (0.84   0.02   0.02) =   0.005%
          HE21  GLN   30 - HG12  ILE  119  18.19 +/- 3.55   1.377% *  0.2867% (0.49   0.02   0.02) =   0.004%
          HH2   TRP   49 - HG12  ILE  119  18.49 +/- 2.08   0.530% *  0.1818% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.96, residual support = 267.9:
          HN    ILE  119 - HG12  ILE  119   2.73 +/- 0.44  98.777% * 99.2826% (0.80   7.96 267.92) =  99.998%  kept
          HN    SER   37 - HG12  ILE  119  21.83 +/- 3.29   0.302% *  0.3107% (1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HG12  ILE  119  17.48 +/- 3.14   0.685% *  0.1062% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG12  ILE  119  21.96 +/- 2.24   0.236% *  0.3005% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.95 +/- 2.06 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.18 A violated in 19 structures by 5.80 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.353, support = 3.72, residual support = 7.97:
          QD2   LEU  115 - QD1   ILE  119   2.63 +/- 0.95  70.432% * 55.8762% (0.40  1.00   4.36   9.71) =  82.009%  kept
        T QD1   LEU   63 - QD1   ILE  119   5.72 +/- 1.41  22.613% * 37.6272% (0.15 10.00   0.78   0.02) =  17.731%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.81 +/- 2.63   2.265% *  4.2809% (0.66 10.00   0.02   0.02) =   0.202%  kept
        T QD1   LEU   73 - QD1   ILE  119  12.22 +/- 2.89   1.778% *  0.9616% (0.15 10.00   0.02   0.02) =   0.036%
          QG1   VAL   83 - QD1   ILE  119  16.11 +/- 2.57   0.636% *  0.6218% (0.96  1.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - QD1   ILE  119  16.17 +/- 3.52   1.390% *  0.2794% (0.43  1.00   0.02   0.02) =   0.008%
          QG2   ILE   89 - QD1   ILE  119  13.78 +/- 2.20   0.886% *  0.3528% (0.55  1.00   0.02   0.02) =   0.007%
    Distance limit 2.65 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.97, residual support = 15.9:
        T HA    GLN  116 - QD1   ILE  119   2.56 +/- 0.75  88.682% * 99.4587% (0.51 10.00   3.97  15.93) =  99.988%  kept
          HA    VAL   70 - QD1   ILE  119  12.06 +/- 2.61   6.635% *  0.0995% (0.51  1.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - QD1   ILE  119  15.04 +/- 3.10   1.128% *  0.1514% (0.77  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QD1   ILE  119  17.60 +/- 2.45   0.529% *  0.1886% (0.96  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QD1   ILE  119  13.00 +/- 2.50   2.213% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  20.17 +/- 2.88   0.341% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  20.47 +/- 3.98   0.472% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.819, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119  10.30 +/- 2.05  49.595% * 81.6578% (0.96 10.00   0.02   0.02) =  81.414%  kept
        T QD    PHE   72 - QD1   ILE  119  10.08 +/- 1.89  50.405% * 18.3422% (0.21 10.00   0.02   0.02) =  18.586%  kept
    Distance limit 3.42 A violated in 19 structures by 5.40 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.591, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.75 +/- 1.14  61.090% * 23.3518% (0.47   0.02   0.02) =  51.912%  kept
          QE    PHE   72 - QD1   ILE  119   9.45 +/- 1.62  28.652% * 29.0981% (0.59   0.02   0.02) =  30.338%  kept
          HN    ALA   47 - QD1   ILE  119  12.89 +/- 1.38  10.258% * 47.5501% (0.96   0.02   0.02) =  17.750%  kept
    Distance limit 3.47 A violated in 19 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.859, support = 1.65, residual support = 17.8:
          HN    HIS  122 - QD1   ILE  119   6.19 +/- 0.49  28.143% * 98.3126% (0.87   1.67  17.70) =  98.808%  kept
          HN    PHE   59 - QD1   ILE  119   4.12 +/- 1.30  70.299% *  0.4472% (0.33   0.02  23.61) =   1.123%  kept
          HH2   TRP   87 - QD1   ILE  119  18.91 +/- 3.23   1.558% *  1.2402% (0.91   0.02   0.02) =   0.069%
    Distance limit 3.62 A violated in 1 structures by 0.46 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.02, residual support = 267.9:
          HN    ILE  119 - QD1   ILE  119   3.63 +/- 0.34  93.607% * 99.2869% (0.95   7.02 267.92) =  99.987%  kept
          HN    CYS   21 - QD1   ILE  119  14.74 +/- 3.33   3.427% *  0.2410% (0.81   0.02   0.02) =   0.009%
          HN    ILE   89 - QD1   ILE  119  18.71 +/- 2.18   0.872% *  0.2410% (0.81   0.02   0.02) =   0.002%
          HN    SER   37 - QD1   ILE  119  18.99 +/- 2.61   0.790% *  0.1866% (0.62   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE  119  19.10 +/- 3.01   1.304% *  0.0445% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.31, residual support = 27.9:
        T QD1   LEU  123 - HA    ALA  120   2.58 +/- 0.69  85.389% * 99.1996% (0.45 10.00   5.32  27.88) =  99.978%  kept
          QG1   VAL   70 - HA    ALA  120  11.99 +/- 3.91   4.573% *  0.1520% (0.69  1.00   0.02   0.02) =   0.008%
          QD1   LEU   71 - HA    ALA  120  14.90 +/- 4.22   5.770% *  0.0992% (0.45  1.00   0.02   0.02) =   0.007%
          HB3   LEU   63 - HA    ALA  120  12.48 +/- 2.39   1.744% *  0.2169% (0.98  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HA    ALA  120  14.78 +/- 2.48   0.814% *  0.1772% (0.80  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HA    ALA  120  16.74 +/- 1.56   0.561% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  15.89 +/- 5.54   1.149% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.546, support = 4.9, residual support = 21.3:
          HN    LEU  123 - HA    ALA  120   2.78 +/- 0.18  46.775% * 47.3826% (0.80   1.0   5.98  27.88) =  56.648%  kept
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.06  46.611% * 34.6778% (0.18  10.0   3.58  13.40) =  41.313%  kept
          HN    ALA  124 - HA    ALA  120   6.11 +/- 0.34   4.473% * 17.7416% (0.98   1.0   1.83   0.02) =   2.028%  kept
          HE21  GLN   17 - HA    ALA  120  19.88 +/- 5.90   2.141% *  0.1980% (1.00   1.0   0.02   0.02) =   0.011%
    Distance limit 3.30 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 = 6.43, residual support = 313.0:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.02  93.685% * 99.7700% (0.45  10.0   6.43 312.99) =  99.999%  kept
          HZ2   TRP   49 - HA    LYS+  65  20.68 +/- 4.74   5.584% *  0.0132% (0.06   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+ 121  25.10 +/- 2.80   0.147% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.71 +/- 1.71   0.584% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.913, support = 3.7, residual support = 7.18:
          HA    THR  118 - HB2   LYS+ 121   3.12 +/- 1.17  66.229% * 35.6982% (0.87   2.89   7.11) =  53.549%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.63 +/- 0.30  32.252% * 63.5809% (0.97   4.63   7.26) =  46.445%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.80 +/- 2.44   0.576% *  0.1612% (0.57   0.02   0.02) =   0.002%
          HB2   TRP   49 - HB2   LYS+ 121  24.95 +/- 2.63   0.239% *  0.2629% (0.92   0.02   0.02) =   0.001%
          HA    ALA   84 - HB2   LYS+ 121  24.41 +/- 2.92   0.204% *  0.2176% (0.76   0.02   0.02) =   0.001%
          HA    VAL   75 - HB2   LYS+ 121  18.91 +/- 2.10   0.500% *  0.0792% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.73, residual support = 7.12:
        T HA    THR  118 - HB3   LYS+ 121   3.59 +/- 0.69  72.898% * 79.8370% (0.72 10.00   2.58   7.11) =  92.076%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.48 +/- 0.47  25.125% * 19.9300% (0.81  1.00   4.49   7.26) =   7.922%  kept
          HA2   GLY  109 - HB3   LYS+ 121  17.08 +/- 2.39   0.822% *  0.0521% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  25.62 +/- 2.79   0.298% *  0.0850% (0.77  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  24.80 +/- 2.99   0.281% *  0.0703% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  19.29 +/- 2.17   0.576% *  0.0256% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.41, residual support = 313.0:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.79 +/- 0.54  99.759% * 99.9582% (0.75  10.0   6.41 312.99) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.21 +/- 2.86   0.241% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.43, residual support = 54.5:
          HN    HIS  122 - HB3   LYS+ 121   3.89 +/- 0.29  95.605% * 99.5554% (0.75   6.43  54.55) =  99.992%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.59 +/- 1.28   3.416% *  0.1178% (0.28   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   LYS+ 121  23.05 +/- 5.66   0.979% *  0.3268% (0.79   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.71, residual support = 54.5:
          HN    HIS  122 - HB2   LYS+ 121   3.36 +/- 0.21  88.384% * 99.2678% (0.41   7.71  54.55) =  99.971%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.55 +/- 0.99   8.988% *  0.2137% (0.34   0.02   0.02) =   0.022%
          HD1   TRP   27 - HB2   LYS+ 121  21.99 +/- 5.01   2.066% *  0.2137% (0.34   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB2   LYS+ 121  22.87 +/- 5.43   0.561% *  0.3049% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.93, residual support = 313.0:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.39 +/- 0.39  99.773% * 99.9061% (0.92  10.0   6.93 312.99) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.62 +/- 2.85   0.227% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.483, support = 1.53, residual support = 14.5:
          QG2   ILE  119 - HB2   HIS  122   5.10 +/- 1.09  35.687% * 72.2147% (0.53   1.74  17.70) =  81.615%  kept
          QD1   LEU   40 - HB2   HIS  122   8.56 +/- 4.80  27.007% * 11.6896% (0.20   0.75   0.33) =   9.998%  kept
          QD2   LEU   67 - HB2   HIS  122   9.96 +/- 4.53  22.152% * 11.3967% (0.41   0.35   0.02) =   7.995%  kept
          QD1   ILE  103 - HB2   HIS  122  15.67 +/- 5.38   1.639% *  4.3063% (0.34   0.16   0.02) =   0.223%  kept
          QD2   LEU   71 - HB2   HIS  122  11.82 +/- 4.17  13.514% *  0.3928% (0.25   0.02   0.02) =   0.168%  kept
    Distance limit 3.64 A violated in 0 structures by 0.31 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  11.85 +/- 6.69  27.284% * 20.0916% (0.69   0.02   0.02) =  45.679%  kept
          QD2   LEU  115 - HB2   HIS  122   9.45 +/- 1.09  24.107% * 12.0248% (0.41   0.02   0.02) =  24.155%  kept
          QD1   LEU   63 - HB2   HIS  122   8.63 +/- 2.57  30.528% *  4.5130% (0.15   0.02   0.02) =  11.480%  kept
          QD2   LEU   80 - HB2   HIS  122  20.75 +/- 3.97   6.020% * 13.1134% (0.45   0.02   0.02) =   6.578%  kept
          QG1   VAL   83 - HB2   HIS  122  21.01 +/- 3.62   2.579% * 29.1845% (1.00   0.02   0.02) =   6.271%  kept
          QG2   ILE   89 - HB2   HIS  122  20.00 +/- 2.64   2.262% * 16.5597% (0.57   0.02   0.02) =   3.121%  kept
          QD1   LEU   73 - HB2   HIS  122  15.61 +/- 3.17   7.221% *  4.5130% (0.15   0.02   0.02) =   2.715%  kept
    Distance limit 4.21 A violated in 13 structures by 2.17 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 76.2:
      O   HD2   HIS  122 - HB2   HIS  122   3.90 +/- 0.20  86.864% * 99.8219% (1.00  10.0   3.88  76.25) =  99.991%  kept
          HE22  GLN  116 - HB2   HIS  122  11.76 +/- 1.93   4.028% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          HE22  GLN   17 - HB2   HIS  122  17.76 +/- 4.42   7.556% *  0.0410% (0.41   1.0   0.02   0.02) =   0.004%
          QD    PHE   45 - HB2   HIS  122  16.32 +/- 2.56   1.552% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 5.99, residual support = 76.2:
      O   HN    HIS  122 - HB2   HIS  122   3.58 +/- 0.25  87.300% * 99.7165% (0.41  10.0   5.99  76.25) =  99.988%  kept
          QD    PHE   59 - HB2   HIS  122   7.78 +/- 1.79  10.612% *  0.0827% (0.34   1.0   0.02   0.02) =   0.010%
          HD1   TRP   27 - HB2   HIS  122  21.80 +/- 4.88   1.518% *  0.0827% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   HIS  122  24.22 +/- 5.28   0.570% *  0.1181% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.91 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 = 76.2:
      O   HD2   HIS  122 - HB3   HIS  122   2.97 +/- 0.27  94.036% * 99.8219% (1.00  10.0   4.27  76.25) =  99.995%  kept
          HE22  GLN  116 - HB3   HIS  122  10.41 +/- 1.92   3.229% *  0.0996% (1.00   1.0   0.02   0.02) =   0.003%
          HE22  GLN   17 - HB3   HIS  122  17.99 +/- 4.29   2.000% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HB3   HIS  122  15.89 +/- 2.37   0.734% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 76.3:
      O   HN    HIS  122 - HB3   HIS  122   2.64 +/- 0.29  97.384% * 99.8567% (0.90  10.0   6.60  76.25) =  99.999%  kept
          HN    PHE   59 - HB3   HIS  122  10.42 +/- 2.09   2.312% *  0.0380% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB3   HIS  122  23.98 +/- 5.29   0.305% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.438, support = 1.32, residual support = 12.4:
          QG2   ILE  119 - HB3   HIS  122   3.98 +/- 1.13  42.728% * 51.8131% (0.53  1.00   1.74  17.70) =  69.683%  kept
        T QD1   LEU   40 - HB3   HIS  122   8.91 +/- 4.39  20.119% * 38.9730% (0.20 10.00   0.35   0.33) =  24.680%  kept
          QD2   LEU   67 - HB3   HIS  122  10.23 +/- 4.40  20.382% *  8.5439% (0.41  1.00   0.37   0.02) =   5.481%  kept
          QD2   LEU   71 - HB3   HIS  122  12.07 +/- 4.37  14.791% *  0.2829% (0.25  1.00   0.02   0.02) =   0.132%  kept
          QD1   ILE  103 - HB3   HIS  122  15.56 +/- 5.04   1.980% *  0.3870% (0.34  1.00   0.02   0.02) =   0.024%
    Distance limit 3.71 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.662, support = 3.05, residual support = 25.8:
          HA    ALA  120 - HG    LEU  123   2.95 +/- 0.89  77.766% * 65.2184% (0.68  1.00   3.14  27.88) =  91.267%  kept
          HA    LYS+ 121 - HG    LEU  123   6.68 +/- 0.80  15.322% * 31.5504% (0.47  1.00   2.19   4.39) =   8.699%  kept
          HA    LYS+  65 - HG    LEU  123  16.68 +/- 3.40   1.564% *  0.3504% (0.57  1.00   0.02   0.02) =   0.010%
          QB    SER  117 - HG    LEU  123   9.24 +/- 0.70   3.335% *  0.1431% (0.23  1.00   0.02   0.02) =   0.009%
          HA2   GLY   16 - HG    LEU  123  19.08 +/- 5.33   0.811% *  0.3763% (0.62  1.00   0.02   0.02) =   0.005%
        T HD2   PRO   52 - HG    LEU  123  23.51 +/- 2.13   0.243% *  1.0461% (0.17 10.00   0.02   0.02) =   0.005%
          HB    THR   94 - HG    LEU  123  21.01 +/- 1.42   0.357% *  0.3206% (0.52  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG    LEU  123  25.41 +/- 2.16   0.198% *  0.3639% (0.60  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG    LEU  123  24.10 +/- 2.49   0.243% *  0.2545% (0.42  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG    LEU  123  29.77 +/- 3.58   0.160% *  0.3763% (0.62  1.00   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.81, residual support = 203.9:
          HN    LEU  123 - HG    LEU  123   3.61 +/- 0.24  94.167% * 99.5544% (0.36   5.81 203.94) =  99.991%  kept
          HE21  GLN   17 - HG    LEU  123  20.11 +/- 6.15   5.510% *  0.1288% (0.14   0.02   0.02) =   0.008%
          HZ2   TRP   49 - HG    LEU  123  25.69 +/- 2.65   0.323% *  0.3168% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 3.07, residual support = 25.8:
          HA    ALA  120 - HB3   LEU  123   3.63 +/- 0.58  77.870% * 63.7343% (0.99   3.14  27.88) =  91.024%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.58 +/- 0.65  14.328% * 34.0282% (0.69   2.42   4.39) =   8.942%  kept
          HA2   GLY   16 - HB3   LEU  123  19.19 +/- 5.66   1.639% *  0.3677% (0.90   0.02   0.02) =   0.011%
          QB    SER  117 - HB3   LEU  123  10.24 +/- 0.53   3.742% *  0.1399% (0.34   0.02   0.02) =   0.010%
          HA    LYS+  65 - HB3   LEU  123  17.45 +/- 2.89   1.013% *  0.3425% (0.84   0.02   0.02) =   0.006%
          HB    THR   94 - HB3   LEU  123  22.35 +/- 1.62   0.387% *  0.3133% (0.76   0.02   0.02) =   0.002%
          QB    SER   48 - HB3   LEU  123  26.62 +/- 2.20   0.241% *  0.3556% (0.87   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   LEU  123  30.88 +/- 3.40   0.203% *  0.3677% (0.90   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   LEU  123  25.62 +/- 2.40   0.278% *  0.2487% (0.61   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB3   LEU  123  25.05 +/- 1.86   0.300% *  0.1022% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.919, support = 5.63, residual support = 175.8:
      O   HN    LEU  123 - HB3   LEU  123   3.38 +/- 0.44  41.114% * 88.3740% (0.98  10.0   5.81 203.94) =  85.322%  kept
          HN    ALA  124 - HB3   LEU  123   3.19 +/- 0.43  54.027% * 11.5641% (0.57   1.0   4.53  11.99) =  14.671%  kept
          HE21  GLN   17 - HB3   LEU  123  20.38 +/- 6.62   4.858% *  0.0619% (0.69   1.0   0.02   0.02) =   0.007%
    Distance limit 3.28 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 = 0.868, support = 2.82, residual support = 18.4:
          HA    ALA  120 - HB2   LEU  123   2.41 +/- 0.69  83.379% * 18.3724% (0.99  1.00   3.18  27.88) =  59.721%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.38 +/- 0.47  12.888% * 80.1143% (0.69 10.00   2.28   4.39) =  40.253%  kept
        T HA    LYS+  65 - HB2   LEU  123  16.98 +/- 2.49   0.493% *  0.9742% (0.84 10.00   0.02   0.02) =   0.019%
          QB    SER  117 - HB2   LEU  123   9.12 +/- 0.66   2.044% *  0.0398% (0.34  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HB2   LEU  123  19.05 +/- 5.35   0.552% *  0.1046% (0.90  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   LEU  123  21.25 +/- 1.51   0.232% *  0.0891% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   LEU  123  25.91 +/- 2.33   0.108% *  0.1012% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  30.06 +/- 3.22   0.076% *  0.1046% (0.90  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  24.91 +/- 2.75   0.106% *  0.0707% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.27 +/- 2.26   0.122% *  0.0291% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.967, support = 6.22, residual support = 197.7:
      O   HN    LEU  123 - HB2   LEU  123   2.40 +/- 0.33  76.814% * 89.1527% (0.98  10.0   6.29 203.94) =  96.759%  kept
          HN    ALA  124 - HB2   LEU  123   4.11 +/- 0.26  21.257% * 10.7848% (0.57   1.0   4.19  11.99) =   3.239%  kept
          HE21  GLN   17 - HB2   LEU  123  20.17 +/- 6.31   1.929% *  0.0625% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.32 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 = 0.556, support = 5.29, residual support = 27.3:
        T HA    ALA  120 - QD1   LEU  123   2.58 +/- 0.69  70.257% * 91.8077% (0.57 10.00   5.32  27.88) =  97.309%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.00 +/- 0.85  26.060% *  6.8257% (0.20  1.00   4.25   4.39) =   2.684%  kept
          HA    LYS+  65 - QD1   LEU  123  12.87 +/- 2.70   1.486% *  0.1534% (0.95  1.00   0.02   0.02) =   0.003%
        T HA    SER   48 - QD1   LEU  123  21.51 +/- 2.04   0.200% *  0.5005% (0.31 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  123  15.08 +/- 4.22   0.558% *  0.1454% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD1   LEU  123  19.06 +/- 1.93   0.233% *  0.1239% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  24.21 +/- 2.76   0.148% *  0.1454% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  20.73 +/- 4.14   0.211% *  0.0918% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.59 +/- 1.77   0.211% *  0.0553% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.91 +/- 1.35   0.288% *  0.0404% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  25.08 +/- 2.52   0.108% *  0.0853% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.55 +/- 2.23   0.239% *  0.0250% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.576, support = 1.83, residual support = 9.2:
      O   HN    ALA  124 - QB    ALA  124   2.27 +/- 0.31  89.536% * 79.2058% (0.57  10.0   1.80   9.13) =  97.513%  kept
          HN    LEU  123 - QB    ALA  124   5.53 +/- 0.36   8.733% * 20.6876% (0.98   1.0   2.72  11.99) =   2.484%  kept
          HE21  GLN   17 - QB    ALA  124  17.83 +/- 5.51   1.731% *  0.1066% (0.69   1.0   0.02   0.02) =   0.003%
    Distance limit 3.46 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 = 9.18:
      O   HN    ALA  124 - HA    ALA  124   2.66 +/- 0.26  83.348% * 88.8877% (0.98  10.0   1.80   9.13) =  98.490%  kept
          HN    LEU  123 - HA    ALA  124   5.64 +/- 0.41  10.338% * 10.9597% (0.80   1.0   2.72  11.99) =   1.506%  kept
          HE21  GLN   17 - HA    ALA  124  20.67 +/- 6.70   2.037% *  0.1006% (1.00   1.0   0.02   0.02) =   0.003%
          HN    ALA  120 - HA    ALA  124   9.93 +/- 0.58   1.827% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.88 +/- 6.08   1.014% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  15.95 +/- 2.88   0.559% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.52 +/- 4.75   0.574% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  20.43 +/- 3.78   0.302% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 4.74, residual support = 68.3:
      O   HN    ALA  124 - HA    LEU  123   2.27 +/- 0.03  63.709% * 55.0021% (0.98  10.0   4.11  11.99) =  70.659%  kept
      O   HN    LEU  123 - HA    LEU  123   2.85 +/- 0.06  32.381% * 44.9320% (0.80  10.0   6.24 203.94) =  29.338%  kept
          HE21  GLN   17 - HA    LEU  123  19.05 +/- 6.02   1.629% *  0.0561% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ALA  120 - HA    LEU  123   6.97 +/- 0.40   2.280% *  0.0098% (0.18   1.0   0.02  27.88) =   0.000%
    Distance limit 3.28 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  16.46 +/- 4.90 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.39 A violated in 20 structures by 13.06 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.98, residual support = 23.5:
      O   HN    ILE  103 - HA    LYS+ 102   2.34 +/- 0.12  99.343% * 99.7350% (0.69  10.0   5.98  23.47) = 100.000%  kept
          HN    SER   82 - HA    LYS+ 102  23.41 +/- 6.55   0.191% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA    LYS+ 102  23.30 +/- 3.75   0.129% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.54 +/- 0.70   0.176% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  22.16 +/- 3.84   0.163% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 14.7:
      O   HN    PHE   95 - HA    THR   94   2.27 +/- 0.11 100.000% *100.0000% (0.73  10.0   3.16  14.71) = 100.000%  kept
    Distance limit 2.54 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 = 5.82, residual support = 85.3:
      O   HN    LEU   80 - HB2   LEU   80   2.84 +/- 0.59  96.543% * 99.7811% (1.00  10.0   5.82  85.32) =  99.998%  kept
          HN    CYS   53 - HB2   LEU   80  17.71 +/- 3.98   1.272% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   LEU   80  20.70 +/- 6.00   0.857% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  19.64 +/- 6.68   1.328% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.25, residual support = 85.3:
      O   HN    LEU   80 - HB3   LEU   80   3.32 +/- 0.40  95.015% * 99.7811% (1.00  10.0   6.25  85.32) =  99.996%  kept
          HN    CYS   53 - HB3   LEU   80  17.67 +/- 4.05   3.304% *  0.0946% (0.95   1.0   0.02   0.02) =   0.003%
          HN    ALA   34 - HB3   LEU   80  21.62 +/- 6.32   0.681% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  20.54 +/- 6.96   1.000% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.36, residual support = 85.0:
      O   HA    LEU   80 - HB3   LEU   80   2.81 +/- 0.15  78.426% * 95.8669% (0.98  10.0   5.38  85.32) =  99.599%  kept
          HA    ASP-  78 - HB3   LEU   80   6.86 +/- 0.32   5.661% *  2.9280% (0.61   1.0   0.99   6.27) =   0.220%  kept
          HA    THR   23 - HB3   LEU   80  15.03 +/- 8.35  12.709% *  1.0541% (0.90   1.0   0.24   0.51) =   0.177%  kept
          HB    THR   23 - HB3   LEU   80  16.89 +/- 8.01   2.942% *  0.0877% (0.90   1.0   0.02   0.51) =   0.003%
          HA    ASP- 105 - HB3   LEU   80  22.34 +/- 5.01   0.262% *  0.0633% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.447, support = 4.29, residual support = 85.3:
      O   QD2   LEU   80 - HB3   LEU   80   3.03 +/- 0.34  36.806% * 77.3053% (0.57  10.0  1.00   4.10  85.32) =  72.289%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.52 +/- 0.36  58.840% * 18.4793% (0.14  10.0  1.00   4.80  85.32) =  27.625%  kept
        T QD1   LEU   73 - HB3   LEU   80  12.28 +/- 3.63   1.325% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.042%
        T QD1   LEU   63 - HB3   LEU   80  15.30 +/- 4.15   0.672% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.022%
        T QD2   LEU   63 - HB3   LEU   80  15.81 +/- 3.91   0.684% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.019%
        T QD1   LEU  104 - HB3   LEU   80  19.72 +/- 4.27   0.182% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   LEU   80  17.87 +/- 3.16   0.235% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  14.52 +/- 4.00   0.508% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  14.32 +/- 4.83   0.748% *  0.0185% (0.14   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.88, residual support = 84.9:
      O   HA    LEU   80 - HG    LEU   80   3.52 +/- 0.50  56.209% * 96.2681% (0.63  10.0   4.90  85.32) =  99.544%  kept
          HA    THR   23 - HG    LEU   80  14.42 +/- 9.06  12.662% *  1.0585% (0.58   1.0   0.24   0.51) =   0.247%  kept
          HA    ASP-  78 - HG    LEU   80   8.25 +/- 0.45   5.324% *  1.9325% (0.39   1.0   0.65   6.27) =   0.189%  kept
          HB    THR   23 - HG    LEU   80  16.21 +/- 8.77   3.029% *  0.0881% (0.58   1.0   0.02   0.51) =   0.005%
          HA    THR   23 - HG    LEU   73   9.95 +/- 2.74   4.925% *  0.0350% (0.23   1.0   0.02   0.48) =   0.003%
          HB    THR   23 - HG    LEU   73  10.91 +/- 3.04   3.919% *  0.0350% (0.23   1.0   0.02   0.48) =   0.003%
          HB    THR   23 - HG12  ILE   19  12.09 +/- 2.49   4.330% *  0.0300% (0.20   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HG    LEU   40  12.52 +/- 2.20   1.625% *  0.0478% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.13 +/- 1.58   2.002% *  0.0300% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  15.50 +/- 3.48   1.419% *  0.0382% (0.25   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  19.39 +/- 2.52   0.474% *  0.0663% (0.44   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  22.65 +/- 5.71   0.492% *  0.0635% (0.42   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  20.06 +/- 2.71   0.414% *  0.0663% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   40  22.00 +/- 2.96   0.293% *  0.0724% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  17.96 +/- 3.50   0.697% *  0.0252% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  16.01 +/- 1.35   0.718% *  0.0236% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  20.46 +/- 6.28   0.470% *  0.0328% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  22.08 +/- 1.80   0.272% *  0.0448% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.07 +/- 2.42   0.379% *  0.0216% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.86 +/- 4.27   0.347% *  0.0203% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.191, support = 5.2, residual support = 145.7:
          HN    LEU   73 - HG    LEU   73   2.93 +/- 0.74  34.016% * 41.3408% (0.20   5.69 173.04) =  69.337%  kept
          HN    ILE   19 - HG12  ILE   19   2.73 +/- 0.69  38.165% *  7.8714% (0.03   6.26 171.51) =  14.812%  kept
          HN    VAL   42 - HG    LEU   40   5.42 +/- 1.13   7.489% * 32.4798% (0.37   2.36   1.74) =  11.992%  kept
          HN    LEU   73 - HG12  ILE   19   7.03 +/- 4.37   6.861% *  5.1027% (0.17   0.82   4.64) =   1.726%  kept
          HN    VAL   42 - HG    LEU   73   7.98 +/- 2.42   3.429% *  7.4323% (0.20   1.02   0.19) =   1.256%  kept
          HN    ILE   19 - HG    LEU   73   7.78 +/- 4.78   4.749% *  3.5142% (0.04   2.39   4.64) =   0.823%  kept
          HN    LEU   73 - HG    LEU   40   9.83 +/- 2.39   1.167% *  0.2756% (0.37   0.02   0.02) =   0.016%
          HN    LEU   73 - HG    LEU   80  15.25 +/- 4.45   0.564% *  0.3662% (0.49   0.02   0.02) =   0.010%
          HN    VAL   42 - HG12  ILE   19   9.57 +/- 3.33   1.542% *  0.1246% (0.17   0.02   0.02) =   0.009%
          HN    LYS+ 106 - HG    LEU   40  13.35 +/- 1.84   0.341% *  0.3012% (0.41   0.02   0.02) =   0.005%
          HN    VAL   42 - HG    LEU   80  16.51 +/- 4.62   0.279% *  0.3662% (0.49   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HG    LEU   80  21.88 +/- 5.48   0.131% *  0.4003% (0.54   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   40  11.75 +/- 3.04   0.687% *  0.0556% (0.08   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   73  17.74 +/- 3.63   0.198% *  0.1589% (0.21   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   80  18.90 +/- 8.26   0.296% *  0.0739% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.43 +/- 2.08   0.086% *  0.1362% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.75 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   2.83 +/- 0.29  79.000% * 93.3197% (0.76  10.0 10.00   6.03 174.46) =  98.943%  kept
          HA    LEU   40 - HB3   LYS+  99   6.98 +/- 3.62  16.784% *  4.6530% (0.65   1.0  1.00   1.18   9.75) =   1.048%  kept
          HA    ASN   35 - HB3   LYS+  99  11.61 +/- 2.83   2.238% *  0.1095% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ILE   56 - HB3   LYS+  99  23.25 +/- 2.54   0.170% *  1.1272% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASP- 113 - HB3   LYS+  99  21.37 +/- 1.67   0.207% *  0.5020% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  18.60 +/- 7.29   0.775% *  0.1197% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  19.16 +/- 3.37   0.331% *  0.0547% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.70 +/- 3.10   0.248% *  0.0594% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.80 +/- 4.27   0.246% *  0.0547% (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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.86, residual support = 174.4:
      O   HN    LYS+  99 - HB3   LYS+  99   2.95 +/- 0.36  91.463% * 99.4797% (0.31  10.0   3.86 174.46) =  99.989%  kept
          HE1   HIS  122 - HB3   LYS+  99  14.63 +/- 7.74   6.443% *  0.0804% (0.25   1.0   0.02   0.02) =   0.006%
          HN    ASN   35 - HB3   LYS+  99  12.60 +/- 2.38   1.605% *  0.2692% (0.84   1.0   0.02   0.02) =   0.005%
          HN    ALA   12 - HB3   LYS+  99  25.78 +/- 4.74   0.178% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  21.52 +/- 4.10   0.312% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 1.97, residual support = 18.7:
        T QD1   LEU  104 - HB3   LYS+  99   2.79 +/- 0.55  96.042% * 97.6759% (0.41 10.00   1.97  18.67) =  99.984%  kept
        T QG2   ILE   89 - HB3   LYS+  99  18.89 +/- 3.34   0.551% *  2.0136% (0.84 10.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - HB3   LYS+  99  17.54 +/- 5.18   1.440% *  0.2091% (0.87  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB3   LYS+  99  18.76 +/- 5.03   0.967% *  0.0537% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LYS+  99  15.36 +/- 1.76   1.001% *  0.0477% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.76, support = 1.91, residual support = 9.53:
        T QD2   LEU   40 - HB3   LYS+  99   5.52 +/- 3.42  54.132% * 95.9989% (0.76 10.00   1.93   9.75) =  97.694%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.86 +/- 0.66  33.003% *  3.6878% (0.61  1.00   0.93   0.50) =   2.288%  kept
          QD1   LEU   67 - HB3   LYS+  99  11.79 +/- 3.64   5.538% *  0.0945% (0.73  1.00   0.02   0.02) =   0.010%
          HB    VAL   75 - HB3   LYS+  99  16.51 +/- 1.56   1.839% *  0.1231% (0.95  1.00   0.02   0.02) =   0.004%
          QD1   ILE  119 - HB3   LYS+  99  15.73 +/- 2.83   3.737% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB3   LYS+  99  19.39 +/- 2.37   1.752% *  0.0633% (0.49  1.00   0.02   0.02) =   0.002%
    Distance limit 3.91 A violated in 4 structures by 0.92 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.64, residual support = 174.4:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.83 +/- 0.26  92.389% * 99.4593% (0.97  10.0   5.64 174.46) =  99.994%  kept
          HG2   LYS+  38 - HB3   LYS+  99  11.90 +/- 3.48   2.347% *  0.1028% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HB3   LYS+  99  13.88 +/- 3.47   1.435% *  0.0708% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+  99  16.35 +/- 3.06   0.719% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.11 +/- 1.57   0.492% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  21.48 +/- 3.78   0.276% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  17.32 +/- 6.67   1.063% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.72 +/- 3.01   0.263% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.07 +/- 1.62   0.642% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  22.99 +/- 5.66   0.374% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 174.5:
      O T HB2   LYS+  99 - HA    LYS+  99   2.58 +/- 0.26  98.107% * 99.7492% (0.99  10.0 10.00   7.00 174.46) =  99.998%  kept
          HB    VAL   43 - HA    LYS+  99  11.44 +/- 1.38   1.368% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  99  18.56 +/- 3.22   0.343% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  24.56 +/- 3.55   0.181% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.708, support = 5.22, residual support = 182.5:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.57 +/- 0.27  29.743% * 58.3907% (0.99  10.0  1.00   5.21 174.46) =  56.586%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.33 +/- 0.15  37.478% * 20.0954% (0.34  10.0 10.00   5.27 174.46) =  24.539%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.58 +/- 0.24  29.016% * 19.9563% (0.34  10.0 10.00   5.20 217.29) =  18.867%  kept
        T QD    LYS+ 106 - HG3   LYS+  99  12.76 +/- 1.59   0.382% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG12  ILE   89  12.97 +/- 3.82   0.621% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+  99  19.64 +/- 1.87   0.067% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG3   LYS+  38   9.91 +/- 4.37   1.308% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  24.98 +/- 4.05   0.041% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  22.01 +/- 3.24   0.058% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.81 +/- 2.59   0.158% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  11.87 +/- 4.16   0.572% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  22.70 +/- 2.46   0.047% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.24 +/- 2.28   0.075% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  22.77 +/- 3.85   0.056% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  17.68 +/- 2.02   0.103% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  16.84 +/- 3.60   0.169% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  29.17 +/- 4.38   0.024% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  18.41 +/- 1.69   0.084% *  0.0011% (0.02   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.43, residual support = 174.4:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.82 +/- 0.26  89.634% * 97.9462% (0.99  10.0 10.00   6.43 174.46) =  99.976%  kept
        T HB    VAL   43 - HG12  ILE   89  12.21 +/- 3.11   2.121% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   43 - HG3   LYS+  99  14.19 +/- 1.34   0.824% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LYS+  99 - HG3   LYS+  38  11.75 +/- 4.32   2.956% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+  81 - HG12  ILE   89  10.22 +/- 2.16   2.624% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG12  ILE   89  22.52 +/- 3.77   0.248% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  19.99 +/- 3.83   0.384% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.99 +/- 3.72   0.142% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  18.18 +/- 1.46   0.383% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  25.68 +/- 4.28   0.157% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  18.72 +/- 3.36   0.429% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  29.09 +/- 3.44   0.099% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 5.54, residual support = 120.5:
    * O   HA    GLN  116 - HG3   GLN  116   3.10 +/- 0.73  95.600% * 99.5202% (1.00  10.0   5.54 120.50) =  99.997%  kept
          HA    VAL   70 - HG3   GLN  116  17.79 +/- 3.70   1.177% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  18.79 +/- 3.57   0.771% *  0.0684% (0.69   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   GLN  116  20.96 +/- 3.39   0.927% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  27.37 +/- 5.45   0.285% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  27.20 +/- 3.97   0.201% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  24.27 +/- 3.09   0.302% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  29.37 +/- 3.59   0.225% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  21.22 +/- 4.39   0.511% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.02, residual support = 120.5:
      O   HB2   GLN  116 - HG3   GLN  116   2.59 +/- 0.34  95.947% * 99.6757% (0.98  10.0   6.02 120.50) =  99.998%  kept
          HB2   PRO   58 - HG3   GLN  116   9.56 +/- 1.79   2.833% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG3   GLN  116  15.30 +/- 2.18   0.642% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG3   GLN  116  22.22 +/- 3.53   0.216% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  25.65 +/- 2.02   0.120% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  25.69 +/- 4.19   0.241% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 6.98, residual support = 101.9:
          QD2   LEU  115 - HG3   GLN  116   4.19 +/- 0.51  69.177% * 98.8004% (0.97   6.99 102.00) =  99.928%  kept
          QD1   LEU   63 - HG3   GLN  116   9.39 +/- 2.37  16.367% *  0.2012% (0.69   0.02   0.02) =   0.048%
          QD1   LEU  104 - HG3   GLN  116  15.61 +/- 2.44   1.746% *  0.2871% (0.98   0.02   0.02) =   0.007%
          QD2   LEU   63 - HG3   GLN  116   9.81 +/- 2.32   9.423% *  0.0452% (0.15   0.02   0.02) =   0.006%
          QD1   LEU   73 - HG3   GLN  116  17.01 +/- 3.77   1.782% *  0.2012% (0.69   0.02   0.02) =   0.005%
          QD2   LEU   80 - HG3   GLN  116  21.50 +/- 4.00   0.823% *  0.2871% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG3   GLN  116  21.10 +/- 2.69   0.683% *  0.1777% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.38 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.44, residual support = 120.5:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.412% * 99.7025% (0.98  10.0  1.00   6.44 120.50) =  99.999%  kept
        T HG2   GLU-  25 - HG3   GLN  116  28.70 +/- 7.50   0.190% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLN  116  11.56 +/- 1.39   0.398% *  0.0962% (0.95   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 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 = 4.14, residual support = 120.3:
      O   HE21  GLN  116 - HG3   GLN  116   3.24 +/- 0.57  76.705% * 99.1494% (0.69  10.0   4.14 120.50) =  99.874%  kept
          HN    ALA  120 - HG3   GLN  116   6.33 +/- 1.15  14.946% *  0.5787% (0.31   1.0   0.26   0.23) =   0.114%  kept
          HN    ALA   57 - HG3   GLN  116   9.94 +/- 2.61   7.951% *  0.1103% (0.76   1.0   0.02   0.02) =   0.012%
          HE21  GLN   90 - HG3   GLN  116  26.20 +/- 2.53   0.216% *  0.1393% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  27.58 +/- 4.30   0.181% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.698, support = 7.26, residual support = 113.2:
          HN    GLN  116 - HG3   GLN  116   3.98 +/- 0.45  60.264% * 82.0757% (0.69   7.66 120.50) =  93.919%  kept
          HN    THR  118 - HG3   GLN  116   6.35 +/- 0.69  18.737% * 15.8603% (0.92   1.10   0.12) =   5.643%  kept
          HN    GLU- 114 - HG3   GLN  116   6.96 +/- 1.07  12.900% *  1.6002% (0.25   0.41   2.02) =   0.392%  kept
          HN    PHE   60 - HG3   GLN  116   9.47 +/- 2.09   7.589% *  0.3120% (1.00   0.02   0.02) =   0.045%
          HN    GLU-  15 - HG3   GLN  116  23.71 +/- 4.63   0.509% *  0.1519% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.912, support = 6.57, residual support = 177.9:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  40.342% * 82.3359% (1.00  10.0 10.00   6.58 174.46) =  90.377%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  40.342% *  8.3101% (0.10  10.0 10.00   6.59 221.17) =   9.122%  kept
          QB    ALA   88 - HG12  ILE   89   4.98 +/- 0.60   1.989% *  5.9453% (0.28   1.0  1.00   5.17   9.39) =   0.322%  kept
          QB    ALA   84 - HG12  ILE   89   4.65 +/- 2.04   7.182% *  0.8376% (0.07   1.0  1.00   2.86  13.52) =   0.164%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  10.84 +/- 4.72   0.454% *  0.7964% (0.97   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  99 - HG3   LYS+  38  10.22 +/- 5.24   0.773% *  0.0859% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   77 - HG12  ILE   89   5.75 +/- 1.80   6.232% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - HG12  ILE   89  18.52 +/- 3.56   0.053% *  0.3089% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.54 +/- 2.97   0.019% *  0.7617% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.50 +/- 1.16   0.662% *  0.0206% (0.25   1.0  1.00   0.02  17.72) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.40 +/- 2.26   0.453% *  0.0243% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.31 +/- 3.29   0.108% *  0.0716% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.37 +/- 7.20   0.119% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.32 +/- 3.47   0.056% *  0.0501% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.42 +/- 1.82   0.046% *  0.0402% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  13.46 +/- 2.07   0.113% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.20 +/- 5.84   0.027% *  0.0599% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  21.36 +/- 6.17   0.048% *  0.0290% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  22.91 +/- 3.95   0.023% *  0.0567% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  18.29 +/- 3.36   0.058% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.35 +/- 1.68   0.039% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.93 +/- 1.34   0.114% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  11.65 +/- 1.51   0.164% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  24.32 +/- 3.91   0.019% *  0.0334% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  18.12 +/- 4.55   0.063% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.37 +/- 4.37   0.187% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  21.91 +/- 3.24   0.026% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  28.47 +/- 4.01   0.011% *  0.0323% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.65 +/- 0.57   0.022% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.17 +/- 5.55   0.078% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  18.96 +/- 2.46   0.039% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  27.12 +/- 2.20   0.012% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.52 +/- 1.22   0.026% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.68 +/- 4.98   0.016% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.01 +/- 4.51   0.012% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.69 +/- 3.68   0.014% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.25 +/- 2.10   0.026% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  24.61 +/- 3.04   0.017% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  25.78 +/- 2.12   0.014% *  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        :    113
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1272
      with multiple volume contributions     :    959
      eliminated by violation filter         :     93
 
    Peaks:
      selected                               :   2700
      without assignment                     :    120
      with assignment                        :   2580
      with unique assignment                 :   1571
      with multiple assignment               :   1009
      with reference assignment              :   1605
      with identical reference assignment    :   1032
      with compatible reference assignment   :    565
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    975
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QD1   LEU   40       2.7
    QD2   LEU   40       3.9
    QD    PHE   45       3.8
    QG2   ILE   56       2.9
    QD    PHE   59       3.4
    QD    PHE   60       3.3
    HN    LYS+  65       5.2
    HZ    PHE   72       3.6
    HA    LEU   73       3.0
    QD1   ILE   89       3.6
    HB3   MET   96       2.9
    QG1   VAL  107       2.6
    HA    THR  118       3.0
    QD1   ILE  119       3.2
 
    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 = 72.6:
        T HA    PHE   60 - QD    PHE   60   2.85 +/- 0.47  86.476% * 98.3426% (0.87 10.00   3.95  72.61) =  99.956%  kept
        T QB    SER  117 - QD    PHE   60  11.18 +/- 1.94   2.358% *  1.0168% (0.90 10.00   0.02   0.02) =   0.028%
        T QB    SER   48 - QD    PHE   60  11.83 +/- 2.63   1.906% *  0.4255% (0.38 10.00   0.02   0.02) =   0.010%
          HB    THR   94 - QD    PHE   60   9.19 +/- 2.58   4.402% *  0.0552% (0.49  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    PHE   60  10.79 +/- 2.53   2.712% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  14.31 +/- 2.00   0.911% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  13.10 +/- 1.56   1.233% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 1.04, residual support = 74.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  94.386% * 81.2362% (0.69  10.0   1.02  74.44) =  99.033%  kept
          HN    TRP   87 - HZ3   TRP   87   7.15 +/- 0.35   4.083% * 18.2967% (0.61   1.0   2.60  74.44) =   0.965%  kept
          HN    ALA   91 - HZ3   TRP   87  12.88 +/- 1.50   0.886% *  0.0716% (0.31   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  22.91 +/- 5.71   0.276% *  0.1313% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  25.73 +/- 6.42   0.131% *  0.1772% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  19.95 +/- 3.76   0.238% *  0.0870% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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  19.46 +/- 3.72 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.46 A violated in 20 structures by 14.00 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 1.17, residual support = 6.1:
          QB    ALA   20 - HE1   HIS   22   3.51 +/- 0.97  79.599% * 93.7294% (0.76   1.17   6.12) =  99.813%  kept
          HG13  ILE  119 - HE1   HIS   22  20.34 +/- 5.49  18.089% *  0.5817% (0.28   0.02   0.02) =   0.141%  kept
          QG2   VAL  107 - HE1   HIS   22  18.97 +/- 3.11   0.842% *  1.9791% (0.95   0.02   0.02) =   0.022%
          HG2   LYS+ 121 - HE1   HIS   22  24.80 +/- 4.83   0.536% *  2.0875% (1.00   0.02   0.02) =   0.015%
          HG13  ILE  103 - HE1   HIS   22  22.68 +/- 3.16   0.360% *  1.1007% (0.53   0.02   0.02) =   0.005%
          HB3   LEU   31 - HE1   HIS   22  17.89 +/- 1.21   0.574% *  0.5217% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.54 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 = 0.422, support = 4.64, residual support = 39.0:
          HN    ASN   28 - HD1   TRP   27   2.84 +/- 0.43  83.022% * 37.2104% (0.25   5.36  50.66) =  76.728%  kept
          HN    GLU-  25 - HD1   TRP   27   5.22 +/- 0.94  15.059% * 62.1581% (0.99   2.25   0.53) =  23.249%  kept
          HN    ASP-  44 - HD1   TRP   27  12.05 +/- 1.97   1.675% *  0.5456% (0.98   0.02   0.02) =   0.023%
          HN    ALA  110 - HD1   TRP   27  22.58 +/- 3.54   0.244% *  0.0859% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.38 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 = 2.35, residual support = 107.2:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.35 107.19) = 100.000%  kept
    Distance limit 4.16 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 = 1.56, residual support = 107.2:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  98.698% * 99.9800% (0.89  10.0   1.56 107.19) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  12.82 +/- 2.48   1.302% *  0.0200% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 4.18, residual support = 107.2:
          HA    TRP   27 - HE3   TRP   27   3.28 +/- 0.61  91.834% * 98.5470% (0.96   4.18 107.19) =  99.982%  kept
          HA    ALA   91 - HE3   TRP   27  19.03 +/- 3.57   1.729% *  0.4842% (0.98   0.02   0.02) =   0.009%
          HA    VAL  107 - HE3   TRP   27  17.96 +/- 2.84   0.973% *  0.4510% (0.91   0.02   0.02) =   0.005%
          HA    ALA   91 - HN    LEU   67  21.17 +/- 3.57   1.322% *  0.0753% (0.15   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LEU   67  15.56 +/- 1.70   1.218% *  0.0734% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  22.67 +/- 3.18   0.422% *  0.1833% (0.37   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  17.27 +/- 2.15   0.818% *  0.0702% (0.14   0.02   0.02) =   0.001%
          HA    ALA  110 - HE3   TRP   27  21.79 +/- 3.87   0.535% *  0.0754% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  20.33 +/- 1.94   0.530% *  0.0285% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  20.10 +/- 3.35   0.620% *  0.0117% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 107.2:
      O   HB3   TRP   27 - HE3   TRP   27   2.58 +/- 0.17  90.051% * 98.0783% (0.17  10.0   4.50 107.19) =  99.976%  kept
          QE    LYS+  99 - HE3   TRP   27  13.19 +/- 2.77   2.216% *  0.4678% (0.83   1.0   0.02   0.02) =   0.012%
          QE    LYS+  38 - HE3   TRP   27  15.09 +/- 1.95   0.534% *  0.5551% (0.98   1.0   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HE3   TRP   27  15.63 +/- 3.00   0.533% *  0.5405% (0.96   1.0   0.02   0.02) =   0.003%
          HB2   PHE   97 - HE3   TRP   27  13.66 +/- 3.25   2.718% *  0.0864% (0.15   1.0   0.02   0.02) =   0.003%
          QE    LYS+  99 - HN    LEU   67  13.60 +/- 4.54   1.272% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  15.05 +/- 3.34   0.929% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  19.56 +/- 3.83   0.362% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  14.23 +/- 3.34   0.824% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  15.29 +/- 2.25   0.560% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 0.687, support = 2.51, residual support = 12.5:
          QG1   VAL   43 - HE3   TRP   27   6.71 +/- 3.22  14.553% * 45.7188% (0.99   2.31   4.24) =  40.016%  kept
          QD2   LEU   73 - HE3   TRP   27   3.95 +/- 2.78  30.301% * 19.7170% (0.28   3.58  26.23) =  35.932%  kept
          QG1   VAL   41 - HE3   TRP   27   6.96 +/- 2.38  11.881% * 24.6824% (0.94   1.32   0.42) =  17.638%  kept
          HG    LEU   31 - HE3   TRP   27   4.87 +/- 1.07  11.844% *  8.5357% (0.41   1.05  22.06) =   6.081%  kept
          QG2   VAL   18 - HE3   TRP   27   9.28 +/- 2.00   5.910% *  0.3656% (0.91   0.02   0.02) =   0.130%  kept
          QD1   ILE   19 - HE3   TRP   27   7.05 +/- 1.67   9.169% *  0.1928% (0.48   0.02   0.02) =   0.106%  kept
          QG2   THR   46 - HE3   TRP   27  11.27 +/- 2.21   2.977% *  0.3308% (0.83   0.02   0.02) =   0.059%
          QG2   VAL   18 - HN    LEU   67   8.46 +/- 4.61   3.099% *  0.0569% (0.14   0.02   0.02) =   0.011%
          QG1   VAL   41 - HN    LEU   67  10.41 +/- 2.41   2.359% *  0.0583% (0.15   0.02   0.02) =   0.008%
          QD2   LEU  104 - HE3   TRP   27  12.78 +/- 2.61   0.717% *  0.1351% (0.34   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    LEU   67  10.09 +/- 2.83   2.522% *  0.0300% (0.08   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    LEU   67  10.68 +/- 2.08   0.916% *  0.0616% (0.15   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LEU   67   9.42 +/- 1.48   2.162% *  0.0171% (0.04   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LEU   67  12.26 +/- 2.24   0.468% *  0.0515% (0.13   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   67  16.13 +/- 3.33   0.549% *  0.0253% (0.06   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    LEU   67  14.11 +/- 3.39   0.574% *  0.0210% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.46 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 = 0.487, support = 5.67, residual support = 20.6:
          QD1   LEU   73 - HE3   TRP   27   3.55 +/- 3.31  46.684% * 48.6514% (0.37   6.78  26.23) =  70.546%  kept
          QD2   LEU   80 - HE3   TRP   27  10.99 +/- 6.71  19.708% * 46.0583% (0.76   3.15   7.34) =  28.195%  kept
          QD1   LEU  104 - HE3   TRP   27  12.93 +/- 3.48  11.029% *  3.0749% (0.94   0.17   0.02) =   1.053%  kept
          QG1   VAL   83 - HE3   TRP   27  12.11 +/- 6.14   2.896% *  1.4281% (0.89   0.08   0.02) =   0.128%  kept
          QD2   LEU  115 - HE3   TRP   27  14.46 +/- 3.36   4.198% *  0.2777% (0.72   0.02   0.02) =   0.036%
          QD1   LEU   63 - HE3   TRP   27  10.57 +/- 2.63   7.201% *  0.1436% (0.37   0.02   0.02) =   0.032%
          QD1   LEU   63 - HN    LEU   67   6.11 +/- 0.90   4.066% *  0.0223% (0.06   0.02   0.02) =   0.003%
          QG2   ILE   89 - HE3   TRP   27  14.10 +/- 4.91   0.703% *  0.1063% (0.28   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   67  13.28 +/- 3.30   0.716% *  0.0563% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   67  10.60 +/- 1.91   0.876% *  0.0432% (0.11   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  11.24 +/- 1.48   1.028% *  0.0223% (0.06   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   67  15.93 +/- 2.39   0.347% *  0.0455% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  16.74 +/- 2.72   0.281% *  0.0534% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  16.64 +/- 3.13   0.266% *  0.0165% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.658, support = 0.671, residual support = 0.769:
          QG2   VAL   75 - HE3   TRP   27   6.76 +/- 3.06  36.067% * 51.5165% (0.72   0.63   0.97) =  61.876%  kept
          QG2   VAL   42 - HE3   TRP   27   8.67 +/- 2.35  23.649% * 48.0283% (0.56   0.75   0.44) =  37.825%  kept
          QG2   VAL   42 - HN    LEU   67   7.17 +/- 1.15  23.770% *  0.1994% (0.09   0.02   0.02) =   0.158%  kept
          QG2   VAL   75 - HN    LEU   67  10.17 +/- 2.05  16.515% *  0.2558% (0.11   0.02   0.02) =   0.141%  kept
    Distance limit 4.67 A violated in 5 structures by 0.68 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.72, residual support = 35.2:
      O T HB2   HIS   22 - HD2   HIS   22   3.83 +/- 0.31  96.732% * 99.9216% (0.92  10.0 10.00   2.72  35.25) =  99.998%  kept
          HA    LEU   63 - HD2   HIS   22  17.41 +/- 3.48   2.433% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HD2   HIS   22  22.49 +/- 4.88   0.835% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.14 +/- 0.39  96.926% * 99.8217% (0.45  10.0 10.00   3.29  35.25) =  99.994%  kept
          HD3   ARG+  54 - HD2   HIS   22  22.98 +/- 6.46   3.074% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 4.77 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 = 0.806, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  10.81 +/- 4.55  39.480% * 29.7119% (0.92   0.02   0.02) =  56.931%  kept
          QB    CYS   50 - HD2   HIS   22  17.33 +/- 4.85  13.160% * 28.8658% (0.90   0.02   0.02) =  18.436%  kept
          HB3   ASP-  78 - HD2   HIS   22  16.99 +/- 5.89  12.561% * 19.5221% (0.61   0.02   0.02) =  11.902%  kept
          HB2   PHE   72 - HD2   HIS   22  12.24 +/- 2.94  27.322% *  4.9662% (0.15   0.02   0.02) =   6.585%  kept
          HB3   ASN   69 - HD2   HIS   22  20.08 +/- 2.91   7.477% * 16.9340% (0.53   0.02   0.02) =   6.145%  kept
    Distance limit 5.50 A violated in 17 structures by 3.89 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.22, residual support = 6.12:
        T QB    ALA   20 - HD2   HIS   22   3.48 +/- 0.58  95.947% * 98.9678% (0.28 10.00   2.22   6.12) =  99.991%  kept
          QG2   VAL  107 - HD2   HIS   22  18.10 +/- 3.14   1.061% *  0.3088% (0.87  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HD2   HIS   22  20.44 +/- 3.24   0.608% *  0.3435% (0.97  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HD2   HIS   22  23.96 +/- 5.10   0.611% *  0.2303% (0.65  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HD2   HIS   22  16.42 +/- 2.37   1.155% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  23.37 +/- 5.59   0.618% *  0.0792% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 5.07 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  18.70 +/- 3.48 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.44 A violated in 20 structures by 13.26 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.23, residual support = 8.49:
          HA    CYS   21 - HD2   HIS   22   3.81 +/- 0.15  92.197% * 97.4291% (0.95   3.23   8.49) =  99.957%  kept
          HA    CYS   50 - HD2   HIS   22  20.09 +/- 5.59   2.723% *  0.6029% (0.95   0.02   0.02) =   0.018%
          HA    TRP   49 - HD2   HIS   22  21.50 +/- 5.94   2.104% *  0.6373% (1.00   0.02   0.02) =   0.015%
          HA    LYS+ 102 - HD2   HIS   22  22.11 +/- 4.00   0.962% *  0.4123% (0.65   0.02   0.02) =   0.004%
          HA1   GLY  109 - HD2   HIS   22  25.79 +/- 3.01   0.353% *  0.6151% (0.97   0.02   0.02) =   0.002%
          HA    ALA   47 - HD2   HIS   22  19.09 +/- 4.57   1.137% *  0.1772% (0.28   0.02   0.02) =   0.002%
          HA    VAL  108 - HD2   HIS   22  22.76 +/- 2.87   0.524% *  0.1261% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.19 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 = 0.965, support = 3.2, residual support = 49.4:
          HA    ASN   28 - HD1   TRP   27   3.71 +/- 0.54  73.018% * 79.1390% (1.00   3.23  50.66) =  95.489%  kept
          HA    THR   26 - HD1   TRP   27   6.71 +/- 0.62  14.585% * 18.4654% (0.28   2.70  22.70) =   4.450%  kept
          HA    LEU  115 - HD1   TRP   27  19.73 +/- 4.55   2.078% *  0.4874% (0.99   0.02   0.02) =   0.017%
          HA    ALA   34 - HD1   TRP   27  12.43 +/- 0.80   2.079% *  0.4540% (0.92   0.02   0.02) =   0.016%
          HA1   GLY  101 - HD1   TRP   27  16.97 +/- 5.47   1.797% *  0.3758% (0.76   0.02   0.02) =   0.011%
          HA    LYS+  81 - HD1   TRP   27  16.53 +/- 6.22   3.640% *  0.0973% (0.20   0.02   0.02) =   0.006%
          HA    ARG+  54 - HD1   TRP   27  21.61 +/- 4.59   0.792% *  0.3378% (0.69   0.02   0.02) =   0.004%
          HA    GLU- 114 - HD1   TRP   27  22.95 +/- 4.78   0.723% *  0.2983% (0.61   0.02   0.02) =   0.004%
          HA    ALA  124 - HD1   TRP   27  27.07 +/- 5.41   0.492% *  0.2784% (0.57   0.02   0.02) =   0.002%
          HA    GLU-  36 - HD1   TRP   27  17.03 +/- 0.92   0.798% *  0.0666% (0.14   0.02   0.02) =   0.001%
    Distance limit 5.05 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 = 4.97, residual support = 23.1:
          HA    VAL   24 - HD1   TRP   27   2.77 +/- 0.84  96.548% * 99.5081% (1.00   4.97  23.09) =  99.995%  kept
          HA    LYS+  38 - HD1   TRP   27  15.80 +/- 1.11   0.917% *  0.2756% (0.69   0.02   0.02) =   0.003%
          HA    ALA   61 - HD1   TRP   27  15.79 +/- 3.08   1.693% *  0.0794% (0.20   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  18.94 +/- 3.32   0.842% *  0.1369% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.80 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 = 107.2:
      O T HB2   TRP   27 - HD1   TRP   27   2.75 +/- 0.17  97.957% * 99.7544% (0.65  10.0 10.00   3.65 107.19) =  99.997%  kept
          HA    THR   77 - HD1   TRP   27  13.70 +/- 4.25   1.614% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  20.14 +/- 3.13   0.429% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 107.2:
      O T HB3   TRP   27 - HD1   TRP   27   3.81 +/- 0.08  89.539% * 99.6316% (0.73  10.0 10.00   4.08 107.19) =  99.986%  kept
          HB2   PHE   97 - HD1   TRP   27  16.32 +/- 4.25   6.133% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PHE   60 - HD1   TRP   27  17.07 +/- 3.54   2.681% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 106 - HD1   TRP   27  16.72 +/- 4.01   1.648% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 4.89 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 = 0.719, support = 3.06, residual support = 23.1:
          QG2   VAL   24 - HD1   TRP   27   2.36 +/- 0.75  74.782% * 70.5533% (0.76  1.00   3.10  23.09) =  90.085%  kept
          QG1   VAL   24 - HD1   TRP   27   4.17 +/- 0.77  23.125% * 24.9644% (0.31  1.00   2.71  23.09) =   9.857%  kept
        T QG1   VAL  107 - HD1   TRP   27  15.78 +/- 3.40   0.781% *  3.8554% (0.65 10.00   0.02   0.02) =   0.051%
          HG    LEU   63 - HD1   TRP   27  17.01 +/- 3.64   0.992% *  0.3615% (0.61  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - HD1   TRP   27  22.51 +/- 5.44   0.173% *  0.1327% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  23.62 +/- 5.77   0.147% *  0.1327% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.695, support = 3.1, residual support = 15.4:
          QD2   LEU   80 - HD1   TRP   27  10.90 +/- 7.02  25.065% * 49.4914% (0.87   2.91   7.34) =  47.179%  kept
          QD1   LEU   73 - HD1   TRP   27   5.81 +/- 3.99  33.833% * 35.5065% (0.49   3.72  26.23) =  45.687%  kept
          QD1   LEU  104 - HD1   TRP   27  15.14 +/- 4.38  13.479% *  7.3211% (0.99   0.38   0.02) =   3.753%  kept
          QG1   VAL   83 - HD1   TRP   27  11.75 +/- 6.84  12.063% *  7.0849% (0.80   0.45   0.02) =   3.250%  kept
          QD1   LEU   63 - HD1   TRP   27  13.28 +/- 3.37  10.291% *  0.1909% (0.49   0.02   0.02) =   0.075%
          QD2   LEU  115 - HD1   TRP   27  16.66 +/- 4.34   4.213% *  0.3276% (0.84   0.02   0.02) =   0.052%
          QG2   ILE   89 - HD1   TRP   27  14.53 +/- 4.96   1.055% *  0.0776% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.48 A violated in 1 structures by 0.12 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.751, support = 1.85, residual support = 20.1:
          QD2   LEU   31 - HD1   TRP   27   4.03 +/- 0.73  69.637% * 79.1532% (0.73   2.00  22.06) =  90.916%  kept
          QG2   VAL   83 - HD1   TRP   27  11.87 +/- 6.44  27.584% * 19.8673% (1.00   0.36   0.02) =   9.039%  kept
          QD1   ILE   89 - HD1   TRP   27  14.11 +/- 4.78   2.779% *  0.9795% (0.90   0.02   0.02) =   0.045%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.279, support = 1.29, residual support = 107.0:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  96.164% * 95.2158% (0.28  10.0 10.00   1.30 107.19) =  99.800%  kept
          HZ    PHE   72 - HH2   TRP   27   9.69 +/- 2.31   3.836% *  4.7842% (0.69   1.0  1.00   0.41   0.21) =   0.200%  kept
    Distance limit 5.23 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 = 107.2:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.07 107.19) = 100.000%  kept
    Distance limit 5.50 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 = 1.56, residual support = 107.2:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  94.292% * 99.6528% (1.00  10.0   1.56 107.19) =  99.996%  kept
          HN    THR   23 - HZ3   TRP   27   9.68 +/- 1.34   2.099% *  0.0778% (0.61   1.0   0.02   1.16) =   0.002%
          QE    PHE   95 - HZ3   TRP   27  12.47 +/- 2.65   1.246% *  0.0830% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  12.82 +/- 2.48   1.244% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.38 +/- 2.46   0.247% *  0.1258% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  16.78 +/- 5.40   0.872% *  0.0286% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.892, support = 1.26, residual support = 5.99:
        T QG1   VAL   43 - HH2   TRP   27   5.16 +/- 3.93  35.108% * 79.8157% (0.92 10.00   1.21   4.24) =  88.340%  kept
          HG    LEU   31 - HH2   TRP   27   5.23 +/- 1.49  20.172% *  7.8596% (0.65  1.00   1.70  22.06) =   4.998%  kept
          QD2   LEU   73 - HH2   TRP   27   5.64 +/- 2.41  18.876% *  7.2215% (0.49  1.00   2.07  26.23) =   4.297%  kept
          QG1   VAL   41 - HH2   TRP   27   6.50 +/- 2.70  15.463% *  4.8121% (1.00  1.00   0.67   0.42) =   2.346%  kept
          QG2   VAL   18 - HH2   TRP   27  11.43 +/- 2.17   2.170% *  0.1039% (0.73  1.00   0.02   0.02) =   0.007%
          QG2   THR   46 - HH2   TRP   27  11.38 +/- 2.35   1.619% *  0.0868% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HH2   TRP   27   9.74 +/- 1.38   2.859% *  0.0398% (0.28  1.00   0.02   0.02) =   0.004%
          QD2   LEU  104 - HH2   TRP   27  11.27 +/- 3.12   2.726% *  0.0251% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HH2   TRP   27  14.95 +/- 2.60   1.007% *  0.0357% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.884, support = 1.92, residual support = 6.36:
        T QG1   VAL   43 - HZ3   TRP   27   5.48 +/- 3.47  24.226% * 85.1748% (0.92 10.00   1.93   4.24) =  86.508%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.24 +/- 2.44  29.924% *  5.3444% (0.49  1.00   2.30  26.23) =   6.705%  kept
          HG    LEU   31 - HZ3   TRP   27   5.04 +/- 1.67  17.592% *  5.6933% (0.65  1.00   1.84  22.06) =   4.199%  kept
          QG1   VAL   41 - HZ3   TRP   27   6.00 +/- 2.58  17.048% *  3.5930% (1.00  1.00   0.75   0.42) =   2.568%  kept
          QG2   VAL   18 - HZ3   TRP   27   9.86 +/- 2.30   3.360% *  0.0694% (0.73  1.00   0.02   0.02) =   0.010%
          QD1   ILE   19 - HZ3   TRP   27   8.03 +/- 1.58   4.999% *  0.0266% (0.28  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HZ3   TRP   27  11.08 +/- 2.21   1.304% *  0.0580% (0.61  1.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HZ3   TRP   27  11.60 +/- 2.52   1.157% *  0.0167% (0.18  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HZ3   TRP   27  14.69 +/- 2.48   0.389% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 5.03 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 = 0.884, support = 3.58, residual support = 25.6:
        T QD1   LEU   73 - HZ3   TRP   27   4.45 +/- 2.69  31.164% * 90.1769% (0.90 10.00   3.66  26.23) =  96.856%  kept
          QD2   LEU   80 - HZ3   TRP   27  11.41 +/- 6.01  12.038% *  4.8322% (0.53  1.00   1.83   7.34) =   2.005%  kept
          QG2   VAL   41 - HZ3   TRP   27   5.44 +/- 2.81  21.262% *  0.6688% (0.28  1.00   0.48   0.42) =   0.490%  kept
        T QD1   LEU   63 - HZ3   TRP   27   9.63 +/- 2.67   8.533% *  0.9018% (0.90 10.00   0.02   0.02) =   0.265%  kept
        T QD1   LEU  104 - HZ3   TRP   27  11.79 +/- 3.05   2.175% *  2.6375% (0.31 10.00   0.17   0.02) =   0.198%  kept
          QD1   LEU   80 - HZ3   TRP   27  12.78 +/- 6.33   7.507% *  0.6263% (0.15  1.00   0.81   7.34) =   0.162%  kept
          QD2   LEU   63 - HZ3   TRP   27  10.12 +/- 2.18   5.257% *  0.0840% (0.84  1.00   0.02   0.02) =   0.015%
          QD2   LEU   98 - HZ3   TRP   27   7.60 +/- 3.41  10.390% *  0.0155% (0.15  1.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HZ3   TRP   27  13.73 +/- 2.99   1.674% *  0.0569% (0.57  1.00   0.02   0.02) =   0.003%
    Distance limit 5.34 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 = 3.02, residual support = 22.0:
        T QD2   LEU   31 - HZ3   TRP   27   3.22 +/- 0.98  69.084% * 99.2186% (0.76 10.00   3.03  22.06) =  99.774%  kept
          QG2   VAL   83 - HZ3   TRP   27  11.62 +/- 5.75  21.643% *  0.6688% (1.00  1.00   0.10   0.02) =   0.211%  kept
          QD1   ILE   89 - HZ3   TRP   27  13.05 +/- 4.88   9.274% *  0.1126% (0.87  1.00   0.02   0.02) =   0.015%
    Distance limit 4.85 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 = 0.767, support = 3.26, residual support = 21.7:
          QD2   LEU   31 - HH2   TRP   27   3.41 +/- 0.86  67.220% * 95.4581% (0.76   3.31  22.06) =  98.571%  kept
          QG2   VAL   83 - HH2   TRP   27  11.08 +/- 5.93  22.132% *  3.8873% (1.00   0.10   0.02) =   1.322%  kept
          QD1   ILE   89 - HH2   TRP   27  12.32 +/- 5.30  10.648% *  0.6546% (0.87   0.02   0.02) =   0.107%  kept
    Distance limit 4.83 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 = 0.954, support = 3.28, residual support = 23.3:
          QD1   LEU   73 - HH2   TRP   27   5.58 +/- 2.72  25.234% * 70.2831% (1.00   3.58  26.23) =  85.512%  kept
          QD2   LEU   80 - HH2   TRP   27  11.51 +/- 5.63   9.974% * 25.7026% (0.76   1.71   7.34) =  12.361%  kept
          QG2   VAL   41 - HH2   TRP   27   5.93 +/- 2.90  23.417% *  1.0558% (0.14   0.40   0.42) =   1.192%  kept
          QD1   LEU  104 - HH2   TRP   27  11.66 +/- 3.24   4.836% *  1.7594% (0.53   0.17   0.02) =   0.410%  kept
          QD1   LEU   63 - HH2   TRP   27   9.98 +/- 3.16  11.699% *  0.3926% (1.00   0.02   0.02) =   0.221%  kept
          QG1   VAL   83 - HH2   TRP   27  11.23 +/- 6.18  18.131% *  0.2528% (0.15   0.08   0.02) =   0.221%  kept
          QD2   LEU   63 - HH2   TRP   27  10.55 +/- 2.88   5.300% *  0.2387% (0.61   0.02   0.02) =   0.061%
          QD2   LEU  115 - HH2   TRP   27  14.02 +/- 3.14   1.409% *  0.3151% (0.80   0.02   0.02) =   0.021%
    Distance limit 5.49 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 = 1.3, residual support = 107.2:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.30 107.19) = 100.000%  kept
    Distance limit 4.16 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 = 0.89, support = 2.17, residual support = 40.5:
          HD21  ASN   28 - HZ2   TRP   27   5.21 +/- 1.18  41.745% * 74.4986% (0.87   2.55  50.66) =  79.075%  kept
          HZ2   TRP   87 - HZ2   TRP   27  12.66 +/- 8.61  32.925% * 24.7530% (0.98   0.75   2.33) =  20.722%  kept
          QE    PHE   60 - HZ2   TRP   27  12.04 +/- 3.25  12.699% *  0.4626% (0.69   0.02   0.02) =   0.149%  kept
          HN    LEU   63 - HZ2   TRP   27  15.34 +/- 4.06  12.122% *  0.1679% (0.25   0.02   0.02) =   0.052%
          HN    ILE   56 - HZ2   TRP   27  20.19 +/- 2.89   0.508% *  0.1179% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.31 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 = 107.2:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.80 107.19) = 100.000%  kept
    Distance limit 5.22 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 = 0.75, residual support = 2.33:
          HE1   TRP   87 - HZ2   TRP   27  13.11 +/- 8.18 100.000% *100.0000% (0.92   0.75   2.33) = 100.000%  kept
    Distance limit 5.14 A violated in 13 structures by 8.29 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.599, support = 3.3, residual support = 17.2:
        T QD2   LEU   31 - HZ2   TRP   27   3.38 +/- 0.51  67.182% * 56.3333% (0.49 10.00   4.23  22.06) =  72.534%  kept
        T QG2   VAL   43 - HZ2   TRP   27   6.48 +/- 3.39  32.818% * 43.6667% (0.90 10.00   0.84   4.24) =  27.466%  kept
    Distance limit 4.62 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 = 0.901, support = 2.73, residual support = 11.3:
        T QD1   ILE   89 - QD    PHE   45   4.28 +/- 2.30  59.908% * 92.0939% (0.90 10.00   2.79  11.72) =  95.699%  kept
          QG2   VAL   83 - QD    PHE   45   6.09 +/- 2.03  31.580% *  7.8315% (1.00  1.00   1.53   2.09) =   4.290%  kept
          QD2   LEU   31 - QD    PHE   45  10.22 +/- 2.08   8.512% *  0.0746% (0.73  1.00   0.02   0.02) =   0.011%
    Distance limit 4.46 A violated in 4 structures by 0.62 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 2.87, residual support = 8.5:
          QD1   ILE   89 - QE    PHE   45   4.43 +/- 2.90  51.632% * 57.9559% (0.97   3.18  11.72) =  66.528%  kept
          QG2   VAL   83 - QE    PHE   45   5.65 +/- 2.63  35.936% * 41.8154% (0.98   2.26   2.09) =  33.409%  kept
          QD2   LEU   31 - QE    PHE   45   9.46 +/- 2.44  12.432% *  0.2287% (0.61   0.02   0.02) =   0.063%
    Distance limit 4.37 A violated in 4 structures by 0.81 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 18.2:
        T QG1   VAL   75 - QD    PHE   45   2.75 +/- 0.71  93.121% * 99.9034% (1.00 10.00   3.12  18.17) =  99.993%  kept
          QD1   LEU  115 - QD    PHE   45   8.60 +/- 1.45   6.879% *  0.0966% (0.97  1.00   0.02   0.02) =   0.007%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 2.14, residual support = 18.1:
        T HB    VAL   75 - QD    PHE   45   4.53 +/- 1.24  51.429% * 98.5342% (0.99 10.00   2.14  18.17) =  99.683%  kept
          HG3   LYS+  74 - QD    PHE   45   8.97 +/- 1.21  11.493% *  1.2455% (0.38  1.00   0.67   0.02) =   0.282%  kept
          QD1   LEU   67 - QD    PHE   45   9.13 +/- 1.41  10.986% *  0.0603% (0.61  1.00   0.02   0.02) =   0.013%
          QG2   ILE  103 - QD    PHE   45   9.18 +/- 0.88  10.428% *  0.0484% (0.49  1.00   0.02   0.02) =   0.010%
          QD2   LEU   40 - QD    PHE   45  10.84 +/- 1.04   6.302% *  0.0643% (0.65  1.00   0.02   0.02) =   0.008%
          QD1   ILE  119 - QD    PHE   45  11.27 +/- 1.58   6.160% *  0.0339% (0.34  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - QD    PHE   45  12.79 +/- 0.86   3.201% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.87 A violated in 3 structures by 0.34 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.612, support = 3.26, residual support = 11.9:
        T QG2   THR   77 - QD    PHE   45   2.92 +/- 0.46  66.409% * 74.6416% (0.65 10.00   3.15  11.37) =  92.022%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.78 +/- 0.24  18.430% * 22.8341% (0.20 10.00   4.55  18.44) =   7.813%  kept
          QB    ALA   88 - QD    PHE   45   8.65 +/- 2.02   3.966% *  2.1090% (0.97  1.00   0.38   0.02) =   0.155%  kept
          HB3   LEU   80 - QD    PHE   45   9.10 +/- 2.74   4.675% *  0.0433% (0.38  1.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - QD    PHE   45   9.84 +/- 3.13   3.918% *  0.0321% (0.28  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD    PHE   45  13.55 +/- 1.82   1.054% *  0.0700% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   45  14.59 +/- 2.56   0.860% *  0.0607% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.23 +/- 0.99   0.445% *  0.1001% (0.87  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  19.89 +/- 0.93   0.243% *  0.1091% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.75, support = 0.747, residual support = 25.7:
          QG2   THR   94 - QD    PHE   45   3.34 +/- 0.54  68.891% * 67.1270% (0.80   0.75  27.35) =  89.454%  kept
          HG12  ILE   89 - QD    PHE   45   6.72 +/- 2.40  20.323% * 25.8744% (0.31   0.75  11.72) =  10.172%  kept
          HD2   LYS+ 112 - QD    PHE   45  13.04 +/- 3.81   4.590% *  2.2355% (1.00   0.02   0.02) =   0.198%  kept
          HB3   LYS+ 112 - QD    PHE   45  12.97 +/- 2.15   2.508% *  1.7084% (0.76   0.02   0.02) =   0.083%
          HB3   LEU   71 - QD    PHE   45  14.18 +/- 1.92   1.236% *  2.2157% (0.99   0.02   0.02) =   0.053%
          HG3   LYS+ 111 - QD    PHE   45  13.32 +/- 2.15   2.451% *  0.8390% (0.38   0.02   0.02) =   0.040%
    Distance limit 5.03 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 = 2.49, residual support = 18.2:
        T QG1   VAL   75 - QE    PHE   45   3.14 +/- 0.56  93.855% * 99.9191% (0.90 10.00   2.49  18.17) =  99.995%  kept
          QD1   LEU  115 - QE    PHE   45   9.68 +/- 1.83   6.145% *  0.0809% (0.73  1.00   0.02   0.02) =   0.005%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.595, support = 0.716, residual support = 11.2:
          HB    ILE   89 - QE    PHE   45   7.13 +/- 3.71  24.571% * 94.4406% (0.61   0.75  11.72) =  95.331%  kept
          HB    VAL   43 - QE    PHE   45   3.10 +/- 1.63  68.356% *  1.5584% (0.38   0.02   0.02) =   4.376%  kept
          QD    LYS+  81 - QE    PHE   45  11.64 +/- 2.32   2.506% *  1.2816% (0.31   0.02   0.02) =   0.132%  kept
          HB2   LYS+  99 - QE    PHE   45  13.35 +/- 1.38   1.289% *  1.1545% (0.28   0.02   0.02) =   0.061%
          QG1   ILE   56 - QE    PHE   45  11.51 +/- 2.12   2.115% *  0.6407% (0.15   0.02   0.02) =   0.056%
          HB3   LYS+  99 - QE    PHE   45  13.65 +/- 1.49   1.163% *  0.9244% (0.22   0.02   0.02) =   0.044%
    Distance limit 5.17 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 = 0.449, support = 1.98, residual support = 8.46:
          HB3   MET   96 - QE    PHE   45   3.85 +/- 1.74  73.590% * 93.5934% (0.45   1.99   8.51) =  99.421%  kept
          HB3   ARG+  54 - QE    PHE   45  16.01 +/- 2.28  10.802% *  1.9363% (0.92   0.02   0.02) =   0.302%  kept
          HB    VAL   18 - QE    PHE   45  14.54 +/- 4.64   5.352% *  1.4408% (0.69   0.02   0.02) =   0.111%  kept
          HB2   LEU   40 - QE    PHE   45  13.43 +/- 1.08   3.821% *  1.7520% (0.84   0.02   0.02) =   0.097%
          HB2   LEU   67 - QE    PHE   45  12.39 +/- 2.20   4.757% *  0.8623% (0.41   0.02   0.02) =   0.059%
          HB3   GLU-  14 - QE    PHE   45  20.29 +/- 2.17   1.678% *  0.4151% (0.20   0.02   0.02) =   0.010%
    Distance limit 5.24 A violated in 1 structures by 0.20 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.245, support = 1.82, residual support = 8.12:
        T HB2   MET   96 - QE    PHE   45   4.08 +/- 1.54  55.505% * 79.3389% (0.22 10.00   1.86   8.51) =  95.021%  kept
          HB3   ASP-  76 - QE    PHE   45   8.65 +/- 1.41  12.382% * 16.6330% (0.73  1.00   1.20   0.80) =   4.444%  kept
          QG    GLN   90 - QE    PHE   45   9.50 +/- 2.35   9.121% *  1.7912% (0.22  1.00   0.42   0.02) =   0.353%  kept
          HG3   MET   92 - QE    PHE   45  10.02 +/- 1.47   8.866% *  0.3693% (0.97  1.00   0.02   0.02) =   0.071%
        T HB3   PHE   72 - QE    PHE   45  10.33 +/- 1.99   4.267% *  0.6702% (0.18 10.00   0.02   0.02) =   0.062%
          HG12  ILE  119 - QE    PHE   45  13.65 +/- 2.21   4.932% *  0.2014% (0.53  1.00   0.02   0.02) =   0.021%
          HB2   ASP- 105 - QE    PHE   45  11.53 +/- 0.99   2.282% *  0.3533% (0.92  1.00   0.02   0.02) =   0.017%
          HB2   GLU-  29 - QE    PHE   45  16.89 +/- 2.61   0.875% *  0.3432% (0.90  1.00   0.02   0.02) =   0.006%
          HG2   GLU- 100 - QE    PHE   45  16.08 +/- 1.56   0.845% *  0.2476% (0.65  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   45  17.84 +/- 1.82   0.926% *  0.0518% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.0:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  87.184% * 99.8696% (0.53  10.0 10.00   1.00  80.02) =  99.981%  kept
          HZ3   TRP   27 - QE    PHE   45   8.65 +/- 3.24  12.816% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.019%
    Distance limit 4.17 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 = 3.62, residual support = 80.0:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  98.980% * 99.6976% (0.65  10.0   3.62  80.02) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  14.64 +/- 2.71   0.453% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  17.94 +/- 2.56   0.360% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.98 +/- 3.22   0.207% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 1.99, residual support = 8.49:
          HB3   MET   96 - QD    PHE   45   4.90 +/- 1.20  71.107% * 96.5029% (0.80   2.00   8.51) =  99.753%  kept
          HB3   ARG+  54 - QD    PHE   45  14.01 +/- 2.08   9.023% *  0.7321% (0.61   0.02   0.02) =   0.096%
          HB2   LEU   40 - QD    PHE   45  14.20 +/- 0.68   4.241% *  1.2070% (1.00   0.02   0.02) =   0.074%
          HB    VAL   18 - QD    PHE   45  14.15 +/- 4.83   6.244% *  0.4117% (0.34   0.02   0.02) =   0.037%
          HB2   LEU   67 - QD    PHE   45  12.33 +/- 1.96   6.200% *  0.1862% (0.15   0.02   0.02) =   0.017%
          HB3   GLU-  14 - QD    PHE   45  20.43 +/- 2.12   1.806% *  0.5875% (0.49   0.02   0.02) =   0.015%
          HG3   MET   11 - QD    PHE   45  25.86 +/- 4.00   1.380% *  0.3725% (0.31   0.02   0.02) =   0.007%
    Distance limit 5.45 A violated in 2 structures by 0.30 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 1.96, residual support = 6.63:
          HB2   MET   96 - QD    PHE   45   5.29 +/- 0.98  50.531% * 49.5661% (0.87   2.00   8.51) =  75.654%  kept
          HB3   ASP-  76 - QD    PHE   45   8.00 +/- 0.85  16.449% * 48.5006% (0.92   1.84   0.80) =  24.098%  kept
          HG3   MET   92 - QD    PHE   45   8.40 +/- 1.13  16.004% *  0.1949% (0.34   0.02   0.02) =   0.094%
          HB2   ASP- 105 - QD    PHE   45  11.84 +/- 0.84   4.737% *  0.4149% (0.73   0.02   0.02) =   0.059%
          HB    VAL   70 - QD    PHE   45  12.00 +/- 1.26   4.974% *  0.2562% (0.45   0.02   0.02) =   0.038%
          HG2   GLU- 100 - QD    PHE   45  17.43 +/- 1.07   1.442% *  0.5515% (0.97   0.02   0.02) =   0.024%
          QG    GLN   17 - QD    PHE   45  15.55 +/- 3.01   2.703% *  0.2145% (0.38   0.02   0.02) =   0.018%
          HB2   GLU-  25 - QD    PHE   45  17.25 +/- 2.08   1.643% *  0.1589% (0.28   0.02   0.02) =   0.008%
          HB2   GLU-  29 - QD    PHE   45  17.65 +/- 2.18   1.516% *  0.1425% (0.25   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 1 structures by 0.11 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.05, residual support = 80.0:
      O T HB3   PHE   45 - QD    PHE   45   2.56 +/- 0.20  90.271% * 99.5701% (0.80  10.0 10.00   5.05  80.02) =  99.991%  kept
          QE    LYS+ 112 - QD    PHE   45  11.21 +/- 3.36   3.146% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - QD    PHE   45  10.26 +/- 2.26   2.227% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - QD    PHE   45   8.45 +/- 0.68   2.730% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - QD    PHE   45  12.78 +/- 2.34   1.339% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  18.39 +/- 2.41   0.287% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.35, residual support = 80.0:
      O T HB2   PHE   45 - QD    PHE   45   2.47 +/- 0.15  97.013% * 99.8423% (0.97  10.0 10.00   4.35  80.02) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  12.37 +/- 2.05   1.114% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    PHE   45  11.70 +/- 3.59   1.873% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.57 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 = 2.95, residual support = 27.3:
          HB    THR   94 - QD    PHE   45   3.03 +/- 0.49  81.777% * 91.5524% (0.69   2.96  27.35) =  99.744%  kept
          HA    ALA   88 - QD    PHE   45   9.58 +/- 1.94   3.881% *  2.6343% (0.15   0.38   0.02) =   0.136%  kept
          QB    SER   48 - QD    PHE   45   9.56 +/- 0.92   3.919% *  0.7218% (0.80   0.02   0.02) =   0.038%
          QB    SER   85 - QD    PHE   45  10.69 +/- 1.71   2.523% *  0.8527% (0.95   0.02   0.02) =   0.029%
          HA    LYS+  65 - QD    PHE   45  13.04 +/- 2.23   1.887% *  0.8084% (0.90   0.02   0.02) =   0.020%
          HA2   GLY   51 - QD    PHE   45  13.87 +/- 0.84   1.035% *  0.4743% (0.53   0.02   0.02) =   0.007%
          HA    ALA  120 - QD    PHE   45  17.58 +/- 1.66   0.535% *  0.8699% (0.97   0.02   0.02) =   0.006%
          HD2   PRO   52 - QD    PHE   45  11.87 +/- 1.41   1.649% *  0.2782% (0.31   0.02   0.02) =   0.006%
          HA2   GLY   16 - QD    PHE   45  19.79 +/- 3.00   0.413% *  0.8527% (0.95   0.02   0.02) =   0.005%
          QB    SER  117 - QD    PHE   45  13.33 +/- 1.16   1.292% *  0.2506% (0.28   0.02   0.02) =   0.004%
          HA    LYS+ 121 - QD    PHE   45  17.39 +/- 2.04   0.529% *  0.5467% (0.61   0.02   0.02) =   0.004%
          HA    GLN   32 - QD    PHE   45  17.75 +/- 2.27   0.560% *  0.1579% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.21 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 = 0.337, support = 4.27, residual support = 18.0:
          HA    ASP-  44 - QD    PHE   45   3.21 +/- 0.66  61.238% * 82.0242% (0.34   4.50  18.44) =  93.824%  kept
          HB    THR   77 - QD    PHE   45   4.90 +/- 1.10  25.242% * 12.8612% (0.28   0.87  11.37) =   6.064%  kept
          HA    ASP-  86 - QD    PHE   45  11.46 +/- 2.10   2.262% *  1.0480% (0.98   0.02   0.02) =   0.044%
          HA    LEU  104 - QD    PHE   45  13.99 +/- 0.85   1.076% *  0.8930% (0.84   0.02   0.02) =   0.018%
          HA    SER   85 - QD    PHE   45  10.58 +/- 2.08   2.715% *  0.2973% (0.28   0.02   0.02) =   0.015%
          HA    TRP   87 - QD    PHE   45   9.05 +/- 2.19   4.563% *  0.1650% (0.15   0.02   0.02) =   0.014%
          HA    ILE  103 - QD    PHE   45  11.55 +/- 1.28   2.207% *  0.2116% (0.20   0.02   0.02) =   0.009%
          HA    GLU-  14 - QD    PHE   45  20.68 +/- 1.80   0.286% *  1.0668% (1.00   0.02   0.02) =   0.006%
          HA    ALA   12 - QD    PHE   45  23.61 +/- 3.14   0.219% *  1.0318% (0.97   0.02   0.02) =   0.004%
          HA    MET   11 - QD    PHE   45  25.87 +/- 3.85   0.191% *  0.4013% (0.38   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 5.05, residual support = 80.0:
          HA    PHE   45 - QD    PHE   45   2.78 +/- 0.55  88.981% * 96.8503% (0.25   5.06  80.02) =  99.924%  kept
          HA    MET   92 - QD    PHE   45   7.30 +/- 1.06   8.458% *  0.3831% (0.25   0.02   0.02) =   0.038%
          HA    VAL   41 - QD    PHE   45  10.70 +/- 0.41   1.958% *  1.2302% (0.80   0.02   0.02) =   0.028%
          HA    HIS  122 - QD    PHE   45  17.11 +/- 2.49   0.603% *  1.5364% (1.00   0.02   0.02) =   0.011%
    Distance limit 5.46 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 = 5.44, residual support = 69.6:
          HN    PHE   45 - QD    PHE   45   2.34 +/- 0.66  77.360% * 56.3916% (0.45   5.67  80.02) =  83.100%  kept
          HN    ASP-  44 - QD    PHE   45   4.26 +/- 0.42  20.578% * 43.0877% (0.45   4.33  18.44) =  16.889%  kept
          HN    ALA  110 - QD    PHE   45  10.45 +/- 1.86   1.427% *  0.3048% (0.69   0.02   0.02) =   0.008%
          HN    GLU-  25 - QD    PHE   45  15.06 +/- 2.09   0.635% *  0.2160% (0.49   0.02   0.02) =   0.003%
    Distance limit 5.43 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  97.413% * 99.7606% (0.98  10.0   1.00  80.02) =  99.996%  kept
          QD    PHE   72 - HZ    PHE   45   9.59 +/- 2.07   2.361% *  0.1766% (0.87   1.0   0.02   0.02) =   0.004%
          HD22  ASN   69 - HZ    PHE   45  18.46 +/- 3.14   0.226% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.605, support = 4.43, residual support = 55.0:
          HN    TRP   49 - HD1   TRP   49   2.34 +/- 0.71  75.439% * 33.7152% (0.38   4.90  85.70) =  62.032%  kept
          HN    CYS   50 - HD1   TRP   49   3.92 +/- 0.70  23.562% * 66.0624% (0.98   3.68   4.73) =  37.962%  kept
          HN    VAL   83 - HD1   TRP   49  14.71 +/- 3.56   0.999% *  0.2224% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.43 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 = 85.7:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.31  85.70) = 100.000%  kept
    Distance limit 4.11 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 = 85.7:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.044% * 99.8040% (0.41  10.0   1.00  85.70) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  17.45 +/- 3.39   0.746% *  0.0749% (0.15   1.0   0.02   0.02) =   0.001%
          HE21  GLN   30 - HZ2   TRP   49  24.69 +/- 5.10   0.210% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 85.7:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.70) = 100.000%  kept
    Distance limit 5.10 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 = 85.7:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.841% * 99.8708% (1.00  10.0   1.00  85.70) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  22.93 +/- 2.58   0.159% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.899, support = 1.48, residual support = 7.76:
          QD1   ILE   89 - HZ    PHE   45   6.02 +/- 3.15  45.720% * 53.9551% (0.84   1.69  11.72) =  58.941%  kept
          QG2   VAL   83 - HZ    PHE   45   6.71 +/- 3.29  37.600% * 45.4311% (0.99   1.20   2.09) =  40.815%  kept
          QD2   LEU   31 - HZ    PHE   45  10.53 +/- 2.93  16.679% *  0.6138% (0.80   0.02   0.02) =   0.245%  kept
    Distance limit 5.30 A violated in 4 structures by 0.92 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.74, residual support = 85.7:
      O T HB2   TRP   49 - HD1   TRP   49   3.89 +/- 0.06  69.319% * 99.5547% (0.65  10.0 10.00   4.74  85.70) =  99.969%  kept
          HA    ALA   84 - HD1   TRP   49  11.48 +/- 3.43  19.996% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.020%
          HA    VAL   75 - HD1   TRP   49  14.14 +/- 2.58   5.319% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HA2   GLY  109 - HD1   TRP   49  15.06 +/- 3.12   2.754% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.52 +/- 2.52   1.687% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  21.70 +/- 2.35   0.466% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  22.54 +/- 3.04   0.460% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.11 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 = 4.71, residual support = 85.7:
      O T HB3   TRP   49 - HD1   TRP   49   3.03 +/- 0.22  98.707% * 99.9191% (0.90  10.0 10.00   4.71  85.70) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  16.01 +/- 2.21   1.293% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 3.79, residual support = 15.9:
          QB    ALA   47 - HD1   TRP   49   2.94 +/- 0.85  86.747% * 99.0308% (0.84   3.79  15.94) =  99.949%  kept
          QG1   VAL   42 - HD1   TRP   49  15.08 +/- 2.73   5.481% *  0.4541% (0.73   0.02   0.02) =   0.029%
          HG2   LYS+ 112 - HD1   TRP   49  15.86 +/- 4.56   5.701% *  0.2347% (0.38   0.02   0.02) =   0.016%
          QB    ALA   64 - HD1   TRP   49  15.11 +/- 2.51   2.072% *  0.2804% (0.45   0.02   0.02) =   0.007%
    Distance limit 5.17 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 = 0.857, support = 0.726, residual support = 3.11:
          HB3   PRO   52 - HZ2   TRP   49   7.29 +/- 3.83  33.109% * 69.1350% (0.87  1.00   0.75   3.21) =  96.702%  kept
          HG3   PRO   68 - HZ2   TRP   49  25.00 +/- 6.50   9.036% *  1.6243% (0.76  1.00   0.02   0.02) =   0.620%  kept
          HB3   GLN   90 - HZ2   TRP   49  10.35 +/- 3.66  13.998% *  0.9529% (0.45  1.00   0.02   0.02) =   0.563%  kept
          HG2   ARG+  54 - HZ2   TRP   49  10.86 +/- 1.49   7.059% *  1.4599% (0.69  1.00   0.02   0.02) =   0.435%  kept
        T HG    LEU  123 - HZ2   TRP   49  25.69 +/- 2.65   0.485% * 18.4360% (0.87 10.00   0.02   0.02) =   0.377%  kept
          HB    VAL   41 - HZ2   TRP   49  21.64 +/- 4.61   8.186% *  0.9529% (0.45  1.00   0.02   0.02) =   0.330%  kept
          QB    LYS+ 106 - HZ2   TRP   49  15.34 +/- 3.81   9.542% *  0.7250% (0.34  1.00   0.02   0.02) =   0.292%  kept
          QB    LYS+  66 - HZ2   TRP   49  19.01 +/- 4.58   8.838% *  0.5909% (0.28  1.00   0.02   0.02) =   0.221%  kept
          QB    LYS+  81 - HZ2   TRP   49  14.16 +/- 3.27   4.050% *  0.7977% (0.38  1.00   0.02   0.02) =   0.136%  kept
          HG12  ILE  103 - HZ2   TRP   49  20.72 +/- 4.91   2.316% *  1.2891% (0.61  1.00   0.02   0.02) =   0.126%  kept
          HB    ILE  103 - HZ2   TRP   49  22.29 +/- 4.93   1.440% *  1.5433% (0.73  1.00   0.02   0.02) =   0.094%
          HB3   ASP- 105 - HZ2   TRP   49  21.16 +/- 3.73   1.041% *  1.3749% (0.65  1.00   0.02   0.02) =   0.060%
          QB    LYS+  33 - HZ2   TRP   49  26.39 +/- 4.24   0.902% *  1.1182% (0.53  1.00   0.02   0.02) =   0.043%
    Distance limit 5.08 A violated in 0 structures by 0.42 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.01, residual support = 15.9:
          QB    ALA   47 - HZ2   TRP   49   4.08 +/- 1.37  65.320% * 97.9935% (0.69   2.02  15.94) =  99.587%  kept
          QB    ALA   64 - HZ2   TRP   49  15.41 +/- 3.20  14.850% *  0.8558% (0.61   0.02   0.02) =   0.198%  kept
          QG1   VAL   42 - HZ2   TRP   49  14.38 +/- 3.38  15.324% *  0.7988% (0.57   0.02   0.02) =   0.190%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.97 +/- 4.01   4.505% *  0.3518% (0.25   0.02   0.02) =   0.025%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.363, support = 0.71, residual support = 3.04:
          HG2   PRO   52 - HH2   TRP   49   5.83 +/- 4.32  42.453% * 73.0242% (0.34   0.75   3.21) =  94.481%  kept
          HG2   MET   92 - HH2   TRP   49   8.72 +/- 3.66  18.115% *  4.9520% (0.87   0.02   0.02) =   2.734%  kept
          QG    GLU- 114 - HH2   TRP   49  13.73 +/- 3.27   8.754% *  4.5712% (0.80   0.02   0.02) =   1.220%  kept
          HB2   ASP-  44 - HH2   TRP   49  14.23 +/- 3.21  18.104% *  0.9998% (0.18   0.02   0.02) =   0.552%  kept
          HB2   GLU-  79 - HH2   TRP   49  17.32 +/- 3.13   4.337% *  4.1454% (0.73   0.02   0.02) =   0.548%  kept
          HG3   GLU-  36 - HH2   TRP   49  34.49 +/- 5.86   0.926% *  4.9520% (0.87   0.02   0.02) =   0.140%  kept
          QB    MET   11 - HH2   TRP   49  31.87 +/- 5.92   0.851% *  3.9214% (0.69   0.02   0.02) =   0.102%  kept
          QG    GLU-  15 - HH2   TRP   49  27.26 +/- 5.03   2.024% *  1.4235% (0.25   0.02   0.02) =   0.088%
          HG3   GLU-  25 - HH2   TRP   49  27.50 +/- 5.68   2.256% *  1.1298% (0.20   0.02   0.02) =   0.078%
          QG    GLU-  14 - HH2   TRP   49  26.50 +/- 5.31   2.179% *  0.8808% (0.15   0.02   0.02) =   0.059%
    Distance limit 5.41 A violated in 2 structures by 0.50 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.859, support = 1.93, residual support = 3.08:
          HB3   PRO   52 - HH2   TRP   49   6.26 +/- 4.63  39.391% * 82.1113% (0.87   2.00   3.21) =  95.710%  kept
          HG3   PRO   68 - HH2   TRP   49  25.29 +/- 7.06  10.093% * 12.2553% (0.76   0.34   0.02) =   3.660%  kept
          HB    VAL   41 - HH2   TRP   49  22.50 +/- 5.23   9.737% *  0.4244% (0.45   0.02   0.02) =   0.122%  kept
          HB3   GLN   90 - HH2   TRP   49  11.99 +/- 4.21   8.366% *  0.4244% (0.45   0.02   0.02) =   0.105%  kept
          QB    LYS+ 106 - HH2   TRP   49  16.06 +/- 3.97   9.240% *  0.3229% (0.34   0.02   0.02) =   0.088%
          QB    LYS+  66 - HH2   TRP   49  19.20 +/- 5.07  10.044% *  0.2632% (0.28   0.02   0.02) =   0.078%
          HB    ILE  103 - HH2   TRP   49  23.09 +/- 5.67   3.601% *  0.6874% (0.73   0.02   0.02) =   0.073%
          HG2   ARG+  54 - HH2   TRP   49  10.10 +/- 1.77   3.671% *  0.6502% (0.69   0.02   0.02) =   0.071%
          HG12  ILE  103 - HH2   TRP   49  21.55 +/- 5.54   2.962% *  0.5741% (0.61   0.02   0.02) =   0.050%
          QB    LYS+  81 - HH2   TRP   49  15.60 +/- 3.43   1.188% *  0.3553% (0.38   0.02   0.02) =   0.012%
          QB    LYS+  33 - HH2   TRP   49  27.03 +/- 4.82   0.843% *  0.4980% (0.53   0.02   0.02) =   0.012%
          HB3   ASP- 105 - HH2   TRP   49  21.62 +/- 3.93   0.653% *  0.6124% (0.65   0.02   0.02) =   0.012%
          HG    LEU  123 - HH2   TRP   49  25.58 +/- 2.62   0.212% *  0.8211% (0.87   0.02   0.02) =   0.005%
    Distance limit 5.14 A violated in 2 structures by 0.61 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.254, support = 2.38, residual support = 20.7:
      O   QB    PHE   55 - QD    PHE   55   2.16 +/- 0.05  89.394% * 72.2755% (0.25  10.0   2.38  20.93) =  98.741%  kept
          HD2   ARG+  54 - QD    PHE   55   7.07 +/- 0.71   2.918% * 25.3924% (0.61   1.0   2.89   4.16) =   1.132%  kept
          HB3   CYS   53 - QD    PHE   55   7.30 +/- 1.19   3.698% *  2.1438% (0.53   1.0   0.28   0.02) =   0.121%  kept
          HD3   PRO   93 - QD    PHE   55   9.36 +/- 3.34   3.783% *  0.0989% (0.34   1.0   0.02   0.02) =   0.006%
          HD3   PRO   68 - QD    PHE   55  18.16 +/- 2.52   0.207% *  0.0895% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.847, support = 2.05, residual support = 19.4:
          HA    PHE   55 - QD    PHE   55   3.10 +/- 0.39  84.350% * 61.2295% (0.84   2.13  20.93) =  92.501%  kept
          HA    ALA  110 - QD    PHE   55   9.25 +/- 4.12  11.116% * 37.5469% (1.00   1.09   0.14) =   7.476%  kept
          HA    GLN   90 - QD    PHE   55  16.23 +/- 3.15   0.919% *  0.6641% (0.97   0.02   0.02) =   0.011%
          HA    VAL  107 - QD    PHE   55  12.64 +/- 2.91   1.536% *  0.2347% (0.34   0.02   0.02) =   0.006%
          HA    ALA   91 - QD    PHE   55  14.30 +/- 3.14   1.412% *  0.1532% (0.22   0.02   0.02) =   0.004%
          HA    VAL   42 - QD    PHE   55  16.43 +/- 1.56   0.668% *  0.1716% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.92 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 = 0.494, support = 2.09, residual support = 3.81:
          HB3   LEU  115 - QD    PHE   55   8.50 +/- 2.95  22.739% * 53.6960% (0.31  1.00   3.06   5.76) =  65.506%  kept
          QB    ALA  110 - QD    PHE   55   7.77 +/- 3.55  29.073% * 13.5904% (0.80  1.00   0.30   0.14) =  21.198%  kept
          QB    ALA   61 - QD    PHE   55   9.66 +/- 1.12  13.143% * 13.6746% (0.97  1.00   0.25   0.02) =   9.642%  kept
        T QG    LYS+  66 - QD    PHE   55  14.74 +/- 1.89   3.935% * 10.7682% (0.95 10.00   0.02   0.02) =   2.273%  kept
        T HG    LEU   67 - QD    PHE   55  17.58 +/- 2.11   2.859% *  2.5343% (0.22 10.00   0.02   0.02) =   0.389%  kept
          HG    LEU   80 - QD    PHE   55  21.08 +/- 4.67   7.143% *  0.9508% (0.84  1.00   0.02   0.02) =   0.364%  kept
          HB3   LEU   67 - QD    PHE   55  17.32 +/- 2.51   3.359% *  1.1383% (1.00  1.00   0.02   0.02) =   0.205%  kept
          HG    LEU   73 - QD    PHE   55  18.55 +/- 4.20   2.861% *  0.9115% (0.80  1.00   0.02   0.02) =   0.140%  kept
          HB2   LEU   80 - QD    PHE   55  20.22 +/- 3.96   4.081% *  0.3513% (0.31  1.00   0.02   0.02) =   0.077%
          HG12  ILE   19 - QD    PHE   55  20.77 +/- 3.61   1.562% *  0.8266% (0.73  1.00   0.02   0.02) =   0.069%
          HB3   LYS+  74 - QD    PHE   55  16.41 +/- 3.70   4.342% *  0.1994% (0.18  1.00   0.02   0.02) =   0.046%
          HG    LEU   40 - QD    PHE   55  18.97 +/- 2.13   1.878% *  0.3513% (0.31  1.00   0.02   0.02) =   0.035%
          HD3   LYS+ 121 - QD    PHE   55  16.21 +/- 2.23   2.426% *  0.2253% (0.20  1.00   0.02   0.02) =   0.029%
          HG2   LYS+ 102 - QD    PHE   55  25.65 +/- 2.20   0.600% *  0.7819% (0.69  1.00   0.02   0.02) =   0.025%
    Distance limit 4.80 A violated in 7 structures by 1.18 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.46, residual support = 5.62:
          QD2   LEU  115 - QD    PHE   55   6.38 +/- 2.79  45.966% * 90.3556% (0.87  1.00   2.52   5.76) =  97.438%  kept
        T QD2   LEU   80 - QD    PHE   55  17.52 +/- 3.99  11.993% *  6.8977% (0.84 10.00   0.02   0.02) =   1.941%  kept
          QD1   LEU   63 - QD    PHE   55  10.26 +/- 1.75  13.400% *  0.8240% (1.00  1.00   0.02   0.02) =   0.259%  kept
          QD1   LEU   73 - QD    PHE   55  15.65 +/- 3.46   9.718% *  0.8240% (1.00  1.00   0.02   0.02) =   0.188%  kept
          QD2   LEU   63 - QD    PHE   55  11.28 +/- 1.86  11.954% *  0.4345% (0.53  1.00   0.02   0.02) =   0.122%  kept
          QD1   LEU  104 - QD    PHE   55  17.48 +/- 1.76   3.287% *  0.5009% (0.61  1.00   0.02   0.02) =   0.039%
          QG1   VAL   83 - QD    PHE   55  17.02 +/- 2.99   3.683% *  0.1634% (0.20  1.00   0.02   0.02) =   0.014%
    Distance limit 5.01 A violated in 6 structures by 1.17 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.943, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.10 +/- 1.98  81.558% * 72.5341% (0.99   0.02   0.02) =  92.113%  kept
          HB3   TRP   49 - QE    PHE   95  13.79 +/- 2.13  18.442% * 27.4659% (0.38   0.02   0.02) =   7.887%  kept
    Distance limit 4.94 A violated in 6 structures by 0.85 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 = 0.641, support = 1.17, residual support = 7.5:
        T QE    LYS+ 112 - QE    PHE   95   5.70 +/- 2.91  33.116% * 77.9460% (0.69 10.00   1.01   3.48) =  86.086%  kept
          HB    VAL  107 - QE    PHE   95   4.90 +/- 0.76  33.867% *  8.8910% (0.28  1.00   2.85  44.08) =  10.042%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.70 +/- 1.98   9.141% *  7.6216% (0.57 10.00   0.12   0.02) =   2.323%  kept
          HB3   PHE   45 - QE    PHE   95   7.12 +/- 1.72  18.399% *  1.7231% (0.69  1.00   0.22   1.89) =   1.057%  kept
          HG3   MET   96 - QE    PHE   95   9.62 +/- 1.03   4.280% *  3.3820% (0.20  1.00   1.52  11.98) =   0.483%  kept
          HB3   ASP-  86 - QE    PHE   95  17.05 +/- 2.20   0.759% *  0.2123% (0.95  1.00   0.02   0.02) =   0.005%
          HG2   GLU-  29 - QE    PHE   95  21.12 +/- 2.64   0.439% *  0.2239% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 5.50 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 = 0.649, support = 0.483, residual support = 0.237:
          QG1   ILE   56 - QE    PHE   95   4.74 +/- 2.10  36.038% * 20.5301% (0.53   0.44   0.38) =  51.496%  kept
          HD2   LYS+ 111 - QE    PHE   95   8.30 +/- 1.64  10.886% * 40.4712% (0.69   0.66   0.12) =  30.664%  kept
          QD    LYS+ 106 - QE    PHE   95   9.20 +/- 1.19   6.634% * 31.6500% (1.00   0.36   0.02) =  14.615%  kept
          HG3   PRO   93 - QE    PHE   95   5.72 +/- 1.69  22.871% *  0.6655% (0.38   0.02   0.02) =   1.059%  kept
          HB3   MET   92 - QE    PHE   95   7.60 +/- 1.46   9.631% *  1.4200% (0.80   0.02   0.02) =   0.952%  kept
          HB2   LEU   73 - QE    PHE   95  11.57 +/- 2.99   4.751% *  1.6370% (0.92   0.02   0.02) =   0.541%  kept
          QD    LYS+  99 - QE    PHE   95  14.36 +/- 1.56   3.247% *  1.7733% (1.00   0.02   0.02) =   0.401%  kept
          HB2   LEU  123 - QE    PHE   95  13.85 +/- 1.41   2.503% *  0.7290% (0.41   0.02   0.02) =   0.127%  kept
          HB3   LYS+  99 - QE    PHE   95  15.22 +/- 1.41   2.138% *  0.7290% (0.41   0.02   0.02) =   0.108%  kept
          QD    LYS+ 102 - QE    PHE   95  16.06 +/- 1.36   1.301% *  0.3948% (0.22   0.02   0.02) =   0.036%
    Distance limit 5.37 A violated in 0 structures by 0.04 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 = 0.64, support = 2.41, residual support = 38.6:
          QG2   VAL  107 - QE    PHE   95   3.22 +/- 0.64  63.776% * 51.7712% (0.69  1.00   2.54  44.08) =  84.626%  kept
          HB3   LYS+ 112 - QE    PHE   95   6.45 +/- 1.81  15.151% * 19.6115% (0.38  1.00   1.76   3.48) =   7.616%  kept
          QG2   THR   94 - QE    PHE   95   5.46 +/- 0.66  15.174% * 18.4482% (0.34  1.00   1.82  14.71) =   7.175%  kept
          HG13  ILE  103 - QE    PHE   95  12.17 +/- 1.22   2.340% *  8.9863% (1.00  1.00   0.30   0.02) =   0.539%  kept
        T QB    ALA   20 - QE    PHE   95  12.72 +/- 1.21   1.190% *  0.9165% (0.15 10.00   0.02   0.02) =   0.028%
          HG2   LYS+ 121 - QE    PHE   95  12.34 +/- 2.23   2.369% *  0.2663% (0.45  1.00   0.02   0.02) =   0.016%
    Distance limit 5.42 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 = 0.891, support = 2.6, residual support = 6.03:
          QD2   LEU  115 - QE    PHE   95   4.09 +/- 0.86  34.849% * 61.3506% (0.87  1.00   3.33   7.67) =  71.519%  kept
          QD1   LEU   63 - QE    PHE   95   5.28 +/- 2.55  33.073% * 18.6598% (1.00  1.00   0.88   2.33) =  20.644%  kept
          QD1   LEU   73 - QE    PHE   95  10.21 +/- 3.01  15.764% *  9.2622% (1.00  1.00   0.44   0.02) =   4.884%  kept
          QD2   LEU   63 - QE    PHE   95   6.45 +/- 2.54  12.139% *  6.8350% (0.53  1.00   0.61   2.33) =   2.776%  kept
        T QD2   LEU   80 - QE    PHE   95  13.73 +/- 2.97   1.351% *  3.5505% (0.84 10.00   0.02   0.02) =   0.160%  kept
          QD1   LEU  104 - QE    PHE   95  11.65 +/- 1.45   1.447% *  0.2578% (0.61  1.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - QE    PHE   95  12.96 +/- 2.05   1.377% *  0.0841% (0.20  1.00   0.02   0.02) =   0.004%
    Distance limit 4.92 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 = 0.342, support = 1.49, residual support = 7.58:
        T QD1   LEU  115 - QE    PHE   95   2.90 +/- 0.89  73.526% * 92.1018% (0.34 10.00   1.50   7.67) =  98.815%  kept
          QB    ALA   64 - QE    PHE   95   7.81 +/- 1.86   7.872% *  6.1268% (0.57  1.00   0.60   0.11) =   0.704%  kept
          QG1   VAL   75 - QE    PHE   95   7.62 +/- 1.98  18.602% *  1.7714% (0.20  1.00   0.50   0.02) =   0.481%  kept
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.833, support = 1.12, residual support = 72.4:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  90.024% * 96.2856% (0.84  10.0   1.11  72.61) =  99.671%  kept
          HN    LEU   63 - QD    PHE   60   5.16 +/- 0.60   8.406% *  3.3781% (0.15   1.0   2.11  10.24) =   0.327%  kept
          HD21  ASN   28 - QD    PHE   60  15.29 +/- 3.22   1.220% *  0.1505% (0.73   1.0   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QD    PHE   60  15.70 +/- 3.16   0.349% *  0.1858% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.30 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 = 3.77, residual support = 72.6:
      O T HB3   PHE   60 - QD    PHE   60   2.47 +/- 0.18  91.294% * 99.7227% (0.73  10.0 10.00   3.77  72.61) =  99.997%  kept
          QE    LYS+  65 - QD    PHE   60   8.66 +/- 1.99   4.111% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - QD    PHE   60  13.83 +/- 2.04   0.696% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    PHE   60  12.28 +/- 2.34   1.669% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.14 +/- 2.42   1.638% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  20.09 +/- 3.06   0.271% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  17.23 +/- 2.82   0.320% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 0.811, support = 1.68, residual support = 2.42:
          QD1   ILE   56 - QD    PHE   60   4.80 +/- 1.74  50.342% * 25.1461% (0.99  1.00   1.27   4.20) =  44.865%  kept
          QD2   LEU   73 - QD    PHE   60   7.71 +/- 2.72  29.112% * 39.6406% (0.84  1.00   2.37   1.20) =  40.900%  kept
        T QG1   VAL   41 - QD    PHE   60  10.80 +/- 1.86  11.516% * 34.6636% (0.18 10.00   0.99   0.29) =  14.148%  kept
          HG    LEU   31 - QD    PHE   60  14.43 +/- 3.02   4.654% *  0.2748% (0.69  1.00   0.02   0.02) =   0.045%
          HG3   LYS+ 121 - QD    PHE   60  14.08 +/- 2.36   4.376% *  0.2748% (0.69  1.00   0.02   0.02) =   0.043%
    Distance limit 4.51 A violated in 3 structures by 0.50 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.66, residual support = 2.48:
          QB    ALA   64 - QD    PHE   60   5.00 +/- 1.45 100.000% *100.0000% (0.95   1.66   2.48) = 100.000%  kept
    Distance limit 4.43 A violated in 5 structures by 0.95 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   3.38 +/- 0.73  91.886% * 99.3236% (0.97   4.07  62.32) =  99.967%  kept
          HN    LEU  115 - QD    PHE   97   9.52 +/- 1.57   5.577% *  0.4878% (0.97   0.02   0.02) =   0.030%
          HN    ASP- 113 - QD    PHE   97  12.86 +/- 1.27   2.098% *  0.1000% (0.20   0.02   0.02) =   0.002%
          HN    ALA   12 - QD    PHE   97  23.33 +/- 3.72   0.439% *  0.0885% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.25 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 = 0.674, support = 1.08, residual support = 1.47:
          HA    THR  118 - QD    PHE   97   7.92 +/- 4.25  33.302% * 43.0941% (0.61   1.09   1.94) =  55.680%  kept
          HA    ILE  119 - QD    PHE   97   9.25 +/- 4.43  20.698% * 53.9381% (0.76   1.09   0.91) =  43.314%  kept
          HA    VAL   75 - QD    PHE   97  12.70 +/- 1.35  12.988% *  0.6829% (0.53   0.02   0.02) =   0.344%  kept
          HA2   GLY  109 - QD    PHE   97  12.42 +/- 1.07  13.367% *  0.4006% (0.31   0.02   0.02) =   0.208%  kept
          HB2   TRP   49 - QD    PHE   97  20.28 +/- 2.54   5.077% *  0.8916% (0.69   0.02   0.02) =   0.176%  kept
          HA    ALA   84 - QD    PHE   97  16.87 +/- 2.59   7.145% *  0.6318% (0.49   0.02   0.02) =   0.175%  kept
          HD3   PRO   58 - QD    PHE   97  14.01 +/- 2.19   7.424% *  0.3609% (0.28   0.02   0.02) =   0.104%  kept
    Distance limit 4.82 A violated in 8 structures by 1.77 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 61.9:
      O T HB2   PHE   97 - QD    PHE   97   2.47 +/- 0.18  81.591% * 89.9740% (0.90  10.0 10.00   2.44  62.32) =  99.219%  kept
          QE    LYS+ 106 - QD    PHE   97   7.03 +/- 1.14   5.802% *  9.8388% (0.95   1.0  1.00   2.07  10.66) =   0.772%  kept
          HB3   TRP   27 - QD    PHE   97  13.26 +/- 3.08   5.407% *  0.0870% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PHE   60 - QD    PHE   97  11.24 +/- 2.42   1.782% *  0.0803% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.75 +/- 1.15   5.418% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.21 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   2.48 +/- 0.14  96.069% * 99.7112% (1.00  10.0 10.00   2.74  62.32) =  99.997%  kept
          HB2   GLU- 100 - QD    PHE   97  10.88 +/- 0.85   1.217% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  11.86 +/- 1.81   1.081% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - QD    PHE   97  14.25 +/- 3.00   1.196% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  16.25 +/- 2.04   0.437% *  0.0308% (0.31   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.788, support = 1.72, residual support = 4.93:
          QG1   VAL  107 - QD    PHE   97   3.83 +/- 0.88  62.116% * 66.3168% (0.84   1.74   5.46) =  88.530%  kept
          HG13  ILE  119 - QD    PHE   97   9.82 +/- 3.11  16.417% * 31.4612% (0.41   1.67   0.91) =  11.100%  kept
          QG1   VAL   24 - QD    PHE   97  14.45 +/- 3.73  14.768% *  0.9150% (1.00   0.02   0.02) =   0.290%  kept
          HB3   LEU   31 - QD    PHE   97  12.34 +/- 2.89   4.751% *  0.4102% (0.45   0.02   0.02) =   0.042%
          HD3   LYS+ 112 - QD    PHE   97  13.88 +/- 1.96   1.948% *  0.8969% (0.98   0.02   0.02) =   0.038%
    Distance limit 4.53 A violated in 1 structures by 0.14 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 2.99, residual support = 14.1:
          HB2   LEU  104 - QD    PHE   97   3.95 +/- 0.88  65.885% * 55.5072% (0.69   3.30  16.71) =  83.498%  kept
          QD1   ILE  119 - QD    PHE   97   9.05 +/- 2.51  17.642% * 35.2543% (0.95   1.52   0.91) =  14.200%  kept
          QG2   VAL  108 - QD    PHE   97   7.73 +/- 0.78  11.095% *  8.9413% (0.53   0.69   0.02) =   2.265%  kept
          HB    VAL   75 - QD    PHE   97  10.92 +/- 1.43   5.379% *  0.2972% (0.61   0.02   0.02) =   0.036%
    Distance limit 4.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.46, residual support = 1.91:
          QG2   THR  118 - QD    PHE   97   5.23 +/- 3.87  62.492% * 97.7215% (0.20   1.48   1.94) =  98.620%  kept
          QG2   VAL   70 - QD    PHE   97   6.47 +/- 2.63  37.508% *  2.2785% (0.34   0.02   0.02) =   1.380%  kept
    Distance limit 4.87 A violated in 2 structures by 0.64 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.953, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.89 +/- 1.46  74.195% * 85.0969% (1.00   0.02   0.02) =  94.259%  kept
          QB    ALA   47 - QD    PHE   97  13.87 +/- 1.40  25.805% * 14.9031% (0.18   0.02   0.02) =   5.741%  kept
    Distance limit 5.25 A violated in 20 structures by 3.40 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.93, residual support = 29.3:
          HN    LEU  115 - QD    PHE   59   4.86 +/- 0.82  67.584% * 99.0627% (0.97   2.93  29.39) =  99.848%  kept
          HN    PHE   97 - QD    PHE   59  11.07 +/- 2.48  10.624% *  0.6760% (0.97   0.02   0.02) =   0.107%  kept
          HN    ASP- 113 - QD    PHE   59   7.79 +/- 1.21  20.156% *  0.1386% (0.20   0.02   0.02) =   0.042%
          HN    ALA   12 - QD    PHE   59  23.23 +/- 4.42   1.636% *  0.1227% (0.18   0.02   0.02) =   0.003%
    Distance limit 5.47 A violated in 1 structures by 0.16 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 2.95, residual support = 57.4:
          HA    PHE   59 - QD    PHE   59   2.34 +/- 0.52  80.001% * 77.9672% (0.61   3.01  58.44) =  97.365%  kept
          HA    ILE   56 - QD    PHE   59   6.15 +/- 0.99   8.229% * 19.4002% (0.61   0.75  20.24) =   2.492%  kept
          HA    ASP- 113 - QD    PHE   59   7.03 +/- 1.26   9.611% *  0.8511% (1.00   0.02   0.02) =   0.128%  kept
          HA    LEU  123 - QD    PHE   59  10.13 +/- 0.93   1.290% *  0.4152% (0.49   0.02   0.02) =   0.008%
          HA    LYS+  99 - QD    PHE   59  15.41 +/- 2.70   0.411% *  0.6830% (0.80   0.02   0.02) =   0.004%
          HA    ASN   35 - QD    PHE   59  19.36 +/- 2.69   0.246% *  0.5518% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  19.17 +/- 2.25   0.213% *  0.1316% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 0.987, support = 2.29, residual support = 21.2:
        T HA    ILE  119 - QD    PHE   59   4.21 +/- 1.11  63.027% * 51.2610% (1.00 10.00   2.35  23.61) =  78.640%  kept
        T HA    THR  118 - QD    PHE   59   6.71 +/- 0.86  18.047% * 48.5987% (0.95 10.00   2.04  12.40) =  21.348%  kept
          HA2   GLY  109 - QD    PHE   59  11.25 +/- 2.01   6.453% *  0.0353% (0.69  1.00   0.02   0.02) =   0.006%
          HA    VAL   75 - QD    PHE   59  12.66 +/- 2.28   9.148% *  0.0102% (0.20  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD    PHE   59  15.76 +/- 1.86   1.780% *  0.0504% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD    PHE   59  17.55 +/- 2.07   1.544% *  0.0446% (0.87  1.00   0.02   0.02) =   0.002%
    Distance limit 5.23 A violated in 1 structures by 0.16 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.71, residual support = 58.4:
      O   HB2   PHE   59 - QD    PHE   59   2.64 +/- 0.17  86.365% * 99.6982% (0.97  10.0   2.71  58.44) =  99.990%  kept
          QB    PHE   55 - QD    PHE   59   7.93 +/- 1.33   4.758% *  0.0789% (0.76   1.0   0.02   0.02) =   0.004%
          HD3   PRO   68 - QD    PHE   59  10.31 +/- 2.35   2.720% *  0.0710% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - QD    PHE   59  10.74 +/- 1.76   1.779% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - QD    PHE   59   9.72 +/- 1.55   2.358% *  0.0463% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.61 +/- 1.87   2.020% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.72 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 = 58.4:
      O   HB3   PHE   59 - QD    PHE   59   2.43 +/- 0.14  99.592% * 99.9680% (0.97  10.0   3.15  58.44) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.32 +/- 2.16   0.408% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.875, support = 2.66, residual support = 26.6:
          HB2   PRO   58 - QD    PHE   59   5.88 +/- 1.10  39.317% * 68.4509% (0.99   2.97  39.92) =  66.222%  kept
          HB2   GLN  116 - QD    PHE   59   5.52 +/- 1.12  44.349% * 30.8282% (0.65   2.05   0.53) =  33.641%  kept
          HB3   PHE   97 - QD    PHE   59  10.70 +/- 2.78  13.806% *  0.3725% (0.80   0.02   0.02) =   0.127%  kept
          HB2   GLU- 100 - QD    PHE   59  19.47 +/- 2.49   0.955% *  0.2448% (0.53   0.02   0.02) =   0.006%
          HG3   GLU-  25 - QD    PHE   59  22.75 +/- 4.35   1.573% *  0.1036% (0.22   0.02   0.02) =   0.004%
    Distance limit 5.04 A violated in 0 structures by 0.01 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   3.67 +/- 0.56  78.914% * 99.3301% (0.97 10.00   1.97  20.24) =  99.974%  kept
          QD    LYS+ 106 - QD    PHE   59  12.20 +/- 2.11   3.313% *  0.4218% (0.34  1.00   0.24   0.02) =   0.018%
          HB2   LEU   73 - QD    PHE   59  12.74 +/- 3.21  13.062% *  0.0207% (0.20  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  99 - QD    PHE   59  15.64 +/- 2.73   1.534% *  0.1044% (1.00  1.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QD    PHE   59  16.68 +/- 2.30   1.122% *  0.0838% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  14.20 +/- 2.75   2.055% *  0.0393% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 5.10 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 = 0.547, support = 2.44, residual support = 28.4:
          HB3   LEU  115 - QD    PHE   59   3.03 +/- 1.57  38.463% * 61.5835% (0.65   2.37  29.39) =  77.970%  kept
          HG    LEU  115 - QD    PHE   59   3.43 +/- 1.03  30.119% * 18.8238% (0.15   3.04  29.39) =  18.663%  kept
          QB    ALA   61 - QD    PHE   59   6.25 +/- 0.51   7.442% *  6.4400% (0.69   0.23   0.58) =   1.578%  kept
          QB    ALA  120 - QD    PHE   59   7.29 +/- 0.32   5.336% *  8.1354% (0.15   1.31   0.02) =   1.429%  kept
          QG    LYS+  66 - QD    PHE   59   8.09 +/- 2.45   4.911% *  0.7751% (0.97   0.02   0.02) =   0.125%  kept
          HB3   LEU   67 - QD    PHE   59   9.76 +/- 2.49   2.674% *  0.6709% (0.84   0.02   0.02) =   0.059%
          HG    LEU   40 - QD    PHE   59  10.99 +/- 2.33   3.089% *  0.5196% (0.65   0.02   0.02) =   0.053%
          HG    LEU   73 - QD    PHE   59  13.09 +/- 3.29   1.516% *  0.8014% (1.00   0.02   0.02) =   0.040%
          HG    LEU   67 - QD    PHE   59  10.05 +/- 2.71   2.190% *  0.4226% (0.53   0.02   0.02) =   0.030%
          QB    ALA  110 - QD    PHE   59   8.91 +/- 1.42   2.232% *  0.3601% (0.45   0.02   0.02) =   0.026%
          HG    LEU   80 - QD    PHE   59  18.93 +/- 3.85   0.918% *  0.3910% (0.49   0.02   0.02) =   0.012%
          HG12  ILE   19 - QD    PHE   59  14.16 +/- 1.84   0.904% *  0.3015% (0.38   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - QD    PHE   59  19.78 +/- 2.93   0.205% *  0.7751% (0.97   0.02   0.02) =   0.005%
    Distance limit 5.50 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 = 0.438, support = 3.51, residual support = 22.2:
        T HG13  ILE  119 - QD    PHE   59   2.81 +/- 0.76  70.807% * 73.4037% (0.41 10.00   3.72  23.61) =  93.902%  kept
        T QG1   VAL  107 - QD    PHE   59   6.26 +/- 1.95  12.713% * 23.8606% (0.84 10.00   0.32   0.77) =   5.481%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.74 +/- 2.30  13.624% *  2.4770% (0.98  1.00   0.28   1.78) =   0.610%  kept
          QG1   VAL   24 - QD    PHE   59  16.06 +/- 3.70   2.054% *  0.1785% (1.00  1.00   0.02   0.02) =   0.007%
          HB3   LEU   31 - QD    PHE   59  17.12 +/- 3.09   0.802% *  0.0800% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.803, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.79 +/- 1.07  47.351% * 60.0043% (0.98   0.02   0.02) =  72.017%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.75 +/- 1.03  34.913% * 22.9752% (0.38   0.02   0.02) =  20.332%  kept
          HB3   LEU  104 - QD    PHE   59  13.99 +/- 2.81  17.735% * 17.0205% (0.28   0.02   0.02) =   7.651%  kept
    Distance limit 5.26 A violated in 20 structures by 2.67 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.48, residual support = 27.2:
          QD2   LEU  115 - QD    PHE   59   2.25 +/- 0.79  54.061% * 82.8495% (0.98   4.76  29.39) =  92.621%  kept
          QD1   LEU   63 - QD    PHE   59   4.18 +/- 1.74  23.892% * 14.5131% (0.92   0.89   0.02) =   7.171%  kept
          QD1   LEU   73 - QD    PHE   59  11.37 +/- 2.96   4.378% *  1.7685% (0.92   0.11   0.02) =   0.160%  kept
          QD2   LEU   63 - QD    PHE   59   4.68 +/- 1.78  16.347% *  0.1211% (0.34   0.02   0.02) =   0.041%
          QD2   LEU   80 - QD    PHE   59  15.58 +/- 3.10   0.503% *  0.3425% (0.97   0.02   0.02) =   0.004%
          QD1   LEU  104 - QD    PHE   59  11.82 +/- 2.44   0.538% *  0.2842% (0.80   0.02   0.02) =   0.003%
          QG1   VAL   83 - QD    PHE   59  15.45 +/- 2.35   0.282% *  0.1211% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 4.44, residual support = 29.4:
        T QD1   LEU  115 - QD    PHE   59   2.62 +/- 0.81  77.646% * 99.5252% (0.84 10.00   4.45  29.39) =  99.944%  kept
          QB    ALA   64 - QD    PHE   59   7.10 +/- 0.91   8.064% *  0.3978% (0.15  1.00   0.43   0.02) =   0.041%
          QG1   VAL   75 - QD    PHE   59   9.82 +/- 2.20  14.289% *  0.0771% (0.65  1.00   0.02   0.02) =   0.014%
    Distance limit 4.74 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 = 1.57, residual support = 29.0:
        T HA    LEU  115 - QE    PHE   59   2.88 +/- 0.97  74.117% * 91.7927% (0.73 10.00   1.58  29.39) =  98.711%  kept
          HA    GLU- 114 - QE    PHE   59   6.61 +/- 0.72  11.892% *  7.3262% (1.00  1.00   0.91   0.02) =   1.264%  kept
        T HA    ARG+  54 - QE    PHE   59  10.99 +/- 1.39   2.564% *  0.3177% (0.20 10.00   0.02   0.02) =   0.012%
          HA    ASN   28 - QE    PHE   59  17.85 +/- 4.17   3.444% *  0.1103% (0.69  1.00   0.02   0.02) =   0.006%
          HA    THR   26 - QE    PHE   59  19.64 +/- 3.58   1.224% *  0.1285% (0.80  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QE    PHE   59  10.37 +/- 1.99   5.262% *  0.0281% (0.18  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QE    PHE   59  16.24 +/- 2.73   1.031% *  0.1392% (0.87  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - QE    PHE   59  18.73 +/- 3.25   0.467% *  0.1573% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 5.02 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 = 1.84, residual support = 12.4:
        T HB    THR  118 - QE    PHE   59   2.94 +/- 1.12  94.474% * 99.7426% (0.95 10.00   1.84  12.40) =  99.997%  kept
          HA    ILE   89 - QE    PHE   59  16.95 +/- 2.46   1.457% *  0.0695% (0.61  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QE    PHE   59  14.88 +/- 3.03   1.419% *  0.0514% (0.45  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QE    PHE   59  18.87 +/- 3.56   1.259% *  0.0471% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QE    PHE   59  17.83 +/- 2.98   0.783% *  0.0695% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QE    PHE   59  22.49 +/- 3.02   0.608% *  0.0201% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 1 structures by 0.08 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.915, support = 1.13, residual support = 1.75:
          QE    LYS+ 112 - QE    PHE   59   6.99 +/- 2.45  30.583% * 73.0103% (1.00   1.37   1.78) =  72.771%  kept
          HB    VAL  107 - QE    PHE   59   6.44 +/- 2.96  35.981% * 19.3179% (0.80   0.45   0.77) =  22.653%  kept
          HB3   ASP-  62 - QE    PHE   59   6.19 +/- 1.25  25.726% *  5.2169% (0.14   0.72   6.36) =   4.374%  kept
          HB3   PHE   45 - QE    PHE   59  11.18 +/- 2.44   4.391% *  1.0640% (1.00   0.02   0.02) =   0.152%  kept
          HG2   GLU-  29 - QE    PHE   59  21.06 +/- 4.04   1.373% *  0.6468% (0.61   0.02   0.02) =   0.029%
          QG    GLN   32 - QE    PHE   59  19.05 +/- 3.21   1.302% *  0.2659% (0.25   0.02   0.02) =   0.011%
          HB3   ASP-  86 - QE    PHE   59  20.54 +/- 3.07   0.645% *  0.4781% (0.45   0.02   0.02) =   0.010%
    Distance limit 5.50 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 = 0.73, support = 4.19, residual support = 23.2:
          HG12  ILE  119 - QE    PHE   59   2.82 +/- 0.52  82.956% * 81.4791% (0.73   4.25  23.61) =  98.440%  kept
          HB2   ASP-  44 - QE    PHE   59   7.66 +/- 1.50   7.271% *  9.0272% (0.99   0.34   0.02) =   0.956%  kept
          HB3   PHE   72 - QE    PHE   59  10.62 +/- 3.20   5.445% *  7.3594% (1.00   0.28   0.02) =   0.584%  kept
          QG    GLU-  14 - QE    PHE   59  16.47 +/- 3.05   0.873% *  0.5270% (1.00   0.02   0.02) =   0.007%
          QG    GLU-  15 - QE    PHE   59  15.66 +/- 1.94   0.624% *  0.4997% (0.95   0.02   0.02) =   0.005%
          QG    GLN   90 - QE    PHE   59  17.51 +/- 1.61   0.539% *  0.5178% (0.98   0.02   0.02) =   0.004%
          HG3   MET   92 - QE    PHE   59  13.23 +/- 2.14   1.638% *  0.1317% (0.25   0.02   0.02) =   0.003%
          QB    MET   11 - QE    PHE   59  21.95 +/- 3.88   0.309% *  0.2779% (0.53   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   59  20.19 +/- 3.55   0.344% *  0.1802% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.78 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 = 0.711, support = 3.61, residual support = 17.6:
          HG13  ILE  119 - QE    PHE   59   3.25 +/- 0.78  44.895% * 59.6155% (0.73   4.35  23.61) =  73.194%  kept
          QG1   VAL  107 - QE    PHE   59   5.06 +/- 2.52  36.312% * 17.7078% (0.53   1.78   0.77) =  17.585%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.42 +/- 2.62  15.310% * 21.9666% (0.95   1.23   1.78) =   9.197%  kept
          QG1   VAL   24 - QE    PHE   59  16.15 +/- 3.78   1.843% *  0.3275% (0.87   0.02   0.02) =   0.017%
          HB3   LEU   31 - QE    PHE   59  16.45 +/- 3.70   0.649% *  0.2885% (0.76   0.02   0.02) =   0.005%
          QB    ALA   20 - QE    PHE   59  12.97 +/- 2.13   0.991% *  0.0941% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.71 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 = 0.829, support = 2.72, residual support = 26.2:
        T QD2   LEU  115 - QE    PHE   59   2.97 +/- 0.83  46.370% * 84.1172% (0.87 10.00   3.00  29.39) =  88.957%  kept
        T QD1   LEU   63 - QE    PHE   59   4.21 +/- 2.17  37.312% * 11.9830% (0.53 10.00   0.47   0.02) =  10.197%  kept
        T QD1   LEU   73 - QE    PHE   59  11.43 +/- 2.88  12.708% *  2.7542% (0.53 10.00   0.11   0.02) =   0.798%  kept
        T QD1   LEU  104 - QE    PHE   59  10.58 +/- 2.84   2.082% *  0.9676% (1.00 10.00   0.02   0.02) =   0.046%
          QD2   LEU   80 - QE    PHE   59  15.83 +/- 3.08   0.402% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   59  15.49 +/- 2.73   0.422% *  0.0741% (0.76  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  13.06 +/- 2.48   0.704% *  0.0170% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 2.96, residual support = 28.1:
          QD1   LEU  115 - QE    PHE   59   3.49 +/- 1.03  73.666% * 80.6424% (0.45   3.07  29.39) =  95.441%  kept
          QB    ALA   64 - QE    PHE   59   7.56 +/- 1.09  14.712% * 19.0313% (0.45   0.72   0.02) =   4.498%  kept
          QG1   VAL   75 - QE    PHE   59   9.99 +/- 2.43  11.622% *  0.3263% (0.28   0.02   0.02) =   0.061%
    Distance limit 5.21 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 = 4.19, residual support = 12.4:
          QG2   THR  118 - QE    PHE   59   2.74 +/- 1.28 100.000% *100.0000% (0.80   4.19  12.40) = 100.000%  kept
    Distance limit 5.08 A violated in 1 structures by 0.11 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.99, support = 1.11, residual support = 72.5:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  86.977% * 98.8907% (0.99  10.0   1.11  72.61) =  99.887%  kept
          QE    PHE   59 - QE    PHE   60   7.34 +/- 2.46  11.420% *  0.8352% (0.28   1.0   0.33  20.17) =   0.111%  kept
          HN    LYS+  66 - QE    PHE   60   9.90 +/- 1.17   1.211% *  0.1371% (0.76   1.0   0.02   0.02) =   0.002%
          HN    LYS+  81 - QE    PHE   60  15.60 +/- 3.55   0.392% *  0.1371% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 0.835, support = 1.19, residual support = 3.7:
          HB3   PHE   72 - QE    PHE   60   8.82 +/- 2.96  18.164% * 57.2349% (0.87   1.72   5.60) =  48.948%  kept
          HB2   ASP-  44 - QE    PHE   60   5.20 +/- 2.18  38.504% * 22.0035% (0.76   0.75   2.39) =  39.890%  kept
          HG12  ILE  119 - QE    PHE   60   9.33 +/- 2.36  12.661% * 17.6375% (0.98   0.47   0.02) =  10.514%  kept
          QG    GLU-  14 - QE    PHE   60  14.82 +/- 3.84  10.844% *  0.6148% (0.80   0.02   0.02) =   0.314%  kept
          HG3   MET   92 - QE    PHE   60  12.08 +/- 3.77   4.754% *  0.4347% (0.57   0.02   0.02) =   0.097%
          HB2   ASP- 105 - QE    PHE   60  13.72 +/- 3.62   7.933% *  0.1709% (0.22   0.02   0.02) =   0.064%
          QG    GLU-  15 - QE    PHE   60  14.96 +/- 3.21   2.558% *  0.4967% (0.65   0.02   0.02) =   0.060%
          QG    GLN   90 - QE    PHE   60  14.52 +/- 3.03   1.739% *  0.7088% (0.92   0.02   0.02) =   0.058%
          HB2   GLU-  29 - QE    PHE   60  16.98 +/- 3.19   1.915% *  0.5274% (0.69   0.02   0.02) =   0.048%
          QB    MET   11 - QE    PHE   60  20.15 +/- 4.31   0.927% *  0.1709% (0.22   0.02   0.02) =   0.007%
    Distance limit 5.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.98, support = 1.33, residual support = 3.34:
          HB    VAL   42 - QE    PHE   60   8.81 +/- 2.87  14.472% * 58.1233% (1.00  1.00   1.77   4.65) =  66.839%  kept
          HB3   LEU   73 - QE    PHE   60   8.51 +/- 2.55  12.644% * 18.2618% (0.98  1.00   0.57   1.20) =  18.348%  kept
          HB2   LYS+ 112 - QE    PHE   60  10.59 +/- 3.88   7.301% * 12.2891% (0.92  1.00   0.40   0.15) =   7.130%  kept
          HG3   LYS+  65 - QE    PHE   60   9.65 +/- 2.56  12.387% *  6.4149% (1.00  1.00   0.20   0.02) =   6.314%  kept
        T QB    ALA   84 - QE    PHE   60  12.27 +/- 2.65   3.269% *  1.6398% (0.25 10.00   0.02   0.02) =   0.426%  kept
          HB3   PRO   93 - QE    PHE   60   7.37 +/- 3.74  19.859% *  0.1828% (0.28  1.00   0.02   0.02) =   0.289%  kept
          HB3   LYS+  74 - QE    PHE   60   7.62 +/- 3.08  18.308% *  0.1640% (0.25  1.00   0.02   0.02) =   0.239%  kept
          HG3   LYS+  33 - QE    PHE   60  16.37 +/- 2.78   2.843% *  0.6561% (1.00  1.00   0.02   0.02) =   0.148%  kept
          QB    ALA   12 - QE    PHE   60  17.29 +/- 4.32   2.552% *  0.5026% (0.76  1.00   0.02   0.02) =   0.102%  kept
          HG3   LYS+ 106 - QE    PHE   60  13.76 +/- 3.19   1.683% *  0.5493% (0.84  1.00   0.02   0.02) =   0.073%
          QB    LEU   98 - QE    PHE   60  12.66 +/- 1.92   1.819% *  0.3201% (0.49  1.00   0.02   0.02) =   0.046%
          HG3   LYS+ 102 - QE    PHE   60  20.33 +/- 2.61   0.434% *  0.6346% (0.97  1.00   0.02   0.02) =   0.022%
          HG    LEU   98 - QE    PHE   60  14.07 +/- 2.62   1.427% *  0.1152% (0.18  1.00   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - QE    PHE   60  14.86 +/- 3.24   1.002% *  0.1464% (0.22  1.00   0.02   0.02) =   0.012%
    Distance limit 5.49 A violated in 0 structures by 0.13 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.199, support = 1.27, residual support = 4.19:
        T QD1   ILE   56 - QE    PHE   60   5.67 +/- 2.29  72.473% * 98.7027% (0.20 10.00   1.27   4.20) =  99.752%  kept
          QD2   LEU  123 - QE    PHE   60  13.48 +/- 1.81  13.102% *  0.7261% (0.92  1.00   0.02   0.02) =   0.133%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.07 +/- 3.14  14.425% *  0.5712% (0.73  1.00   0.02   0.02) =   0.115%  kept
    Distance limit 5.50 A violated in 5 structures by 0.90 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 1.5, residual support = 3.29:
          QB    ALA   64 - QE    PHE   60   5.74 +/- 1.60  38.526% * 59.1492% (0.84   1.20   2.48) =  61.735%  kept
          QG1   VAL   42 - QE    PHE   60   6.52 +/- 2.42  34.679% * 40.3209% (0.34   2.00   4.65) =  37.881%  kept
          QB    ALA   47 - QE    PHE   60   8.39 +/- 2.72  26.795% *  0.5300% (0.45   0.02   0.02) =   0.385%  kept
    Distance limit 5.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.812, support = 2.21, residual support = 3.45:
          HB2   ASP-  44 - QD    PHE   60   4.35 +/- 2.07  45.553% * 40.5363% (0.87   1.95   2.39) =  60.644%  kept
          HB3   PHE   72 - QD    PHE   60   8.69 +/- 3.01  21.319% * 51.0854% (0.76   2.79   5.60) =  35.768%  kept
          HG12  ILE  119 - QD    PHE   60   7.95 +/- 1.77  15.593% *  6.5991% (0.34   0.81   0.02) =   3.379%  kept
          QG    GLU-  14 - QD    PHE   60  14.86 +/- 3.37  12.016% *  0.4000% (0.84   0.02   0.02) =   0.158%  kept
          QG    GLU-  15 - QD    PHE   60  14.88 +/- 2.60   1.623% *  0.4530% (0.95   0.02   0.02) =   0.024%
          QB    MET   11 - QD    PHE   60  20.27 +/- 4.01   0.823% *  0.4295% (0.90   0.02   0.02) =   0.012%
          QG    GLN   90 - QD    PHE   60  14.77 +/- 2.48   0.869% *  0.3290% (0.69   0.02   0.02) =   0.009%
          HG2   MET   92 - QD    PHE   60  12.26 +/- 2.97   1.752% *  0.0839% (0.18   0.02   0.02) =   0.005%
          HG3   GLU-  36 - QD    PHE   60  21.33 +/- 2.98   0.453% *  0.0839% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 90.4:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.176% * 99.8968% (0.87  10.0   3.31  90.40) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  10.63 +/- 1.71   1.233% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.94 +/- 1.45   0.591% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.67, support = 2.92, residual support = 4.6:
          QD    PHE   60 - QD    PHE   72   6.78 +/- 1.85  33.734% * 79.9020% (0.76   3.29   5.60) =  81.407%  kept
          HE3   TRP   27 - QD    PHE   72   6.46 +/- 1.57  37.064% * 11.3396% (0.25   1.43   0.21) =  12.694%  kept
          HN    LYS+  66 - QD    PHE   72   7.27 +/- 0.88  24.168% *  8.0036% (0.28   0.91   0.25) =   5.842%  kept
          HN    LYS+  81 - QD    PHE   72  15.98 +/- 1.75   2.531% *  0.6292% (0.99   0.02   0.02) =   0.048%
          QD    PHE   55 - QD    PHE   72  14.96 +/- 2.14   2.504% *  0.1256% (0.20   0.02   0.02) =   0.009%
    Distance limit 4.71 A violated in 0 structures by 0.68 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.513, support = 1.11, residual support = 10.2:
          HN    LEU   63 - QD    PHE   72   7.34 +/- 0.77  30.170% * 46.0847% (0.80   0.52  15.96) =  48.053%  kept
          QE    PHE   60 - QD    PHE   72   7.04 +/- 1.81  37.024% * 35.9784% (0.18   1.86   5.60) =  46.037%  kept
          HD21  ASN   28 - QD    PHE   72  11.41 +/- 1.82  10.963% *  8.9556% (0.90   0.09   0.02) =   3.393%  kept
          HZ2   TRP   87 - QD    PHE   72  14.06 +/- 3.87   9.953% *  6.1075% (0.73   0.08   0.02) =   2.101%  kept
          HN    ILE   56 - QD    PHE   72  14.20 +/- 2.20   4.737% *  1.5136% (0.69   0.02   0.02) =   0.248%  kept
          HN    ALA   84 - QD    PHE   72  15.62 +/- 1.64   3.914% *  0.6801% (0.31   0.02   0.02) =   0.092%
          HN    LYS+ 111 - QD    PHE   72  16.35 +/- 2.74   3.239% *  0.6801% (0.31   0.02   0.02) =   0.076%
    Distance limit 5.43 A violated in 3 structures by 0.80 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.63, residual support = 90.4:
          HN    PHE   72 - QD    PHE   72   2.32 +/- 0.50  98.671% * 99.8238% (0.98   5.63  90.40) =  99.998%  kept
          HN    LEU  104 - QD    PHE   72  12.04 +/- 1.83   1.329% *  0.1762% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.88 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 = 2.1, residual support = 90.4:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.641% * 52.6465% (0.76  10.0 10.00   1.08  90.40) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.504% * 47.3200% (0.69  10.0 10.00   3.31  90.40) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   7.61 +/- 1.43   1.854% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 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 = 0.608, support = 1.08, residual support = 3.92:
          QD    PHE   60 - QE    PHE   72   6.22 +/- 1.37  33.290% * 65.6482% (0.76   1.19   5.60) =  68.659%  kept
          HN    LYS+  66 - QE    PHE   72   5.71 +/- 0.90  40.238% * 15.4467% (0.28   0.77   0.25) =  19.527%  kept
          HE3   TRP   27 - QE    PHE   72   7.82 +/- 1.67  21.661% * 17.1888% (0.25   0.96   0.21) =  11.697%  kept
          HN    LYS+  81 - QE    PHE   72  15.39 +/- 1.39   2.058% *  1.4307% (0.99   0.02   0.02) =   0.093%
          QD    PHE   55 - QE    PHE   72  14.21 +/- 1.70   2.753% *  0.2857% (0.20   0.02   0.02) =   0.025%
    Distance limit 4.93 A violated in 0 structures by 0.22 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.08, residual support = 90.4:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.919% * 99.8375% (1.00  10.0   1.08  90.40) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  13.75 +/- 2.17   0.539% *  0.1052% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  14.21 +/- 2.20   0.542% *  0.0574% (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 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.64, residual support = 90.4:
          HA    PHE   72 - QD    PHE   72   3.68 +/- 0.19  93.688% * 99.8363% (0.90   4.64  90.40) =  99.989%  kept
          HA    MET   96 - QD    PHE   72   9.89 +/- 1.82   6.312% *  0.1637% (0.34   0.02   0.02) =   0.011%
    Distance limit 5.43 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 = 0.53, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  12.35 +/- 1.47  17.871% * 28.8048% (0.65   0.02   0.02) =  31.637%  kept
          HA    PHE   45 - QD    PHE   72   8.67 +/- 1.23  44.278% *  9.9133% (0.22   0.02   0.02) =  26.977%  kept
          HA    ASP-  78 - QD    PHE   72  14.58 +/- 0.55   9.703% * 41.1037% (0.92   0.02   0.02) =  24.511%  kept
          HA    LEU   80 - QD    PHE   72  14.83 +/- 2.15  12.022% * 12.3802% (0.28   0.02   0.02) =   9.147%  kept
          HB    THR   23 - QD    PHE   72  13.24 +/- 1.89  16.127% *  7.7981% (0.18   0.02   0.02) =   7.729%  kept
    Distance limit 5.39 A violated in 18 structures by 2.66 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.661, support = 3.97, residual support = 62.7:
        T HA    ALA   64 - QD    PHE   72   3.73 +/- 0.68  26.999% * 82.2895% (0.92   1.0 10.00   3.62  47.11) =  63.920%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.39 +/- 0.11  71.082% * 17.6413% (0.20  10.0 10.00   4.59  90.40) =  36.078%  kept
          QE    LYS+  66 - QD    PHE   72  10.07 +/- 1.68   1.447% *  0.0222% (0.25   1.0  1.00   0.02   0.25) =   0.001%
          HB3   ASN   35 - QD    PHE   72  13.25 +/- 1.26   0.472% *  0.0469% (0.53   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 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.88, residual support = 90.4:
      O T HB3   PHE   72 - QD    PHE   72   2.46 +/- 0.11  78.853% * 99.4111% (0.98  10.0 10.00   4.89  90.40) =  99.977%  kept
          HB2   ASP-  44 - QD    PHE   72   6.00 +/- 1.43   9.650% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.012%
          QG    GLU-  15 - QD    PHE   72  10.14 +/- 2.77   7.131% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          QG    GLU-  14 - QD    PHE   72  10.97 +/- 2.14   1.344% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - QD    PHE   72  11.45 +/- 2.08   1.313% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   72  12.72 +/- 1.51   0.669% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  16.79 +/- 1.64   0.278% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.04 +/- 2.94   0.417% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.37 +/- 2.04   0.344% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.74, support = 2.35, residual support = 16.9:
        T HB    VAL   42 - QD    PHE   72   5.23 +/- 2.12  28.627% * 43.8031% (0.80 10.00   0.54   0.39) =  48.249%  kept
          HB3   LEU   73 - QD    PHE   72   4.71 +/- 0.77  27.857% * 34.4605% (0.73  1.00   4.66  44.61) =  36.937%  kept
          HB3   LYS+  74 - QD    PHE   72   5.59 +/- 1.57  23.195% * 15.2696% (0.57  1.00   2.65   1.75) =  13.628%  kept
          HG3   LYS+  65 - QD    PHE   72   8.48 +/- 1.32   6.595% *  4.2600% (0.80  1.00   0.52   0.02) =   1.081%  kept
        T HB2   LYS+ 112 - QD    PHE   72  15.55 +/- 3.00   0.654% *  1.2354% (0.61 10.00   0.02   0.02) =   0.031%
          QB    LEU   98 - QD    PHE   72   8.82 +/- 1.76   4.426% *  0.1701% (0.84  1.00   0.02   0.02) =   0.029%
          HG3   LYS+  33 - QD    PHE   72  10.57 +/- 1.70   2.417% *  0.1767% (0.87  1.00   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - QD    PHE   72  14.17 +/- 3.79   2.109% *  0.1072% (0.53  1.00   0.02   0.02) =   0.009%
          QB    ALA   12 - QD    PHE   72  13.43 +/- 2.24   1.012% *  0.2019% (0.99  1.00   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - QD    PHE   72  13.14 +/- 1.56   1.070% *  0.0991% (0.49  1.00   0.02   0.02) =   0.004%
          HB2   LEU   80 - QD    PHE   72  13.51 +/- 2.67   1.363% *  0.0764% (0.38  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QD    PHE   72  16.39 +/- 2.29   0.676% *  0.1399% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 4.86 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 = 0.482, support = 1.53, residual support = 21.8:
        T QD1   LEU   67 - QD    PHE   72   3.94 +/- 0.86  41.116% * 74.7060% (0.41 10.00   1.50  25.14) =  85.663%  kept
          HB    VAL   75 - QD    PHE   72   5.37 +/- 1.08  22.236% * 20.8577% (0.98  1.00   1.76   1.78) =  12.934%  kept
          HG3   LYS+  74 - QD    PHE   72   6.66 +/- 1.42  15.484% *  2.8803% (0.22  1.00   1.07   1.75) =   1.244%  kept
        T QD1   ILE  119 - QD    PHE   72  10.08 +/- 1.89   3.182% *  1.2747% (0.53 10.00   0.02   0.02) =   0.113%  kept
          QD2   LEU   40 - QD    PHE   72   6.21 +/- 1.12  11.769% *  0.1086% (0.45  1.00   0.02   0.02) =   0.036%
          QG2   ILE  103 - QD    PHE   72  10.98 +/- 1.65   2.620% *  0.0748% (0.31  1.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - QD    PHE   72  12.08 +/- 2.01   1.675% *  0.0604% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.52 +/- 1.65   1.918% *  0.0374% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 5.39 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 = 0.933, support = 6.51, residual support = 43.9:
          QD2   LEU   73 - QD    PHE   72   3.51 +/- 0.97  45.890% * 96.4868% (0.95   6.60  44.61) =  98.332%  kept
          QG1   VAL   43 - QD    PHE   72   5.58 +/- 2.11  30.201% *  2.0908% (0.15   0.88   0.02) =   1.402%  kept
          QG1   VAL   41 - QD    PHE   72   6.14 +/- 1.48  13.463% *  0.6956% (0.28   0.16   0.02) =   0.208%  kept
          HG    LEU   31 - QD    PHE   72   9.11 +/- 2.27   5.731% *  0.2581% (0.84   0.02   0.02) =   0.033%
          QD1   ILE   56 - QD    PHE   72  10.69 +/- 2.20   2.590% *  0.3062% (0.99   0.02   0.02) =   0.018%
          HG3   LYS+ 121 - QD    PHE   72  14.03 +/- 3.47   2.126% *  0.1625% (0.53   0.02   0.02) =   0.008%
    Distance limit 5.42 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 = 5.83, residual support = 47.1:
        T QB    ALA   64 - QD    PHE   72   2.95 +/- 0.51  95.300% * 99.9781% (0.80 10.00   5.83  47.11) =  99.999%  kept
          QD1   LEU  115 - QD    PHE   72   9.71 +/- 2.26   4.700% *  0.0219% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 3.98, residual support = 50.7:
        T QG2   VAL   70 - QD    PHE   72   2.16 +/- 0.46 100.000% *100.0000% (0.65 10.00   3.98  50.71) = 100.000%  kept
    Distance limit 5.14 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 = 0.377, support = 4.05, residual support = 46.9:
        T HA    ALA   64 - QE    PHE   72   2.45 +/- 0.51  94.608% * 90.6657% (0.38 10.00   4.07  47.11) =  99.530%  kept
          QE    LYS+  66 - QE    PHE   72   8.74 +/- 1.79   4.426% *  9.0949% (0.80  1.00   0.94   0.25) =   0.467%  kept
          HB3   ASN   35 - QE    PHE   72  14.52 +/- 1.74   0.966% *  0.2394% (0.99  1.00   0.02   0.02) =   0.003%
    Distance limit 4.48 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 = 0.99, support = 4.41, residual support = 49.0:
        T HB    VAL   70 - QE    PHE   72   2.40 +/- 0.81  72.883% * 86.7237% (0.99 10.00   4.55  50.71) =  96.667%  kept
        T QG    GLN   17 - QE    PHE   72   8.98 +/- 3.82  16.668% * 13.0379% (0.97 10.00   0.31   0.02) =   3.324%  kept
          HB2   MET   96 - QE    PHE   72   8.44 +/- 1.87   6.516% *  0.0731% (0.84  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  76 - QE    PHE   72   9.94 +/- 0.72   1.309% *  0.0270% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  15.55 +/- 1.74   0.398% *  0.0785% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  14.13 +/- 2.64   0.733% *  0.0328% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  13.29 +/- 2.05   0.925% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.77 +/- 1.76   0.566% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.472, support = 2.99, residual support = 23.2:
        T HB2   LEU   67 - QE    PHE   72   3.38 +/- 1.29  45.596% * 78.9269% (0.45 10.00   3.12  25.14) =  91.884%  kept
          HB    ILE   19 - QE    PHE   72   8.04 +/- 3.58  18.286% *  9.9042% (0.73  1.00   1.55   1.60) =   4.624%  kept
          HG2   PRO   68 - QE    PHE   72   7.69 +/- 1.46  12.761% * 10.2104% (0.80  1.00   1.45   0.40) =   3.327%  kept
          HB    VAL   18 - QE    PHE   72   7.64 +/- 5.33  13.428% *  0.4289% (0.22  1.00   0.22   1.56) =   0.147%  kept
          HB2   LEU  115 - QE    PHE   72  11.26 +/- 2.39   1.546% *  0.1470% (0.84  1.00   0.02   0.02) =   0.006%
          QB    GLU- 114 - QE    PHE   72  12.97 +/- 2.46   1.376% *  0.1139% (0.65  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - QE    PHE   72  13.14 +/- 0.99   0.833% *  0.1527% (0.87  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - QE    PHE   72  11.04 +/- 2.73   3.042% *  0.0308% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QE    PHE   72  10.19 +/- 3.59   2.239% *  0.0308% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QE    PHE   72  15.80 +/- 1.57   0.893% *  0.0543% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.611, support = 2.31, residual support = 12.9:
          HB3   LEU   67 - QE    PHE   72   3.34 +/- 1.22  42.902% * 25.1227% (0.38   3.02  25.14) =  47.924%  kept
          HB3   LYS+  74 - QE    PHE   72   5.58 +/- 1.69  20.148% * 34.5939% (0.90   1.74   1.75) =  30.992%  kept
          HG12  ILE   19 - QE    PHE   72   8.00 +/- 3.74  12.789% * 29.9866% (0.84   1.62   1.60) =  17.052%  kept
          QG    LYS+  66 - QE    PHE   72   7.01 +/- 1.41  12.238% *  6.2434% (0.22   1.26   0.25) =   3.397%  kept
          QB    ALA   61 - QE    PHE   72   6.53 +/- 0.86   5.899% *  2.0897% (0.53   0.18   0.02) =   0.548%  kept
          QB    LEU   98 - QE    PHE   72   9.37 +/- 1.68   1.860% *  0.2870% (0.65   0.02   0.02) =   0.024%
          HB2   LEU   80 - QE    PHE   72  13.03 +/- 2.36   0.934% *  0.4397% (0.99   0.02   0.02) =   0.018%
          HG    LEU   80 - QE    PHE   72  13.55 +/- 3.30   1.085% *  0.3221% (0.73   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - QE    PHE   72  13.79 +/- 3.27   0.808% *  0.4095% (0.92   0.02   0.02) =   0.015%
          QB    ALA  110 - QE    PHE   72  13.68 +/- 2.13   0.585% *  0.3390% (0.76   0.02   0.02) =   0.009%
          QB    ALA   12 - QE    PHE   72  14.17 +/- 2.44   0.753% *  0.1665% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.57 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 = 0.441, support = 3.75, residual support = 23.7:
        T QD1   LEU   67 - QE    PHE   72   2.67 +/- 0.58  53.290% * 83.0895% (0.41 10.00   3.91  25.14) =  93.801%  kept
          HB    VAL   75 - QE    PHE   72   4.54 +/- 1.02  18.443% * 14.1804% (0.98  1.00   1.43   1.78) =   5.541%  kept
          HG3   LYS+  74 - QE    PHE   72   5.93 +/- 1.92  20.226% *  1.4322% (0.22  1.00   0.64   1.75) =   0.614%  kept
        T QD1   ILE  119 - QE    PHE   72   9.45 +/- 1.62   1.511% *  1.0633% (0.53 10.00   0.02   0.02) =   0.034%
          QD2   LEU   40 - QE    PHE   72   6.66 +/- 0.95   4.144% *  0.0906% (0.45  1.00   0.02   0.02) =   0.008%
          QG2   ILE  103 - QE    PHE   72  11.19 +/- 1.65   0.944% *  0.0624% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  12.35 +/- 2.22   0.579% *  0.0504% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.19 +/- 1.65   0.862% *  0.0312% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.38 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 = 0.548, support = 4.24, residual support = 24.1:
          HB3   LEU   63 - QE    PHE   72   4.79 +/- 1.65  24.144% * 73.8941% (0.73   4.35  15.96) =  66.845%  kept
          QG1   VAL   70 - QE    PHE   72   3.43 +/- 0.78  35.451% * 19.7467% (0.18   4.82  50.71) =  26.229%  kept
          QG1   VAL   18 - QE    PHE   72   5.82 +/- 4.85  31.899% *  5.7508% (0.25   0.99   1.56) =   6.873%  kept
          QD1   LEU   40 - QE    PHE   72   5.62 +/- 0.99   7.939% *  0.1445% (0.31   0.02   0.02) =   0.043%
          QG1   VAL  108 - QE    PHE   72  13.38 +/- 1.76   0.567% *  0.4640% (0.99   0.02   0.02) =   0.010%
    Distance limit 4.57 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 = 0.872, support = 3.57, residual support = 22.3:
          QD1   LEU   63 - QE    PHE   72   4.54 +/- 1.02  27.545% * 37.7618% (0.98   3.56  15.96) =  41.124%  kept
          QD2   LEU   63 - QE    PHE   72   4.29 +/- 1.04  31.894% * 29.0385% (0.69   3.90  15.96) =  36.616%  kept
          QD1   LEU   73 - QE    PHE   72   6.33 +/- 1.27  17.140% * 32.6535% (0.98   3.08  44.61) =  22.128%  kept
          QG2   VAL   41 - QE    PHE   72   6.68 +/- 1.56  12.322% *  0.1432% (0.18   0.08   0.02) =   0.070%
          QD2   LEU  115 - QE    PHE   72   9.25 +/- 1.82   4.968% *  0.1573% (0.73   0.02   0.02) =   0.031%
          QD2   LEU   80 - QE    PHE   72  10.87 +/- 2.54   3.911% *  0.1488% (0.69   0.02   0.02) =   0.023%
          QD1   LEU  104 - QE    PHE   72  10.73 +/- 2.09   2.221% *  0.0971% (0.45   0.02   0.02) =   0.009%
    Distance limit 5.03 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 = 5.05, residual support = 46.7:
          QB    ALA   64 - QE    PHE   72   2.48 +/- 0.44  65.818% * 97.6772% (0.69   5.10  47.11) =  99.058%  kept
          QG1   VAL   42 - QE    PHE   72   4.41 +/- 1.79  32.400% *  1.8740% (0.49   0.14   0.39) =   0.936%  kept
          QB    ALA   47 - QE    PHE   72  11.82 +/- 1.39   1.119% *  0.3384% (0.61   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - QE    PHE   72  14.59 +/- 3.04   0.663% *  0.1104% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 5.35, residual support = 50.7:
        T QG2   VAL   70 - QE    PHE   72   2.63 +/- 0.53 100.000% *100.0000% (0.90 10.00   5.35  50.71) = 100.000%  kept
    Distance limit 4.53 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 = 2.92, residual support = 46.9:
        T HA    ALA   64 - HZ    PHE   72   3.06 +/- 0.73  85.079% * 96.9158% (0.65 10.00   2.93  47.11) =  99.524%  kept
          QE    LYS+  66 - HZ    PHE   72   9.37 +/- 2.26  13.268% *  2.9590% (0.53  1.00   0.75   0.25) =   0.474%  kept
          HB3   ASN   35 - HZ    PHE   72  17.10 +/- 2.38   1.652% *  0.1251% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.25, residual support = 50.0:
        T HB    VAL   70 - HZ    PHE   72   4.63 +/- 0.77  62.499% * 95.0725% (0.92 10.00   3.30  50.71) =  98.582%  kept
        T QG    GLN   17 - HZ    PHE   72  10.56 +/- 4.34  18.279% *  4.2283% (0.97 10.00   0.09   0.02) =   1.282%  kept
        T HB2   MET   96 - HZ    PHE   72   9.88 +/- 2.24  14.765% *  0.5419% (0.53 10.00   0.02   0.02) =   0.133%  kept
          HB2   GLU-  25 - HZ    PHE   72  18.35 +/- 2.12   1.059% *  0.1028% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.34 +/- 2.08   1.583% *  0.0387% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  16.63 +/- 3.20   1.816% *  0.0159% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.472, support = 2.79, residual support = 22.8:
        T HB2   LEU   67 - HZ    PHE   72   4.66 +/- 1.24  36.518% * 77.1937% (0.45 10.00   2.93  25.14) =  90.350%  kept
          HB    ILE   19 - HZ    PHE   72   9.80 +/- 4.13  16.887% * 10.3952% (0.73  1.00   1.66   1.60) =   5.626%  kept
          HG2   PRO   68 - HZ    PHE   72   9.30 +/- 1.90   9.454% *  9.9648% (0.80  1.00   1.45   0.40) =   3.019%  kept
          HB    VAL   18 - HZ    PHE   72   8.78 +/- 6.28  21.304% *  1.3207% (0.22  1.00   0.69   1.56) =   0.902%  kept
          HB2   GLN   17 - HZ    PHE   72  11.94 +/- 4.16   2.987% *  0.6378% (0.18  1.00   0.42   0.02) =   0.061%
          HB2   LEU  115 - HZ    PHE   72  12.36 +/- 2.76   4.113% *  0.1438% (0.84  1.00   0.02   0.02) =   0.019%
          QB    GLU- 114 - HZ    PHE   72  14.32 +/- 2.92   3.092% *  0.1114% (0.65  1.00   0.02   0.02) =   0.011%
          HG3   PRO   58 - HZ    PHE   72  14.31 +/- 1.42   1.299% *  0.1494% (0.87  1.00   0.02   0.02) =   0.006%
          QB    GLU-  15 - HZ    PHE   72  13.13 +/- 3.06   3.578% *  0.0302% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HZ    PHE   72  18.64 +/- 1.93   0.769% *  0.0531% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.621, support = 2.19, residual support = 12.4:
          HB3   LEU   67 - HZ    PHE   72   4.45 +/- 1.41  35.955% * 25.5162% (0.38   2.88  25.14) =  46.023%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.08 +/- 2.04  17.157% * 33.6429% (0.90   1.59   1.75) =  28.956%  kept
          HG12  ILE   19 - HZ    PHE   72   9.77 +/- 4.28  12.493% * 34.5546% (0.84   1.75   1.60) =  21.656%  kept
          QG    LYS+  66 - HZ    PHE   72   7.41 +/- 1.84  15.617% *  3.9472% (0.22   0.75   0.25) =   3.092%  kept
          QB    ALA   61 - HZ    PHE   72   7.16 +/- 1.14  10.697% *  0.2485% (0.53   0.02   0.02) =   0.133%  kept
          QB    LEU   98 - HZ    PHE   72  10.92 +/- 2.25   3.050% *  0.3055% (0.65   0.02   0.02) =   0.047%
          HD3   LYS+ 121 - HZ    PHE   72  15.55 +/- 3.39   1.201% *  0.4360% (0.92   0.02   0.02) =   0.026%
          HB2   LEU   80 - HZ    PHE   72  15.03 +/- 2.56   0.945% *  0.4681% (0.99   0.02   0.02) =   0.022%
          QB    ALA  110 - HZ    PHE   72  15.17 +/- 2.55   1.084% *  0.3609% (0.76   0.02   0.02) =   0.020%
          HG    LEU   80 - HZ    PHE   72  15.60 +/- 3.46   0.953% *  0.3429% (0.73   0.02   0.02) =   0.016%
          QB    ALA   12 - HZ    PHE   72  16.47 +/- 2.79   0.848% *  0.1772% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.96 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 = 0.548, support = 2.9, residual support = 19.4:
        T QD1   LEU   67 - HZ    PHE   72   3.14 +/- 0.52  60.221% * 36.5286% (0.41 10.00   3.39  25.14) =  75.455%  kept
        T HB    VAL   75 - HZ    PHE   72   6.30 +/- 0.91  11.296% * 62.2897% (0.98 10.00   1.43   1.78) =  24.135%  kept
          HG3   LYS+  74 - HZ    PHE   72   7.18 +/- 2.40  17.020% *  0.6111% (0.22  1.00   0.62   1.75) =   0.357%  kept
        T QD1   ILE  119 - HZ    PHE   72  10.30 +/- 2.05   2.681% *  0.4675% (0.53 10.00   0.02   0.02) =   0.043%
          QD2   LEU   40 - HZ    PHE   72   8.14 +/- 1.15   5.390% *  0.0398% (0.45  1.00   0.02   0.02) =   0.007%
          QG2   ILE  103 - HZ    PHE   72  12.74 +/- 2.18   1.390% *  0.0274% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  14.18 +/- 2.82   1.044% *  0.0222% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  13.70 +/- 1.95   0.959% *  0.0137% (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 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.798, support = 3.09, residual support = 24.4:
        T HB3   LEU   63 - HZ    PHE   72   4.98 +/- 2.40  35.252% * 68.9028% (0.95 10.00   3.23  15.96) =  73.951%  kept
        T QG1   VAL   70 - HZ    PHE   72   5.07 +/- 0.82  29.644% * 27.3373% (0.38 10.00   2.77  50.71) =  24.673%  kept
          QG1   VAL   18 - HZ    PHE   72   6.87 +/- 5.61  29.574% *  1.2048% (0.49  1.00   0.68   1.56) =   1.085%  kept
          QD1   LEU   71 - HZ    PHE   72   9.18 +/- 0.73   3.835% *  2.4799% (0.20  1.00   3.44  19.76) =   0.290%  kept
          QG1   VAL  108 - HZ    PHE   72  15.00 +/- 2.18   0.688% *  0.0608% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HZ    PHE   72  13.08 +/- 2.53   1.008% *  0.0144% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.872, support = 2.59, residual support = 21.8:
          QD1   LEU   63 - HZ    PHE   72   4.91 +/- 1.78  31.878% * 33.8536% (0.98   2.40  15.96) =  43.268%  kept
          QD2   LEU   63 - HZ    PHE   72   4.67 +/- 1.50  31.796% * 27.9047% (0.69   2.83  15.96) =  35.573%  kept
          QD1   LEU   73 - HZ    PHE   72   8.16 +/- 1.28  13.987% * 36.8985% (0.98   2.62  44.61) =  20.691%  kept
          QG2   VAL   41 - HZ    PHE   72   7.99 +/- 1.89  12.011% *  0.8079% (0.18   0.32   0.02) =   0.389%  kept
          QD2   LEU  115 - HZ    PHE   72  10.11 +/- 2.01   5.201% *  0.2088% (0.73   0.02   0.02) =   0.044%
          QD2   LEU   80 - HZ    PHE   72  12.56 +/- 2.65   3.250% *  0.1975% (0.69   0.02   0.02) =   0.026%
          QD1   LEU  104 - HZ    PHE   72  12.45 +/- 2.50   1.876% *  0.1289% (0.45   0.02   0.02) =   0.010%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.63, residual support = 50.7:
        T QG2   VAL   70 - HZ    PHE   72   4.27 +/- 0.47 100.000% *100.0000% (0.90 10.00   4.63  50.71) = 100.000%  kept
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.87, residual support = 74.4:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  74.44) = 100.000%  kept
    Distance limit 4.15 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 = 74.4:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.617% * 99.9913% (0.98  10.0   1.00  74.44) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.11 +/- 2.65   0.383% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 5.11 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 = 1.02, residual support = 74.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  96.342% * 99.8601% (0.98  10.0 10.00   1.02  74.44) =  99.998%  kept
          QD    PHE   97 - HE3   TRP   87  14.25 +/- 4.36   1.338% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HE3   TRP   87  18.39 +/- 4.84   2.320% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.93 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 = 74.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  97.460% * 99.5607% (0.99  10.0   1.00  74.44) =  99.996%  kept
          HD21  ASN   28 - HH2   TRP   87  16.46 +/- 7.69   1.400% *  0.1969% (0.98   1.0   0.02   0.02) =   0.003%
          QE    PHE   60 - HH2   TRP   87  16.26 +/- 3.98   0.670% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  19.79 +/- 3.95   0.278% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.48 +/- 3.01   0.192% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 74.4:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  91.945% * 99.7330% (0.90  10.0   1.00  74.44) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  24.58 +/- 4.53   0.151% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   6.03 +/- 0.46   7.155% *  0.0027% (0.01   1.0   0.02  20.24) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  21.30 +/- 2.67   0.176% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  15.91 +/- 1.33   0.392% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.48 +/- 3.01   0.181% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.858, support = 0.742, residual support = 2.3:
          HZ2   TRP   27 - HZ2   TRP   87  12.66 +/- 8.61  38.874% * 97.3298% (0.87   0.75   2.33) =  98.684%  kept
          HZ    PHE   72 - HZ2   TRP   87  15.88 +/- 3.89  19.038% *  2.5375% (0.15   0.11   0.02) =   1.260%  kept
          HZ2   TRP   27 - HN    ILE   56  20.19 +/- 2.89  13.942% *  0.1126% (0.04   0.02   0.02) =   0.041%
          HZ    PHE   72 - HN    ILE   56  14.75 +/- 1.86  28.146% *  0.0200% (0.01   0.02   0.02) =   0.015%
    Distance limit 4.83 A violated in 13 structures by 6.27 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.762, support = 0.02, residual support = 0.02:
          HD1   TRP   49 - HZ3   TRP   87  17.57 +/- 4.53  19.328% * 22.0041% (0.99   0.02   0.02) =  29.303%  kept
          QE    PHE   95 - HZ3   TRP   87  14.55 +/- 2.66  22.463% * 10.8062% (0.49   0.02   0.02) =  16.725%  kept
          HN    LEU   67 - HZ3   TRP   87  20.72 +/- 4.70  11.289% * 19.9101% (0.90   0.02   0.02) =  15.487%  kept
          HD2   HIS   22 - HZ3   TRP   87  21.42 +/- 7.87  10.306% * 20.4937% (0.92   0.02   0.02) =  14.552%  kept
          HN    THR   23 - HZ3   TRP   87  19.52 +/- 7.41  14.761% * 11.6802% (0.53   0.02   0.02) =  11.879%  kept
          HD21  ASN   35 - HZ3   TRP   87  22.84 +/- 8.22  12.125% * 11.6802% (0.53   0.02   0.02) =   9.758%  kept
          QD    PHE   55 - HZ3   TRP   87  20.04 +/- 3.56   9.728% *  3.4254% (0.15   0.02   0.02) =   2.296%  kept
    Distance limit 4.21 A violated in 19 structures by 6.52 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   3.87 +/- 0.20  96.778% * 97.7117% (0.38   3.72  22.71) =  99.974%  kept
          HN    GLU-  29 - HD1   TRP   87  20.96 +/- 6.81   1.252% *  1.1203% (0.80   0.02   0.02) =   0.015%
          HN    GLN   30 - HD1   TRP   87  20.51 +/- 6.60   1.341% *  0.4318% (0.31   0.02   0.02) =   0.006%
          HN    VAL   18 - HD1   TRP   87  23.52 +/- 6.53   0.629% *  0.7361% (0.53   0.02   0.02) =   0.005%
    Distance limit 5.36 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 = 1.61:
          QD1   LEU   31 - HH2   TRP   87  12.78 +/- 7.15 100.000% *100.0000% (0.80   0.75   1.61) = 100.000%  kept
    Distance limit 5.50 A violated in 14 structures by 7.45 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.532, support = 1.5, residual support = 3.17:
          QD2   LEU   98 - HH2   TRP   87  10.38 +/- 6.35  26.290% * 56.2034% (0.53  1.00   1.92   4.35) =  72.831%  kept
          QD1   LEU   80 - HH2   TRP   87   9.80 +/- 1.46  16.694% * 13.1830% (0.53  1.00   0.45   0.02) =  10.848%  kept
          QG2   VAL   41 - HH2   TRP   87  12.26 +/- 4.97   9.891% * 16.4101% (0.73  1.00   0.41   0.02) =   8.000%  kept
          QD1   LEU   73 - HH2   TRP   87  12.89 +/- 4.78  13.461% *  8.5214% (0.45  1.00   0.34   0.02) =   5.654%  kept
          QD2   LEU   80 - HH2   TRP   87   9.87 +/- 1.58  16.814% *  2.1413% (0.15  1.00   0.25   0.02) =   1.775%  kept
          QD2   LEU   63 - HH2   TRP   87  15.56 +/- 4.24   7.518% *  1.0915% (0.98  1.00   0.02   0.02) =   0.404%  kept
        T QD2   LEU  115 - HH2   TRP   87  17.29 +/- 2.99   3.610% *  1.9501% (0.18 10.00   0.02   0.02) =   0.347%  kept
          QD1   LEU   63 - HH2   TRP   87  15.10 +/- 4.25   5.722% *  0.4992% (0.45  1.00   0.02   0.02) =   0.141%  kept
    Distance limit 5.34 A violated in 10 structures by 1.50 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 1.97, residual support = 4.31:
          QD1   LEU   98 - HH2   TRP   87  10.23 +/- 6.41  38.424% * 97.7909% (0.76   1.99   4.35) =  99.189%  kept
          QD2   LEU  104 - HH2   TRP   87  14.35 +/- 6.36  12.600% *  0.9344% (0.73   0.02   0.02) =   0.311%  kept
          QG2   THR   46 - HH2   TRP   87  12.97 +/- 2.34  25.921% *  0.3209% (0.25   0.02   0.02) =   0.220%  kept
          QD1   ILE   19 - HH2   TRP   87  17.57 +/- 6.11  10.802% *  0.7285% (0.57   0.02   0.02) =   0.208%  kept
          QG2   VAL   18 - HH2   TRP   87  18.51 +/- 6.15  12.252% *  0.2254% (0.18   0.02   0.02) =   0.073%
    Distance limit 4.85 A violated in 11 structures by 3.65 A, kept.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.54, residual support = 74.4:
        T HA    TRP   87 - HE3   TRP   87   3.59 +/- 0.21  97.574% * 99.8092% (0.80 10.00   3.54  74.44) =  99.999%  kept
          HA    PHE   59 - HE3   TRP   87  21.17 +/- 2.95   0.594% *  0.1203% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HE3   TRP   87  18.84 +/- 5.79   1.355% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  22.64 +/- 3.35   0.478% *  0.0512% (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 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 74.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.38 +/- 0.03  99.678% * 99.0099% (1.00  10.0 10.00   3.23  74.44) =  99.997%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.79 +/- 3.75   0.322% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 5.22 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 = 0.934, support = 1.04, residual support = 4.38:
        T QD1   ILE  103 - HE3   TRP   87  10.37 +/- 5.86  31.241% * 96.8248% (0.95 10.00   1.05   4.38) =  98.212%  kept
          QG2   ILE  103 - HE3   TRP   87  11.49 +/- 5.18  18.997% *  2.6631% (0.28  1.00   0.98   4.38) =   1.643%  kept
          QD2   LEU   71 - HE3   TRP   87  18.25 +/- 3.82   8.348% *  0.1698% (0.87  1.00   0.02   0.02) =   0.046%
          QG2   ILE  119 - HE3   TRP   87  20.16 +/- 2.73   6.905% *  0.1957% (1.00  1.00   0.02   0.02) =   0.044%
          HG3   LYS+  74 - HE3   TRP   87  17.45 +/- 3.48  12.118% *  0.0735% (0.38  1.00   0.02   0.02) =   0.029%
          QD1   LEU   67 - HE3   TRP   87  15.49 +/- 3.24  14.856% *  0.0387% (0.20  1.00   0.02   0.02) =   0.019%
          QD2   LEU   40 - HE3   TRP   87  16.34 +/- 4.27   7.535% *  0.0343% (0.18  1.00   0.02   0.02) =   0.008%
    Distance limit 5.43 A violated in 11 structures by 4.57 A, kept.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 74.4:
          HA    TRP   87 - HD1   TRP   87   4.20 +/- 0.34  96.746% * 99.1106% (0.80   4.26  74.44) =  99.991%  kept
          HA    PHE   59 - HD1   TRP   87  20.94 +/- 2.50   0.940% *  0.5608% (0.97   0.02   0.02) =   0.005%
          HA    ASP- 113 - HD1   TRP   87  23.23 +/- 2.90   0.694% *  0.2389% (0.41   0.02   0.02) =   0.002%
          HA    LYS+  99 - HD1   TRP   87  20.54 +/- 5.20   1.620% *  0.0897% (0.15   0.02   0.02) =   0.002%
    Distance limit 5.35 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 = 16.4:
        T HA    VAL   83 - HD1   TRP   87   3.88 +/- 0.44  93.135% * 95.9068% (0.41 10.00   4.31  16.45) =  99.927%  kept
        T HA    VAL   24 - HD1   TRP   87  16.33 +/- 6.51   4.273% *  0.8755% (0.38 10.00   0.02   0.02) =   0.042%
        T HA    LYS+  38 - HD1   TRP   87  24.74 +/- 5.16   0.779% *  2.0922% (0.90 10.00   0.02   0.02) =   0.018%
        T HA    GLU- 100 - HD1   TRP   87  22.12 +/- 5.38   1.069% *  1.0459% (0.45 10.00   0.02   0.02) =   0.013%
          HD2   PRO   58 - HD1   TRP   87  21.05 +/- 2.35   0.744% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 5.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 74.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.90 +/- 0.01  98.535% * 99.0099% (1.00  10.0  1.00   3.94  74.44) =  99.985%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.01 +/- 2.98   1.465% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.015%
    Distance limit 5.26 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   3.02 +/- 0.30  90.267% * 98.2033% (1.00 10.00   3.60  22.71) =  99.987%  kept
        T HB2   ASN   28 - HD1   TRP   87  20.10 +/- 6.89   0.703% *  0.8221% (0.84 10.00   0.02   0.02) =   0.007%
        T HB2   ASN   35 - HD1   TRP   87  25.61 +/- 6.68   0.390% *  0.7881% (0.80 10.00   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HD1   TRP   87  11.09 +/- 2.44   7.774% *  0.0219% (0.22  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD1   TRP   87  19.82 +/- 3.12   0.507% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD1   TRP   87  22.71 +/- 5.85   0.360% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 74.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.87 +/- 0.07  95.369% * 99.2543% (0.25  10.0   3.80  74.44) =  99.989%  kept
          HG3   MET   96 - HD1   TRP   87  12.87 +/- 5.21   4.021% *  0.2254% (0.57   1.0   0.02   0.02) =   0.010%
          HG2   GLU-  36 - HD1   TRP   87  28.77 +/- 6.20   0.146% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  24.03 +/- 2.88   0.188% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  21.37 +/- 2.68   0.276% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.872, support = 3.66, residual support = 16.7:
        T QG2   VAL   83 - HD1   TRP   87   2.47 +/- 0.58  54.493% * 87.5423% (0.90 10.00   3.63  16.45) =  90.177%  kept
          QD1   ILE   89 - HD1   TRP   87   3.31 +/- 1.28  42.060% * 12.3522% (0.65  1.00   3.91  18.86) =   9.821%  kept
          QD2   LEU   31 - HD1   TRP   87  14.71 +/- 5.56   0.580% *  0.0923% (0.95  1.00   0.02   1.61) =   0.001%
          QG2   VAL   43 - HD1   TRP   87   9.22 +/- 3.58   2.866% *  0.0132% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.05 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 = 0.915, support = 1.24, residual support = 18.5:
        T QG2   ILE   89 - HD1   TRP   87   4.47 +/- 0.28  36.649% * 91.2080% (0.95 10.00   1.20  18.86) =  85.968%  kept
          QG1   VAL   83 - HD1   TRP   87   3.50 +/- 0.83  62.366% *  8.7473% (0.73  1.00   1.50  16.45) =  14.030%  kept
          QD1   LEU  104 - HD1   TRP   87  18.19 +/- 4.05   0.986% *  0.0447% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 5.41 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 = 0.495, support = 0.654, residual support = 3.12:
          QD2   LEU   98 - HZ2   TRP   87  10.88 +/- 6.14  17.429% * 56.4487% (0.53   0.75   4.35) =  71.581%  kept
          QD1   LEU   80 - HZ2   TRP   87   7.88 +/- 1.43   9.323% * 26.5299% (0.53   0.35   0.02) =  17.995%  kept
          QD2   LEU   80 - HZ2   TRP   87   8.00 +/- 1.50  11.385% *  7.0246% (0.15   0.32   0.02) =   5.819%  kept
          QD2   LEU  115 - HN    ILE   56   6.62 +/- 1.98  21.095% *  1.5753% (0.01   1.45   0.15) =   2.418%  kept
          QG2   VAL   41 - HZ2   TRP   87  12.39 +/- 4.84   6.076% *  2.0776% (0.73   0.02   0.02) =   0.918%  kept
          QD2   LEU   63 - HZ2   TRP   87  15.39 +/- 4.11   2.457% *  2.8045% (0.98   0.02   0.02) =   0.501%  kept
          QD1   LEU   73 - HZ2   TRP   87  12.30 +/- 4.47   4.624% *  1.2827% (0.45   0.02   0.02) =   0.432%  kept
          QD1   LEU   63 - HZ2   TRP   87  14.90 +/- 4.20   2.155% *  1.2827% (0.45   0.02   0.02) =   0.201%  kept
          QD2   LEU   63 - HN    ILE   56  10.85 +/- 1.52   3.894% *  0.1217% (0.04   0.02   0.02) =   0.034%
          QD2   LEU  115 - HZ2   TRP   87  17.27 +/- 2.80   0.867% *  0.5011% (0.18   0.02   0.02) =   0.032%
          QD1   LEU   63 - HN    ILE   56   9.71 +/- 1.60   5.397% *  0.0557% (0.02   0.02   0.02) =   0.022%
          QD1   LEU   73 - HN    ILE   56  14.98 +/- 3.72   3.979% *  0.0557% (0.02   0.02   0.02) =   0.016%
          QD2   LEU   80 - HN    ILE   56  17.43 +/- 4.16   7.411% *  0.0192% (0.01   0.02   0.02) =   0.010%
          QD1   LEU   80 - HN    ILE   56  17.79 +/- 4.15   1.973% *  0.0653% (0.02   0.02   0.02) =   0.009%
          QG2   VAL   41 - HN    ILE   56  17.01 +/- 1.81   1.074% *  0.0902% (0.03   0.02   0.02) =   0.007%
          QD2   LEU   98 - HN    ILE   56  18.12 +/- 1.59   0.861% *  0.0653% (0.02   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 1 structures by 0.32 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.191, support = 0.654, residual support = 1.41:
          QD1   LEU   31 - HZ2   TRP   87  12.48 +/- 7.23  23.413% * 92.4210% (0.15   0.75   1.61) =  86.913%  kept
          QG2   VAL   43 - HZ2   TRP   87   8.39 +/- 4.34  44.425% *  7.1612% (0.45   0.02   0.02) =  12.778%  kept
          QG2   VAL   43 - HN    ILE   56  14.04 +/- 1.17  20.941% *  0.3108% (0.02   0.02   0.02) =   0.261%  kept
          QD1   LEU   31 - HN    ILE   56  18.86 +/- 2.67  11.221% *  0.1070% (0.01   0.02   0.02) =   0.048%
    Distance limit 5.31 A violated in 10 structures by 2.78 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.745, support = 2.65, residual support = 57.6:
          HA    TRP   49 - HE3   TRP   49   4.70 +/- 0.24  41.996% * 52.1692% (0.69   3.20  85.70) =  64.705%  kept
          HA    CYS   50 - HE3   TRP   49   5.68 +/- 1.05  28.314% * 37.0759% (0.87   1.80   4.73) =  31.004%  kept
          HA    ALA   47 - HE3   TRP   49   7.67 +/- 1.19  14.545% *  9.7264% (0.76   0.54  15.94) =   4.178%  kept
          HA    CYS   21 - HE3   TRP   49  22.34 +/- 6.05  10.715% *  0.2310% (0.49   0.02   0.02) =   0.073%
          HA1   GLY  109 - HE3   TRP   49  15.55 +/- 2.81   1.734% *  0.3965% (0.84   0.02   0.02) =   0.020%
          HA    VAL  108 - HE3   TRP   49  15.90 +/- 2.51   1.949% *  0.3070% (0.65   0.02   0.02) =   0.018%
          HA    LYS+ 102 - HE3   TRP   49  28.45 +/- 4.99   0.747% *  0.0939% (0.20   0.02   0.02) =   0.002%
    Distance limit 5.50 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 = 3.57, residual support = 85.6:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  72.079% * 98.2289% (1.00   3.57  85.70) =  99.882%  kept
          HD2   HIS   22 - HE3   TRP   49  22.97 +/- 6.32   4.771% *  0.5401% (0.98   0.02   0.02) =   0.036%
          HN    THR   23 - HE3   TRP   49  21.63 +/- 5.57  11.024% *  0.2265% (0.41   0.02   0.02) =   0.035%
          QE    PHE   95 - HE3   TRP   49  12.79 +/- 2.05   8.720% *  0.2068% (0.38   0.02   0.02) =   0.025%
          HN    LEU   67 - HE3   TRP   49  21.79 +/- 4.45   2.937% *  0.4412% (0.80   0.02   0.02) =   0.018%
          HD21  ASN   35 - HE3   TRP   49  32.07 +/- 5.49   0.469% *  0.3565% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.70 A violated in 0 structures by 0.39 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 0.02, residual support = 45.0:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  42.921% * 16.7579% (0.84   0.02  85.70) =  52.484%  kept
          QE    PHE   95 - HH2   TRP   49  11.49 +/- 2.46  14.164% * 15.3326% (0.76   0.02   0.02) =  15.847%  kept
          HN    LEU   67 - HH2   TRP   49  21.52 +/- 5.19   9.738% * 20.0629% (1.00   0.02   0.02) =  14.256%  kept
          QD    PHE   55 - HH2   TRP   49  10.22 +/- 2.78  18.176% *  6.8436% (0.34   0.02   0.02) =   9.077%  kept
          HE3   TRP   27 - HH2   TRP   49  21.39 +/- 5.42  11.164% *  5.5782% (0.28   0.02   0.02) =   4.544%  kept
          HN    THR   23 - HH2   TRP   49  22.14 +/- 4.91   1.786% * 16.0651% (0.80   0.02   0.02) =   2.094%  kept
          HD2   HIS   22 - HH2   TRP   49  23.55 +/- 5.81   1.442% * 13.7814% (0.69   0.02   0.02) =   1.450%  kept
          HD21  ASN   35 - HH2   TRP   49  31.38 +/- 6.18   0.609% *  5.5782% (0.28   0.02   0.02) =   0.248%  kept
    Distance limit 4.59 A violated in 17 structures by 1.62 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.74, support = 4.2, residual support = 57.7:
          HA    TRP   49 - HD1   TRP   49   3.80 +/- 0.66  45.394% * 45.5334% (0.69   5.00  85.70) =  63.813%  kept
          HA    CYS   50 - HD1   TRP   49   5.63 +/- 0.86  19.036% * 41.0433% (0.87   3.57   4.73) =  24.121%  kept
          HA    ALA   47 - HD1   TRP   49   4.74 +/- 0.85  30.344% * 12.8488% (0.76   1.27  15.94) =  12.037%  kept
          HA    VAL  108 - HD1   TRP   49  14.92 +/- 2.93   3.005% *  0.1715% (0.65   0.02   0.02) =   0.016%
          HA1   GLY  109 - HD1   TRP   49  15.21 +/- 2.90   1.525% *  0.2214% (0.84   0.02   0.02) =   0.010%
          HA    CYS   21 - HD1   TRP   49  20.78 +/- 5.12   0.515% *  0.1290% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD1   TRP   49  27.05 +/- 3.64   0.182% *  0.0525% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.461, support = 0.728, residual support = 4.24:
          QD1   LEU   98 - HZ3   TRP   87  10.72 +/- 6.07  71.376% * 94.3960% (0.45   0.74   4.35) =  97.675%  kept
          QG2   ILE   19 - HZ3   TRP   87  18.09 +/- 5.64  28.624% *  5.6040% (0.99   0.02   0.02) =   2.325%  kept
    Distance limit 5.50 A violated in 11 structures by 4.98 A, kept.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 2.0, residual support = 4.34:
          QD1   ILE  103 - HZ3   TRP   87   9.40 +/- 6.51  29.479% * 42.7416% (0.65   2.13   4.38) =  57.528%  kept
          QG2   ILE  103 - HZ3   TRP   87  10.64 +/- 5.85  16.617% * 54.6860% (0.95   1.87   4.38) =  41.488%  kept
          QD1   LEU   67 - HZ3   TRP   87  15.07 +/- 3.74  11.545% *  0.5369% (0.87   0.02   0.02) =   0.283%  kept
          HG3   LYS+  74 - HZ3   TRP   87  17.69 +/- 4.03   8.584% *  0.6135% (0.99   0.02   0.02) =   0.240%  kept
          QD2   LEU   71 - HZ3   TRP   87  17.59 +/- 4.33   6.797% *  0.4731% (0.76   0.02   0.02) =   0.147%  kept
          QD2   LEU   40 - HZ3   TRP   87  15.51 +/- 4.90   5.771% *  0.5170% (0.84   0.02   0.02) =   0.136%  kept
          HB    VAL   75 - HZ3   TRP   87  13.27 +/- 3.90  16.186% *  0.1543% (0.25   0.02   0.02) =   0.114%  kept
          QG2   ILE  119 - HZ3   TRP   87  20.20 +/- 3.12   5.021% *  0.2775% (0.45   0.02   0.02) =   0.064%
    Distance limit 5.50 A violated in 10 structures by 2.66 A, kept.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.766, support = 0.852, residual support = 3.57:
          HG12  ILE  103 - HZ3   TRP   87  12.08 +/- 7.22  26.744% * 59.6188% (0.76   0.96   4.38) =  81.250%  kept
          QB    LYS+ 102 - HZ3   TRP   87  14.60 +/- 6.37   9.113% * 31.8626% (0.76   0.51   0.02) =  14.797%  kept
          HG2   PRO   93 - HZ3   TRP   87  16.45 +/- 2.69  13.648% *  1.5452% (0.95   0.02   0.02) =   1.075%  kept
          QB    LYS+  66 - HZ3   TRP   87  19.70 +/- 4.77  10.206% *  1.6190% (0.99   0.02   0.02) =   0.842%  kept
          HB    VAL   41 - HZ3   TRP   87  15.64 +/- 5.57  10.864% *  1.4649% (0.90   0.02   0.02) =   0.811%  kept
          QB    LYS+  65 - HZ3   TRP   87  19.52 +/- 3.76   7.879% *  1.0567% (0.65   0.02   0.02) =   0.424%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.64 +/- 4.12   9.598% *  0.7951% (0.49   0.02   0.02) =   0.389%  kept
          HB2   LEU   71 - HZ3   TRP   87  21.06 +/- 4.72   5.350% *  0.9907% (0.61   0.02   0.02) =   0.270%  kept
          HG    LEU  123 - HZ3   TRP   87  27.33 +/- 4.36   2.094% *  0.7951% (0.49   0.02   0.02) =   0.085%
          HB3   GLN   17 - HZ3   TRP   87  25.71 +/- 6.03   4.504% *  0.2520% (0.15   0.02   0.02) =   0.058%
    Distance limit 5.50 A violated in 12 structures by 3.59 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   2.73 +/- 0.72 100.000% *100.0000% (0.61   3.86  73.46) = 100.000%  kept
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (5.96, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 73.5:
        T HA    PHE   95 - QD    PHE   95   2.80 +/- 0.51 100.000% *100.0000% (0.98 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 5.19 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 = 1.92, residual support = 4.24:
          HA    ASP-  44 - QD    PHE   95   3.64 +/- 0.94  77.839% * 92.9512% (0.90   1.93   4.25) =  99.817%  kept
          HB    THR   77 - QD    PHE   95  10.92 +/- 1.80   4.244% *  0.8986% (0.84   0.02   0.02) =   0.053%
          HA    ILE  103 - QD    PHE   95  11.05 +/- 0.71   4.312% *  0.7812% (0.73   0.02   0.02) =   0.046%
          HA    SER   85 - QD    PHE   95  16.72 +/- 1.39   1.290% *  0.8986% (0.84   0.02   0.02) =   0.016%
          HA    LEU  104 - QD    PHE   95  11.98 +/- 0.76   3.322% *  0.2991% (0.28   0.02   0.02) =   0.014%
          HA    ASP-  86 - QD    PHE   95  17.28 +/- 2.10   1.228% *  0.7812% (0.73   0.02   0.02) =   0.013%
          HA1   GLY   51 - QD    PHE   95  13.70 +/- 1.72   3.338% *  0.2129% (0.20   0.02   0.02) =   0.010%
          HA    GLU-  14 - QD    PHE   95  20.07 +/- 1.87   0.696% *  0.6959% (0.65   0.02   0.02) =   0.007%
          HA    GLU-  79 - QD    PHE   95  15.57 +/- 1.67   1.308% *  0.3670% (0.34   0.02   0.02) =   0.007%
          HA    ALA   12 - QD    PHE   95  23.59 +/- 2.92   0.562% *  0.8222% (0.76   0.02   0.02) =   0.006%
          HA    THR   39 - QD    PHE   95  15.39 +/- 1.36   1.448% *  0.2991% (0.28   0.02   0.02) =   0.006%
          HA    MET   11 - QD    PHE   95  25.89 +/- 3.86   0.412% *  0.9931% (0.92   0.02   0.02) =   0.006%
    Distance limit 5.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.45 +/- 0.14 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.46) = 100.000%  kept
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.5:
      O T HB3   PHE   95 - QD    PHE   95   2.52 +/- 0.22  97.165% * 99.8712% (0.99  10.0 10.00   3.31  73.46) =  99.997%  kept
          HG2   GLN  116 - QD    PHE   95   9.01 +/- 1.03   2.552% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  25 - QD    PHE   95  20.18 +/- 2.72   0.283% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.917, support = 3.46, residual support = 43.5:
        T HB    VAL  107 - QD    PHE   95   2.98 +/- 0.76  58.822% * 95.5993% (0.92 10.00   3.50  44.08) =  98.517%  kept
          QE    LYS+ 112 - QD    PHE   95   7.22 +/- 2.64  22.270% *  2.0432% (0.53  1.00   0.75   3.48) =   0.797%  kept
          HB3   PHE   45 - QD    PHE   95   6.48 +/- 1.60  17.620% *  2.2164% (0.53  1.00   0.81   1.89) =   0.684%  kept
          QG    GLU-  79 - QD    PHE   95  13.96 +/- 1.63   0.946% *  0.0545% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  18.26 +/- 1.95   0.342% *  0.0865% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 0.716, support = 0.678, residual support = 2.45:
          HB3   ASP-  44 - QD    PHE   95   4.58 +/- 1.24  23.616% * 23.3558% (0.76   0.75   4.25) =  43.387%  kept
          HB2   LEU   63 - QD    PHE   95   6.93 +/- 2.54  12.829% * 22.0138% (0.65   0.84   2.33) =  22.214%  kept
          HB3   PRO   93 - QD    PHE   95   4.91 +/- 0.87  19.784% *  9.6643% (1.00   0.24   0.02) =  15.040%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.04 +/- 1.07   4.663% * 21.7844% (0.61   0.88   0.02) =   7.991%  kept
          HB    VAL   42 - QD    PHE   95   6.77 +/- 1.15   8.568% *  9.4327% (0.31   0.75   1.21) =   6.357%  kept
          HB3   LEU   73 - QD    PHE   95  10.17 +/- 2.97   9.502% *  5.1583% (0.38   0.34   0.02) =   3.856%  kept
          HG    LEU   98 - QD    PHE   95  11.21 +/- 1.57   1.509% *  4.8740% (0.97   0.12   0.02) =   0.579%  kept
          HB2   LYS+ 112 - QD    PHE   95   7.99 +/- 1.70   9.046% *  0.3967% (0.49   0.02   3.48) =   0.282%  kept
          HG2   LYS+ 111 - QD    PHE   95   8.65 +/- 1.65   5.172% *  0.2515% (0.31   0.02   0.12) =   0.102%  kept
          QB    ALA   84 - QD    PHE   95  12.18 +/- 1.23   1.173% *  0.8132% (1.00   0.02   0.02) =   0.075%
          QB    ALA  124 - QD    PHE   95  15.38 +/- 1.54   0.518% *  0.7309% (0.90   0.02   0.02) =   0.030%
          HG3   LYS+  65 - QD    PHE   95  12.17 +/- 2.19   1.322% *  0.2515% (0.31   0.02   0.02) =   0.026%
          HB3   LEU   80 - QD    PHE   95  15.23 +/- 3.20   0.772% *  0.4288% (0.53   0.02   0.02) =   0.026%
          HB2   LEU   31 - QD    PHE   95  16.00 +/- 2.66   0.704% *  0.3059% (0.38   0.02   0.02) =   0.017%
          HG3   LYS+ 102 - QD    PHE   95  16.24 +/- 1.08   0.444% *  0.3350% (0.41   0.02   0.02) =   0.012%
          HG3   LYS+  33 - QD    PHE   95  17.70 +/- 1.47   0.377% *  0.2032% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.19, residual support = 44.1:
        T QG2   VAL  107 - QD    PHE   95   2.16 +/- 0.45  95.514% * 99.7831% (0.99 10.00   4.19  44.08) =  99.996%  kept
          HG2   LYS+ 121 - QD    PHE   95  11.76 +/- 3.02   2.141% *  0.0873% (0.87  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QD    PHE   95  10.18 +/- 0.91   1.651% *  0.0806% (0.80  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    PHE   95  12.39 +/- 1.34   0.694% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.967, support = 1.55, residual support = 6.68:
        T QD2   LEU  115 - QD    PHE   95   4.83 +/- 1.15  28.034% * 82.8929% (0.99 10.00   1.44   7.67) =  82.136%  kept
          QD1   LEU   63 - QD    PHE   95   5.00 +/- 2.57  36.217% * 11.8142% (0.90  1.00   2.27   2.33) =  15.124%  kept
          QD1   LEU   73 - QD    PHE   95   9.34 +/- 2.97  16.321% *  2.5149% (0.90  1.00   0.48   0.02) =   1.451%  kept
          QD2   LEU   63 - QD    PHE   95   6.14 +/- 2.40  14.279% *  2.5242% (0.31  1.00   1.41   2.33) =   1.274%  kept
          QD1   LEU  104 - QD    PHE   95  10.14 +/- 1.03   1.979% *  0.0968% (0.84  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD    PHE   95  13.13 +/- 3.00   1.544% *  0.1136% (0.98  1.00   0.02   0.02) =   0.006%
          QG1   VAL   83 - QD    PHE   95  12.18 +/- 2.27   1.625% *  0.0435% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 5.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.749, residual support = 1.19:
        T QG1   VAL   42 - QD    PHE   95   4.12 +/- 1.44  59.325% * 89.0440% (0.65 10.00   0.75   1.21) =  97.618%  kept
          QB    ALA   64 - QD    PHE   95   7.52 +/- 1.37  13.584% *  8.0375% (0.53  1.00   0.83   0.11) =   2.018%  kept
        T QB    ALA   47 - QD    PHE   95   8.98 +/- 1.03   6.191% *  2.8051% (0.76 10.00   0.02   0.02) =   0.321%  kept
          HG2   LYS+ 112 - QD    PHE   95   7.98 +/- 2.03  20.900% *  0.1133% (0.31  1.00   0.02   3.48) =   0.044%
    Distance limit 4.97 A violated in 1 structures by 0.16 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 4.61, residual support = 15.6:
          HA    ILE  119 - HD2   HIS  122   2.42 +/- 0.90  76.051% * 58.6228% (0.73   4.70  17.70) =  83.370%  kept
          HA    THR  118 - HD2   HIS  122   4.85 +/- 0.38  21.895% * 40.6047% (0.57   4.17   5.06) =  16.625%  kept
          HD3   PRO   58 - HD2   HIS  122  11.74 +/- 2.20   0.901% *  0.1061% (0.31   0.02   0.02) =   0.002%
          HA    VAL   75 - HD2   HIS  122  17.48 +/- 2.05   0.378% *  0.1945% (0.57   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD2   HIS  122  16.99 +/- 1.79   0.461% *  0.0955% (0.28   0.02   0.02) =   0.001%
          HA    ALA   84 - HD2   HIS  122  23.52 +/- 2.80   0.194% *  0.1541% (0.45   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  23.59 +/- 2.46   0.121% *  0.2223% (0.65   0.02   0.02) =   0.001%
    Distance limit 5.23 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 = 3.88, residual support = 76.2:
      O T HB2   HIS  122 - HD2   HIS  122   3.90 +/- 0.20  94.209% * 99.7225% (0.49  10.0 10.00   3.88  76.25) =  99.993%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.38 +/- 0.92   3.142% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HD2   HIS  122  22.61 +/- 5.06   1.234% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  16.57 +/- 2.01   1.415% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.34 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 = 0.954, support = 4.28, residual support = 75.4:
      O T HB3   HIS  122 - HD2   HIS  122   2.97 +/- 0.27  76.047% * 86.0739% (0.97  10.0 10.00   4.27  76.25) =  96.149%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.72 +/- 1.06  18.911% * 13.8558% (0.69   1.0  1.00   4.52  54.55) =   3.849%  kept
          HG2   GLN   30 - HD2   HIS  122  18.91 +/- 4.42   4.428% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   HIS  122  22.36 +/- 3.53   0.614% *  0.0505% (0.57   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 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.657, support = 0.0756, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  13.75 +/- 4.36   6.501% * 41.8245% (0.65   0.16   0.02) =  40.550%  kept
          HB    ILE   56 - HD2   HIS  122  12.05 +/- 2.11  10.074% *  8.0696% (0.98   0.02   0.02) =  12.123%  kept
          HB3   PRO   58 - HD2   HIS  122  11.41 +/- 2.95  14.140% *  4.9933% (0.61   0.02   0.02) =  10.529%  kept
          HB3   GLN   30 - HD2   HIS  122  18.41 +/- 4.29   8.439% *  7.5996% (0.92   0.02   0.02) =   9.564%  kept
          HB3   ASP- 105 - HD2   HIS  122  11.32 +/- 6.35  22.064% *  2.8082% (0.34   0.02   0.02) =   9.240%  kept
          HG3   PRO   68 - HD2   HIS  122  11.79 +/- 3.92  18.906% *  2.0528% (0.25   0.02   0.02) =   5.788%  kept
          HB3   LYS+  38 - HD2   HIS  122  18.54 +/- 4.72   3.070% *  8.2143% (1.00   0.02   0.02) =   3.760%  kept
          HG2   ARG+  54 - HD2   HIS  122  17.76 +/- 2.21   4.914% *  2.5410% (0.31   0.02   0.02) =   1.862%  kept
          HB2   MET   92 - HD2   HIS  122  19.66 +/- 1.70   1.867% *  6.5921% (0.80   0.02   0.02) =   1.835%  kept
          HB    ILE  103 - HD2   HIS  122  17.30 +/- 6.03   5.010% *  2.2890% (0.28   0.02   0.02) =   1.710%  kept
          QB    LYS+  33 - HD2   HIS  122  18.77 +/- 3.53   3.104% *  3.6909% (0.45   0.02   0.02) =   1.708%  kept
          QB    LYS+  81 - HD2   HIS  122  24.35 +/- 3.29   0.986% *  4.9933% (0.61   0.02   0.02) =   0.734%  kept
          HB3   GLN   90 - HD2   HIS  122  25.23 +/- 1.51   0.924% *  4.3313% (0.53   0.02   0.02) =   0.597%  kept
    Distance limit 5.26 A violated in 11 structures by 1.63 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 = 0.893, support = 5.93, residual support = 53.4:
          HB2   LYS+ 121 - HD2   HIS  122   3.45 +/- 0.38  74.198% * 68.2470% (0.92   6.03  54.55) =  92.409%  kept
          HB2   LEU  123 - HD2   HIS  122   6.57 +/- 0.74  13.601% * 30.4639% (0.53   4.73  39.93) =   7.561%  kept
          QD    LYS+  65 - HD2   HIS  122  12.14 +/- 2.52   2.807% *  0.2318% (0.95   0.02   0.02) =   0.012%
          QD    LYS+  38 - HD2   HIS  122  17.09 +/- 4.50   1.056% *  0.2445% (1.00   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HD2   HIS  122  18.56 +/- 5.57   1.014% *  0.1873% (0.76   0.02   0.02) =   0.003%
          QB    ALA   57 - HD2   HIS  122  11.70 +/- 1.79   3.460% *  0.0378% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   93 - HD2   HIS  122  16.08 +/- 1.87   0.927% *  0.1388% (0.57   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  15.54 +/- 2.30   1.157% *  0.0920% (0.38   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  24.05 +/- 3.82   0.347% *  0.2402% (0.98   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HD2   HIS  122  16.57 +/- 1.74   0.878% *  0.0681% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  18.57 +/- 1.77   0.556% *  0.0485% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.16 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 = 0.837, support = 4.93, residual support = 54.3:
          HB3   LYS+ 121 - HD2   HIS  122   4.34 +/- 0.68  41.340% * 69.8391% (1.00   4.81  54.55) =  75.159%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.62 +/- 1.09  34.747% * 26.8648% (0.34   5.41  54.55) =  24.300%  kept
          HG    LEU  104 - HD2   HIS  122  14.16 +/- 6.59   7.847% *  2.2827% (1.00   0.16   0.02) =   0.466%  kept
          QD    LYS+  66 - HD2   HIS  122  10.45 +/- 3.75   9.216% *  0.2115% (0.73   0.02   0.02) =   0.051%
          HB3   LYS+ 111 - HD2   HIS  122  14.64 +/- 1.67   1.052% *  0.2811% (0.97   0.02   0.02) =   0.008%
          HD3   LYS+  74 - HD2   HIS  122  15.75 +/- 2.82   1.022% *  0.2756% (0.95   0.02   0.02) =   0.007%
          QG2   THR   26 - HD2   HIS  122  17.52 +/- 3.75   2.314% *  0.0649% (0.22   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HD2   HIS  122  13.10 +/- 2.37   1.812% *  0.0810% (0.28   0.02   0.02) =   0.004%
          HG2   LYS+  33 - HD2   HIS  122  19.65 +/- 4.06   0.650% *  0.0994% (0.34   0.02   0.02) =   0.002%
    Distance limit 5.28 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 = 0.214, support = 3.48, residual support = 16.8:
          QG2   ILE  119 - HD2   HIS  122   4.03 +/- 0.90  49.162% * 69.6108% (0.18  1.00   3.68  17.70) =  94.641%  kept
          QD1   LEU   67 - HD2   HIS  122  10.09 +/- 3.24  12.087% * 10.4007% (1.00  1.00   0.10   0.02) =   3.476%  kept
          QD2   LEU   40 - HD2   HIS  122   9.36 +/- 3.92  13.734% *  2.1625% (1.00  1.00   0.02   0.33) =   0.821%  kept
          QD2   LEU   71 - HD2   HIS  122  11.76 +/- 4.20  14.538% *  0.8890% (0.41  1.00   0.02   0.02) =   0.357%  kept
        T HB    VAL   75 - HD2   HIS  122  15.59 +/- 2.15   0.892% * 12.2432% (0.57 10.00   0.02   0.02) =   0.302%  kept
          QG2   ILE  103 - HD2   HIS  122  13.02 +/- 5.19   4.757% *  2.0870% (0.97  1.00   0.02   0.02) =   0.275%  kept
          QD1   ILE  103 - HD2   HIS  122  14.10 +/- 4.69   3.755% *  0.6675% (0.31  1.00   0.02   0.02) =   0.069%
          HG3   LYS+  74 - HD2   HIS  122  15.68 +/- 2.96   1.075% *  1.9394% (0.90  1.00   0.02   0.02) =   0.058%
    Distance limit 5.19 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 = 0.492, support = 4.5, residual support = 39.2:
          QD1   LEU  123 - HD2   HIS  122   4.64 +/- 1.14  42.115% * 52.2820% (0.49   4.70  39.93) =  81.780%  kept
          QD2   LEU  123 - HD2   HIS  122   6.99 +/- 0.67   9.917% * 44.2827% (0.49   3.98  39.93) =  16.311%  kept
          HB3   LEU  104 - HD2   HIS  122  13.28 +/- 6.44  15.309% *  2.9957% (0.84   0.16   0.02) =   1.703%  kept
          QD1   LEU   71 - HD2   HIS  122  12.20 +/- 4.20  15.635% *  0.2223% (0.49   0.02   0.02) =   0.129%  kept
          QG1   VAL   70 - HD2   HIS  122   9.07 +/- 3.53  14.400% *  0.1270% (0.28   0.02   0.02) =   0.068%
          QG1   VAL   18 - HD2   HIS  122  12.49 +/- 2.20   2.624% *  0.0904% (0.20   0.02   0.02) =   0.009%
    Distance limit 5.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.38, residual support = 5.06:
        T QG2   THR  118 - HD2   HIS  122   3.35 +/- 0.28 100.000% *100.0000% (0.69 10.00   1.38   5.06) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.00 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 = 0.863, support = 1.5, residual support = 19.5:
          HB3   LEU   73 - HE3   TRP   27   5.73 +/- 2.85  22.425% * 46.9196% (0.94   1.67  26.23) =  73.330%  kept
          HB    VAL   42 - HE3   TRP   27   9.79 +/- 2.46   7.103% * 31.8868% (0.97   1.10   0.44) =  15.785%  kept
          HG3   LYS+  65 - HN    LEU   67   5.71 +/- 0.98  15.648% *  4.4798% (0.15   0.99   0.41) =   4.886%  kept
          HB2   LEU   80 - HE3   TRP   27  13.80 +/- 6.93   8.806% *  4.8529% (0.17   0.94   7.34) =   2.978%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.86 +/- 1.56   5.048% *  7.0941% (0.31   0.78   0.02) =   2.496%  kept
          HG3   LYS+  33 - HE3   TRP   27   9.15 +/- 1.41   3.589% *  0.5913% (0.99   0.02   0.02) =   0.148%  kept
          QB    LEU   98 - HE3   TRP   27   9.92 +/- 2.68   3.582% *  0.3355% (0.56   0.02   0.02) =   0.084%
          HG3   LYS+  65 - HE3   TRP   27  14.68 +/- 2.99   1.281% *  0.5809% (0.97   0.02   0.02) =   0.052%
          QB    ALA   12 - HE3   TRP   27  14.99 +/- 3.88   1.385% *  0.4950% (0.83   0.02   0.02) =   0.048%
          HB    VAL   42 - HN    LEU   67   8.84 +/- 2.14   5.551% *  0.0904% (0.15   0.02   0.02) =   0.035%
          HG3   LYS+ 106 - HE3   TRP   27  15.59 +/- 2.74   0.747% *  0.4529% (0.76   0.02   0.02) =   0.024%
          HG3   LYS+ 102 - HE3   TRP   27  17.45 +/- 3.43   0.584% *  0.5470% (0.91   0.02   0.02) =   0.022%
          HG    LEU   98 - HE3   TRP   27  11.07 +/- 3.00   3.059% *  0.0802% (0.13   0.02   0.02) =   0.017%
          QB    ALA   84 - HE3   TRP   27  14.38 +/- 4.44   1.706% *  0.1173% (0.20   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - HE3   TRP   27  21.06 +/- 3.89   0.383% *  0.5140% (0.86   0.02   0.02) =   0.014%
          HD3   LYS+ 121 - HE3   TRP   27  19.93 +/- 4.83   0.900% *  0.1648% (0.28   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    LEU   67  12.14 +/- 1.16   1.379% *  0.0872% (0.15   0.02   0.02) =   0.008%
          HB3   PRO   93 - HE3   TRP   27  16.22 +/- 2.72   0.888% *  0.1319% (0.22   0.02   0.02) =   0.008%
          QB    LEU   98 - HN    LEU   67  13.38 +/- 3.11   2.204% *  0.0522% (0.09   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LEU   67  10.30 +/- 2.11   3.554% *  0.0285% (0.05   0.02   0.02) =   0.007%
          HG3   LYS+  33 - HN    LEU   67  16.05 +/- 2.23   0.874% *  0.0920% (0.15   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    LEU   67  16.53 +/- 3.11   0.953% *  0.0770% (0.13   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    LEU   67  14.67 +/- 3.95   3.658% *  0.0125% (0.02   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    LEU   67  17.28 +/- 2.44   0.538% *  0.0800% (0.13   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   67  17.72 +/- 3.43   0.583% *  0.0705% (0.12   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    LEU   67  14.58 +/- 3.65   1.457% *  0.0256% (0.04   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LEU   67  21.73 +/- 4.16   0.287% *  0.0851% (0.14   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LEU   67  14.98 +/- 2.18   0.914% *  0.0205% (0.03   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  17.98 +/- 2.08   0.462% *  0.0182% (0.03   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  19.13 +/- 2.86   0.452% *  0.0161% (0.03   0.02   0.02) =   0.001%
    Distance limit 5.48 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :     77
      with multiple volume contributions     :    127
      eliminated by violation filter         :      8
 
    Peaks:
      selected                               :    244
      without assignment                     :     21
      with assignment                        :    223
      with unique assignment                 :    106
      with multiple assignment               :    117
      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             :    191
 
    Atoms with eliminated volume contribution > 2.5: